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Isoform RRp41 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 Q99PL5-4 (canonical: Q99PL5), Species MOUSE (Mus musculus, Mouse), Gene Rrbp1, Length 641 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
1M50.9Low68.7Low222 Ų222123.4 Ų123.4100%1.09465%0.649SS**  0104.70-97.456.2173.500107.9I3M1-I3 WeakPolarHBondContact O-CG1 3.47Å; M1-I3 PolarHBondContact O-N 3.21Å
2D56.7Low69.9Low143 Ų143121.9 Ų121.977%0.76565%0.649SS**  trans-69.397179.5-69.6-70.9000110.7Y4 D5D2-Y4 PolarHBondContact O-N 3.05Å; D2-Y4 VanDerWaalsContact O-N 3.13Å; D2-D5 PolarHBondContact O-N 3.41Å
3I60.2Low71.1Confident140 Ų140120.2 Ų120.272%0.71865%0.645SS**THydrogen-bonded Turntrans-67.5-4.8172.2-35.6177.5000110.7M1M1-I3 WeakPolarHBondContact O-CG1 3.47Å; M1-I3 PolarHBondContact O-N 3.21Å
4Y63.8Low72.1Confident198 Ų198121.8 Ų121.878%0.77664%0.644SS**THydrogen-bonded Turntrans-111.918.8-176.5-73-83.8000113.8D2 T6D2-Y4 PolarHBondContact O-N 3.05Å; D2-Y4 VanDerWaalsContact O-N 3.13Å; Y4-T6 PolarHBondContact O-N 3.23Å
5D70.4Confident73.1Confident75 Ų75115.9 Ų115.940%0.40162%0.624SS.*  trans-63.1126.7168.117826.8000109.7D2 Q7 T8 L9D2-D5 PolarHBondContact O-N 3.41Å; D5-Q7 PolarHBondContact O-N 3.27Å; D5-Q7 VanDerWaalsContact O-N 3.16Å; D5-Q7 PolarHBondContact OD1-N 3.41Å; D5-T8 WeakPolarHBondContact CB-OG1 2.96Å; D5-T8 PolarHBondContact O-N 3.06Å; D5-T8 VanDerWaalsContact O-N 3.13Å; D5-T8 PolarHBondContact O-OG1 3.31Å; D5-L9 PolarHBondContact O-N 3.13Å
6T69.2Low74.2Confident119 Ų119111 Ų11173%0.7361%0.609SS**Hα-helixtrans-63.3-26.6-173.4-50.70000111Y4 G10Y4-T6 PolarHBondContact O-N 3.23Å; T6-G10 PolarHBondContact O-N 2.66Å; T6-G10 VanDerWaalsContact O-N 3.11Å
7Q73.5Confident75.2Confident153 Ų153112.6 Ų112.672%0.71561%0.609SS**Hα-helixtrans-69.9-48.3172.9-81.3-169.73.600112.9D5 G10 V11D5-Q7 PolarHBondContact O-N 3.27Å; D5-Q7 VanDerWaalsContact O-N 3.16Å; D5-Q7 PolarHBondContact OD1-N 3.41Å; Q7-G10 WeakPolarHBondContact O-CA 3.38Å; Q7-G10 PolarHBondContact O-N 3.46Å; Q7-G10 VanDerWaalsContact O-N 3.14Å; Q7-V11 WeakPolarHBondContact O-CG2 3.46Å; Q7-V11 PolarHBondContact O-N 3.12Å
8T75.4Confident76.2Confident67 Ų67113.3 Ų113.341%0.41161%0.609SS.*Hα-helixtrans-65.2-41.3179.943.40000111.3D5 G10 V11 V12D5-T8 WeakPolarHBondContact CB-OG1 2.96Å; D5-T8 PolarHBondContact O-N 3.06Å; D5-T8 VanDerWaalsContact O-N 3.13Å; D5-T8 PolarHBondContact O-OG1 3.31Å; T8-G10 VanDerWaalsContact C-N 3.26Å; T8-G10 PolarHBondContact O-N 3.23Å; T8-V11 PolarHBondContact O-N 3.24Å; T8-V11 VanDerWaalsContact O-N 3.14Å; T8-V12 WeakPolarHBondContact O-CG2 3.13Å; T8-V12 PolarHBondContact O-N 3.24Å
9L77.3Confident77.1Confident95 Ų95112.1 Ų112.150%0.49761%0.606SS.*Hα-helixtrans-59.1-40.4172.9-158.480000111.3D5 V12 V13D5-L9 PolarHBondContact O-N 3.13Å; L9-V12 PolarHBondContact O-N 3.12Å; L9-V13 WeakPolarHBondContact O-CB 3.4Å; L9-V13 VanDerWaalsContact O-CG2 3.26Å; L9-V13 WeakPolarHBondContact O-CG2 3.27Å; L9-V13 PolarHBondContact O-N 3.21Å
10G76.6Confident78Confident37 Ų37111.5 Ų111.538%0.38161%0.606SS.*Hα-helixtrans-60-45.9173.800000112.8T6 Q7 T8 F14T6-G10 PolarHBondContact O-N 2.66Å; T6-G10 VanDerWaalsContact O-N 3.11Å; Q7-G10 WeakPolarHBondContact O-CA 3.38Å; Q7-G10 PolarHBondContact O-N 3.46Å; Q7-G10 VanDerWaalsContact O-N 3.14Å; T8-G10 VanDerWaalsContact C-N 3.26Å; T8-G10 PolarHBondContact O-N 3.23Å; G10-F14 WeakPolarHBondContact O-CB 3.43Å; G10-F14 PolarHBondContact O-N 2.75Å
11V81.2Confident78.6Confident108 Ų108108.1 Ų108.166%0.65559%0.591SS**Hα-helixtrans-66.2-41.3178.21760000111.5Q7 T8 G15Q7-V11 WeakPolarHBondContact O-CG2 3.46Å; Q7-V11 PolarHBondContact O-N 3.12Å; T8-V11 PolarHBondContact O-N 3.24Å; T8-V11 VanDerWaalsContact O-N 3.14Å; V11-G15 WeakPolarHBondContact O-CA 3.33Å; V11-G15 PolarHBondContact O-N 3.43Å
12V83.5Confident80.7Confident106 Ų106100.3 Ų100.364%0.64256%0.561SS**Hα-helixtrans-65.2-45.5178.2173.80000111.2T8 L9 G16T8-V12 WeakPolarHBondContact O-CG2 3.13Å; T8-V12 PolarHBondContact O-N 3.24Å; L9-V12 PolarHBondContact O-N 3.12Å; V12-G16 PolarHBondContact O-N 2.87Å
13V85.7Confident82.5Confident99 Ų9998 Ų9860%0.655%0.548SS*.Hα-helixtrans-66.8-44.6178.6173.70000111.1L9 F17L9-V13 WeakPolarHBondContact O-CB 3.4Å; L9-V13 VanDerWaalsContact O-CG2 3.26Å; L9-V13 WeakPolarHBondContact O-CG2 3.27Å; L9-V13 PolarHBondContact O-N 3.21Å; V13-F17 VanDerWaalsContact O-CB 3.31Å; V13-F17 WeakPolarHBondContact O-CB 2.86Å; V13-F17 PolarHBondContact O-N 3.04Å
14F84.9Confident84.1Confident143 Ų14392.9 Ų92.963%0.62753%0.53SS*.Hα-helixtrans-72.1-39.3-177.8-146-90.8000112.2G10 M18G10-F14 WeakPolarHBondContact O-CB 3.43Å; G10-F14 PolarHBondContact O-N 2.75Å; F14-M18 WeakPolarHBondContact O-CB 3.46Å; F14-M18 PolarHBondContact O-N 2.9Å
15G87.2Confident85.3Confident34 Ų3489 Ų8935%0.35152%0.522SS..Hα-helixtrans-64.9-4717400000111.9V11 F17 M18 V19V11-G15 WeakPolarHBondContact O-CA 3.33Å; V11-G15 PolarHBondContact O-N 3.43Å; G15-F17 PolarHBondContact O-N 2.89Å; G15-M18 WeakPolarHBondContact O-CB 3.31Å; G15-M18 PolarHBondContact O-N 2.79Å; G15-V19 WeakPolarHBondContact O-CG2 3.44Å; G15-V19 PolarHBondContact O-N 3.1Å; G15-V19 VanDerWaalsContact O-N 3.08Å
16G90.1Very high86.2Confident37 Ų3792 Ų9238%0.38153%0.531SS..Hα-helixtrans-59.5-44.5175.200000112.4V12 M18 V19 V20V12-G16 PolarHBondContact O-N 2.87Å; G16-M18 VanDerWaalsContact C-N 3.34Å; G16-M18 PolarHBondContact O-N 3.03Å; G16-V19 PolarHBondContact O-N 3.18Å; G16-V20 WeakPolarHBondContact O-CG2 3.27Å; G16-V20 PolarHBondContact O-N 2.99Å
17F91.9Very high87Confident138 Ų13891.3 Ų91.361%0.60552%0.523SS*.Hα-helixtrans-62.5-38.8176.1-175.9-100.2000112.8V13 G15 S21V13-F17 VanDerWaalsContact O-CB 3.31Å; V13-F17 WeakPolarHBondContact O-CB 2.86Å; V13-F17 PolarHBondContact O-N 3.04Å; G15-F17 PolarHBondContact O-N 2.89Å; F17-S21 WeakPolarHBondContact CE1-OG 3.44Å; F17-S21 VanDerWaalsContact O-CB 3.26Å; F17-S21 WeakPolarHBondContact O-CB 3.36Å; F17-S21 PolarHBondContact O-N 2.95Å; F17-S21 PolarHBondContact O-OG 2.99Å
18M93.9Very high87.5Confident126 Ų12688.5 Ų88.562%0.62152%0.516SS*.Hα-helixtrans-60.8-44.6174.8-90.7-95.9154.900112F14 G15 G16 S21 A22F14-M18 WeakPolarHBondContact O-CB 3.46Å; F14-M18 PolarHBondContact O-N 2.9Å; G15-M18 WeakPolarHBondContact O-CB 3.31Å; G15-M18 PolarHBondContact O-N 2.79Å; G16-M18 VanDerWaalsContact C-N 3.34Å; G16-M18 PolarHBondContact O-N 3.03Å; M18-S21 PolarHBondContact O-N 2.88Å; M18-A22 WeakPolarHBondContact O-CB 3.31Å; M18-A22 PolarHBondContact O-N 2.83Å
19V92.9Very high87.6Confident89 Ų8988.4 Ų88.454%0.53952%0.518SS..Hα-helixtrans-66.2-47.1179.1176.10000111.5G15 G16 S21 A22 I23G15-V19 WeakPolarHBondContact O-CG2 3.44Å; G15-V19 PolarHBondContact O-N 3.1Å; G15-V19 VanDerWaalsContact O-N 3.08Å; G16-V19 PolarHBondContact O-N 3.18Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 2.76Å; V19-A22 PolarHBondContact O-N 3.48Å; V19-I23 HydrophobicContact CG1-CD1 4.05Å; V19-I23 WeakPolarHBondContact O-CG1 3.4Å; V19-I23 PolarHBondContact O-N 2.96Å
20V94.1Very high87.6Confident101 Ų10186.8 Ų86.861%0.61251%0.512SS*.Hα-helixtrans-62.3-39.3178.11760000111.1G16 I23 G24G16-V20 WeakPolarHBondContact O-CG2 3.27Å; G16-V20 PolarHBondContact O-N 2.99Å; V20-I23 PolarHBondContact O-N 3.18Å; V20-G24 PolarHBondContact O-N 3.08Å
21S92.3Very high87.2Confident40 Ų4092.8 Ų92.828%0.2853%0.528SS..Hα-helixtrans-64.3-42.2175.9-59.40000111.8F17 M18 V19 I23 G24 I25F17-S21 WeakPolarHBondContact CE1-OG 3.44Å; F17-S21 VanDerWaalsContact O-CB 3.26Å; F17-S21 WeakPolarHBondContact O-CB 3.36Å; F17-S21 PolarHBondContact O-N 2.95Å; F17-S21 PolarHBondContact O-OG 2.99Å; M18-S21 PolarHBondContact O-N 2.88Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 2.76Å; S21-I23 PolarHBondContact O-N 3.43Å; S21-G24 PolarHBondContact O-N 2.98Å; S21-I25 WeakPolarHBondContact O-CD1 3.39Å; S21-I25 VanDerWaalsContact O-CG1 3.23Å; S21-I25 WeakPolarHBondContact O-CG1 3.37Å; S21-I25 PolarHBondContact O-N 3.44Å
22A94.4Very high86.6Confident58 Ų5891.8 Ų91.848%0.47953%0.526SS..Hα-helixtrans-62.1-42.9177.800000112M18 V19 I25 F26M18-A22 WeakPolarHBondContact O-CB 3.31Å; M18-A22 PolarHBondContact O-N 2.83Å; V19-A22 PolarHBondContact O-N 3.48Å; A22-I25 PolarHBondContact O-N 3.01Å; A22-F26 WeakPolarHBondContact O-CB 3.02Å; A22-F26 PolarHBondContact O-N 2.94Å
23I93.8Very high85.5Confident94 Ų9494.4 Ų94.448%0.48253%0.533SS..Hα-helixtrans-63.6-44.2175.3-64.7166.3000110.7V19 V20 S21 I25 F26 L27V19-I23 HydrophobicContact CG1-CD1 4.05Å; V19-I23 WeakPolarHBondContact O-CG1 3.4Å; V19-I23 PolarHBondContact O-N 2.96Å; V20-I23 PolarHBondContact O-N 3.18Å; S21-I23 PolarHBondContact O-N 3.43Å; I23-I25 VanDerWaalsContact C-N 3.33Å; I23-I25 PolarHBondContact O-N 3.46Å; I23-F26 PolarHBondContact O-N 3.12Å; I23-L27 HydrophobicContact CG2-CD1 4.09Å; I23-L27 HydrophobicContact CG2-CG 4.39Å; I23-L27 WeakPolarHBondContact O-CG 3.37Å; I23-L27 PolarHBondContact O-N 3.29Å
24G93.9Very high84Confident34 Ų3498.1 Ų98.135%0.35154%0.541SS..Hα-helixtrans-59.8-41.7178.100000113V20 S21 L27 V28V20-G24 PolarHBondContact O-N 3.08Å; S21-G24 PolarHBondContact O-N 2.98Å; G24-L27 PolarHBondContact O-N 3.47Å; G24-V28 WeakPolarHBondContact O-CG2 3.47Å; G24-V28 PolarHBondContact O-N 3.13Å
25I88.4Confident82.8Confident117 Ų11799.3 Ų99.360%0.655%0.548SS*.Hα-helixtrans-67.6-40.7176.5-60.7159.8000110.5S21 A22 I23 L27 V28 S29S21-I25 WeakPolarHBondContact O-CD1 3.39Å; S21-I25 VanDerWaalsContact O-CG1 3.23Å; S21-I25 WeakPolarHBondContact O-CG1 3.37Å; S21-I25 PolarHBondContact O-N 3.44Å; A22-I25 PolarHBondContact O-N 3.01Å; I23-I25 VanDerWaalsContact C-N 3.33Å; I23-I25 PolarHBondContact O-N 3.46Å; I25-L27 PolarHBondContact O-N 2.79Å; I25-V28 PolarHBondContact O-N 2.84Å; I25-S29 VanDerWaalsContact O-CB 3.25Å; I25-S29 WeakPolarHBondContact O-CB 3.39Å; I25-S29 PolarHBondContact O-N 2.81Å
26F89.5Confident81.4Confident137 Ų137102.6 Ų102.660%0.60156%0.562SS**Hα-helixtrans-61.8-42.9177.4-177.2-98.6000111.9A22 I23 S29 T30A22-F26 WeakPolarHBondContact O-CB 3.02Å; A22-F26 PolarHBondContact O-N 2.94Å; I23-F26 PolarHBondContact O-N 3.12Å; F26-S29 PolarHBondContact O-N 2.83Å; F26-T30 HydrophobicContact CD1-CG2 4.26Å; F26-T30 HydrophobicContact CD2-CG2 4.47Å; F26-T30 HydrophobicContact CE1-CG2 3.84Å; F26-T30 HydrophobicContact CE2-CG2 4.07Å; F26-T30 HydrophobicContact CZ-CG2 3.74Å; F26-T30 WeakPolarHBondContact O-CB 3.42Å; F26-T30 WeakPolarHBondContact O-CG2 3.25Å; F26-T30 PolarHBondContact O-N 3.43Å; F26-T30 PolarHBondContact O-OG1 2.92Å
27L86.5Confident80.2Confident104 Ų104104.4 Ų104.455%0.54557%0.569SS.*Hα-helixtrans-66-44.1177-69.3175.8000112.2I23 G24 I25 S29 T30 F31I23-L27 HydrophobicContact CG2-CD1 4.09Å; I23-L27 HydrophobicContact CG2-CG 4.39Å; I23-L27 WeakPolarHBondContact O-CG 3.37Å; I23-L27 PolarHBondContact O-N 3.29Å; G24-L27 PolarHBondContact O-N 3.47Å; I25-L27 PolarHBondContact O-N 2.79Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 2.92Å; L27-T30 WeakPolarHBondContact CA-OG1 3.32Å; L27-T30 PolarHBondContact O-N 3.13Å; L27-T30 PolarHBondContact O-OG1 2.92Å; L27-T30 VanDerWaalsContact O-OG1 3.08Å; L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.5Å; L27-F31 PolarHBondContact O-N 2.87Å
28V83.9Confident78.8Confident94 Ų94106.8 Ų106.857%0.5758%0.575SS**Hα-helixtrans-61.9-44.5174.7164.50000110.8G24 I25 T30 F31 S32G24-V28 WeakPolarHBondContact O-CG2 3.47Å; G24-V28 PolarHBondContact O-N 3.13Å; I25-V28 PolarHBondContact O-N 2.84Å; V28-T30 PolarHBondContact O-N 2.95Å; V28-F31 PolarHBondContact O-N 2.88Å; V28-S32 WeakPolarHBondContact O-CB 3.07Å; V28-S32 PolarHBondContact O-N 2.95Å; V28-S32 PolarHBondContact O-OG 2.92Å; V28-S32 VanDerWaalsContact O-OG 3.11Å
29S77.2Confident77.7Confident66 Ų66108 Ų10846%0.46258%0.579SS.*Hα-helixtrans-66.9-38.2-178.4-159.90000112.4I25 F26 L27 M33I25-S29 VanDerWaalsContact O-CB 3.25Å; I25-S29 WeakPolarHBondContact O-CB 3.39Å; I25-S29 PolarHBondContact O-N 2.81Å; F26-S29 PolarHBondContact O-N 2.83Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 2.92Å; S29-M33 WeakPolarHBondContact O-CG 3.39Å; S29-M33 PolarHBondContact O-N 2.86Å
30T77.2Confident76.7Confident60 Ų60109.1 Ų109.137%0.36858%0.579SS.*Hα-helixtrans-73-34.8176.745.70000112.1F26 L27 V28F26-T30 HydrophobicContact CD1-CG2 4.26Å; F26-T30 HydrophobicContact CD2-CG2 4.47Å; F26-T30 HydrophobicContact CE1-CG2 3.84Å; F26-T30 HydrophobicContact CE2-CG2 4.07Å; F26-T30 HydrophobicContact CZ-CG2 3.74Å; F26-T30 WeakPolarHBondContact O-CB 3.42Å; F26-T30 WeakPolarHBondContact O-CG2 3.25Å; F26-T30 PolarHBondContact O-N 3.43Å; F26-T30 PolarHBondContact O-OG1 2.92Å; L27-T30 WeakPolarHBondContact CA-OG1 3.32Å; L27-T30 PolarHBondContact O-N 3.13Å; L27-T30 PolarHBondContact O-OG1 2.92Å; L27-T30 VanDerWaalsContact O-OG1 3.08Å; V28-T30 PolarHBondContact O-N 2.95Å
31F69Low75.8Confident164 Ų164107 Ų10772%0.71957%0.572SS**Hα-helixtrans-75.3-38178.4-146.5-97000112.5L27 V28 M33 K34L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.5Å; L27-F31 PolarHBondContact O-N 2.87Å; V28-F31 PolarHBondContact O-N 2.88Å; F31-M33 PolarHBondContact O-N 3.07Å; F31-K34 PolarHBondContact O-N 2.89Å
32S68.6Low75.2Confident86 Ų86108 Ų10860%0.60157%0.574SS**Hα-helixtrans-65.1-19175-68.70000113.5V28 K34V28-S32 WeakPolarHBondContact O-CB 3.07Å; V28-S32 PolarHBondContact O-N 2.95Å; V28-S32 PolarHBondContact O-OG 2.92Å; V28-S32 VanDerWaalsContact O-OG 3.11Å; S32-K34 VanDerWaalsContact C-N 3.32Å; S32-K34 PolarHBondContact O-N 2.86Å
33M61.3Low74.5Confident161 Ų161108 Ų10879%0.79357%0.574SS**THydrogen-bonded Turntrans-82.3-1.6177.6-76.9174131.300114.4S29 F31S29-M33 WeakPolarHBondContact O-CG 3.39Å; S29-M33 PolarHBondContact O-N 2.86Å; F31-M33 PolarHBondContact O-N 3.07Å
34K53.2Low73.9Confident178 Ų178108.2 Ų108.277%0.77458%0.575SS**THydrogen-bonded Turntrans-103.90.7179.5-82.4-175.372.4174.30115.6F31 S32 T36F31-K34 PolarHBondContact O-N 2.89Å; S32-K34 VanDerWaalsContact C-N 3.32Å; S32-K34 PolarHBondContact O-N 2.86Å; K34-T36 PolarHBondContact O-N 2.91Å; K34-T36 VanDerWaalsContact O-N 3.08Å
35E59.2Low73.1Confident167 Ų167111.7 Ų111.778%0.7858%0.583SS**  trans-80.593.4170.7-62.7-162.716000109S37E35-S37 PolarHBondContact O-N 2.98Å
36T57.7Low72.7Confident103 Ų103114.7 Ų114.763%0.63259%0.586SS**  trans-42.3113.7158.938.40000108.1K34 Y38K34-T36 PolarHBondContact O-N 2.91Å; K34-T36 VanDerWaalsContact O-N 3.08Å; T36-Y38 PolarHBondContact O-N 3.11Å
37S64.8Low72.3Confident76 Ų76114 Ų11453%0.53158%0.583SS.*  trans-55137.4-177.2178.60000109.2E35 E39 E40 A41E35-S37 PolarHBondContact O-N 2.98Å; S37-E39 PolarHBondContact O-N 2.86Å; S37-E40 WeakPolarHBondContact O-CA 3.48Å; S37-E40 WeakPolarHBondContact O-CB 3.38Å; S37-E40 PolarHBondContact O-N 3.11Å; S37-A41 PolarHBondContact O-N 2.91Å
38Y64Low71.9Confident187 Ų187115.5 Ų115.573%0.73359%0.587SS**Hα-helixtrans-50.1-31.1-179177.4-98.5000113.4T36 L42T36-Y38 PolarHBondContact O-N 3.11Å; Y38-L42 HydrophobicContact CD1-CD1 4.49Å; Y38-L42 HydrophobicContact CE1-CD1 3.82Å; Y38-L42 PolarHBondContact O-N 3.25Å
39E69.3Low71.4Confident152 Ų152116.8 Ų116.871%0.7159%0.589SS**Hα-helixtrans-63.2-37.6173-87.2-84.115100113.4S37 A43S37-E39 PolarHBondContact O-N 2.86Å; E39-A43 PolarHBondContact O-N 3.31Å; E39-A43 VanDerWaalsContact O-N 3.17Å
40E73Confident71.3Confident113 Ų113116.5 Ų116.553%0.52859%0.591SS.*Hα-helixtrans-73.4-37.5-179-167.5178.8-179.100112S37 L42 A43 N44S37-E40 WeakPolarHBondContact O-CA 3.48Å; S37-E40 WeakPolarHBondContact O-CB 3.38Å; S37-E40 PolarHBondContact O-N 3.11Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.14Å; E40-A43 PolarHBondContact O-N 3.29Å; E40-N44 PolarHBondContact O-N 3.03Å
41A75.8Confident71Confident56 Ų56120.5 Ų120.546%0.46360%0.603SS.*Hα-helixtrans-62.5-39.8175.100000111.5S37 A43 N44 Q45S37-A41 PolarHBondContact O-N 2.91Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A41-N44 PolarHBondContact O-N 2.89Å; A41-Q45 PolarHBondContact O-N 3.13Å
42L78.3Confident70.7Confident62 Ų62117 Ų11733%0.32560%0.595SS.*Hα-helixtrans-67.3-34.6176.9-127.9129000112Y38 E40 R46Y38-L42 HydrophobicContact CD1-CD1 4.49Å; Y38-L42 HydrophobicContact CE1-CD1 3.82Å; Y38-L42 PolarHBondContact O-N 3.25Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.14Å; L42-R46 WeakPolarHBondContact O-CG 3.34Å; L42-R46 PolarHBondContact O-N 3.16Å
43A80.6Confident70.2Confident58 Ų58120.7 Ų120.748%0.47960%0.602SS.*Hα-helixtrans-68.7-42.1173.800000112.1E39 E40 A41 R46 K47E39-A43 PolarHBondContact O-N 3.31Å; E39-A43 VanDerWaalsContact O-N 3.17Å; E40-A43 PolarHBondContact O-N 3.29Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A43-R46 PolarHBondContact O-N 3.14Å; A43-K47 PolarHBondContact O-N 3.35Å; A43-K47 VanDerWaalsContact O-N 3.09Å
44N79.9Confident69.9Low97 Ų97120.5 Ų120.552%0.51960%0.599SS.*Hα-helixtrans-67.7-39.4179.2-111.1-9.9000112.4E40 A41 R46 K47 E48E40-N44 PolarHBondContact O-N 3.03Å; A41-N44 PolarHBondContact O-N 2.89Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 2.94Å; N44-K47 WeakPolarHBondContact O-CB 3.32Å; N44-K47 PolarHBondContact O-N 3.14Å; N44-K47 VanDerWaalsContact O-N 3.14Å; N44-E48 WeakPolarHBondContact O-CB 3.37Å; N44-E48 PolarHBondContact O-N 2.98Å
45Q78.4Confident70Confident108 Ų108119.6 Ų119.651%0.50560%0.598SS.*Hα-helixtrans-60.9-41.2176.7-162.9-163.931.900112A41 E48 M49A41-Q45 PolarHBondContact O-N 3.13Å; Q45-E48 PolarHBondContact O-N 2.82Å; Q45-M49 HydrophobicContact CG-CE 4.2Å; Q45-M49 WeakPolarHBondContact O-CG 3.36Å; Q45-M49 PolarHBondContact O-N 3.38Å
46R80Confident69.4Low179 Ų179120.6 Ų120.668%0.67560%0.599SS**Hα-helixtrans-65-39.9174.8-71.3178.4179.3168.72.3112.1L42 A43 N44 E48 A50L42-R46 WeakPolarHBondContact O-CG 3.34Å; L42-R46 PolarHBondContact O-N 3.16Å; A43-R46 PolarHBondContact O-N 3.14Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 2.94Å; R46-E48 VanDerWaalsContact C-N 3.32Å; R46-A50 PolarHBondContact O-N 2.79Å
47K81.1Confident69Low124 Ų124118.3 Ų118.354%0.53960%0.597SS.*Hα-helixtrans-66.3-35.1177-166.7178-176.8179.90111.9A43 N44 K51A43-K47 PolarHBondContact O-N 3.35Å; A43-K47 VanDerWaalsContact O-N 3.09Å; N44-K47 WeakPolarHBondContact O-CB 3.32Å; N44-K47 PolarHBondContact O-N 3.14Å; N44-K47 VanDerWaalsContact O-N 3.14Å; K47-K51 WeakPolarHBondContact O-CG 3.42Å; K47-K51 PolarHBondContact O-N 3.02Å
48E78.6Confident68.2Low134 Ų134122.3 Ų122.363%0.62661%0.607SS**Hα-helixtrans-73.1-43.5178.4-158.8-176.2160.700111.9N44 Q45 R46 A50 K51 T52N44-E48 WeakPolarHBondContact O-CB 3.37Å; N44-E48 PolarHBondContact O-N 2.98Å; Q45-E48 PolarHBondContact O-N 2.82Å; R46-E48 VanDerWaalsContact C-N 3.32Å; E48-A50 VanDerWaalsContact C-N 3.27Å; E48-A50 PolarHBondContact O-N 3.36Å; E48-K51 PolarHBondContact O-N 2.85Å; E48-K51 VanDerWaalsContact O-N 3.11Å; E48-T52 PolarHBondContact O-N 2.82Å
49M73Confident67.4Low121 Ų121122.4 Ų122.460%0.59661%0.611SS**Hα-helixtrans-62.3-32.4174.3-68.9-155.3-154.200113.1Q45 K51 T52Q45-M49 HydrophobicContact CG-CE 4.2Å; Q45-M49 WeakPolarHBondContact O-CG 3.36Å; Q45-M49 PolarHBondContact O-N 3.38Å; M49-K51 VanDerWaalsContact C-N 3.35Å; M49-T52 PolarHBondContact O-OG1 3.45Å; M49-T52 VanDerWaalsContact O-OG1 3.09Å
50A75Confident66.2Low61 Ų61124.6 Ų124.650%0.50462%0.618SS.*Hα-helixtrans-69-33175.400000112.6R46 E48R46-A50 PolarHBondContact O-N 2.79Å; E48-A50 VanDerWaalsContact C-N 3.27Å; E48-A50 PolarHBondContact O-N 3.36Å
51K71Confident64.9Low143 Ų143127.9 Ų127.962%0.62263%0.631SS**Hα-helixtrans-75-34.4179.7-75.8177.4174-167.10112.8K47 E48 M49 H53 H54K47-K51 WeakPolarHBondContact O-CG 3.42Å; K47-K51 PolarHBondContact O-N 3.02Å; E48-K51 PolarHBondContact O-N 2.85Å; E48-K51 VanDerWaalsContact O-N 3.11Å; M49-K51 VanDerWaalsContact C-N 3.35Å; K51-H53 VanDerWaalsContact C-N 3.31Å; K51-H53 PolarHBondContact O-N 2.91Å; K51-H54 PolarHBondContact O-N 3.1Å
52T61.6Low63.3Low90 Ų90134.7 Ų134.755%0.55265%0.65SS**Hα-helixtrans-70.9-26.9179.952.80000112.8E48 M49E48-T52 PolarHBondContact O-N 2.82Å; M49-T52 PolarHBondContact O-OG1 3.45Å; M49-T52 VanDerWaalsContact O-OG1 3.09Å
53H58.4Low61.6Low164 Ų164140.4 Ų140.476%0.75968%0.675SS**Hα-helixtrans-71.4-29176.3-157-88000113.2K51K51-H53 VanDerWaalsContact C-N 3.31Å; K51-H53 PolarHBondContact O-N 2.91Å
54H55.8Low59.7Low158 Ų158147.1 Ų147.173%0.73169%0.694SS**Hα-helixtrans-74-29177.4-93.6-64.3000113.6K51 K56 G57K51-H54 PolarHBondContact O-N 3.1Å; H54-K56 PolarHBondContact O-N 3.03Å; H54-G57 PolarHBondContact O-N 2.92Å
55Q54Low57.9Low158 Ų158148.5 Ų148.574%0.73871%0.705SS**Hα-helixtrans-79-17.9-175.3-143.1-175.375.100113.7G57Q55-G57 VanDerWaalsContact C-N 3.26Å; Q55-G57 PolarHBondContact O-N 2.83Å
56K47.1Very low56.1Low188 Ų188149.9 Ų149.982%0.81772%0.721SS**THydrogen-bonded Turntrans-78-10.5176.1-145.2174.1-174.71790113.2H54H54-K56 PolarHBondContact O-N 3.03Å
57G49.7Very low54.1Low56 Ų56149.8 Ų149.858%0.57773%0.728SS**THydrogen-bonded Turntrans-80.1-30.3176.400000114.5H54 Q55H54-G57 PolarHBondContact O-N 2.92Å; Q55-G57 VanDerWaalsContact C-N 3.26Å; Q55-G57 PolarHBondContact O-N 2.83Å
58E46.8Very low52.1Low159 Ų159152.8 Ų152.874%0.74374%0.741SS**THydrogen-bonded Turntrans-90.2-25.1-169.9-70.7-168.7111.200114.2K60 K61E58-K60 VanDerWaalsContact C-N 3.27Å; E58-K60 PolarHBondContact O-N 2.91Å; E58-K61 PolarHBondContact O-N 2.95Å
59K48.6Very low49.9Very low190 Ų190157.1 Ų157.183%0.82676%0.758SS**THydrogen-bonded Turntrans-75.9-12.9-176.9-136173.8-175.1177.70114.2
60K43.8Very low48.1Very low198 Ų198154.1 Ų154.186%0.86176%0.758SS**THydrogen-bonded Turntrans-89.5-2.7179.1-135.5-178.3-176.7-178.60114.5E58E58-K60 VanDerWaalsContact C-N 3.27Å; E58-K60 PolarHBondContact O-N 2.91Å
61K46.4Very low46.4Very low181 Ų181161.2 Ų161.279%0.78778%0.777SS**SBendtrans-95.3-12.5-178.1-159.2174.4178.3-177.20114.4E58E58-K61 PolarHBondContact O-N 2.95Å
62K41.7Very low44.6Very low199 Ų199161.3 Ų161.387%0.86579%0.791SS**SBendtrans-100.2-1.3-170.2-145.7177.4179.5-177.80116.3
63E41.5Very low43.4Very low183 Ų183166.3 Ų166.386%0.85581%0.805SS**SBendtrans-107.112.2-175.2-145.9-174.9150.300114.6
64K41.6Very low42.1Very low199 Ų199167.9 Ų167.987%0.86581%0.809SS**SBendtrans-13129.9-176-77.9-161.6174.8-1700116
65T42Very low41.2Very low125 Ų125170.4 Ų170.477%0.76782%0.818SS**SBendtrans-109.3-2.4179.7-490000114.8
66V39.8Very low40.2Very low137 Ų137170.9 Ų170.983%0.8382%0.82SS**SBendtrans-125.782.5177.2-176.30000109.2
67E38.2Very low39.9Very low177 Ų177170.8 Ų170.883%0.82782%0.823SS**SBendtrans-177.4137.2139.2-103.1179.5-179.700110.6
68K39.5Very low39.3Very low188 Ų188176.9 Ų176.982%0.81783%0.833SS**  trans75.379.4168.1-67.8-179.9174.5171.80117.9G70K68-G70 PolarHBondContact O-N 3.3Å
69K32.9Very low39.3Very low225 Ų225175.5 Ų175.598%0.97884%0.838SS**  -71.8102.7128.9-161.1-178.7-173.1-177.40106.9
70G35.9Very low38.6Very low58 Ų58173.2 Ų173.260%0.59884%0.835SS**  trans-177.167.2-17600000114.8K68K68-G70 PolarHBondContact O-N 3.3Å
71K37.6Very low38.4Very low209 Ų209167.4 Ų167.491%0.90983%0.831SS**  trans65111.7156.7-67.8-173175178.80120.2
72T34.4Very low37.7Very low146 Ų146167.5 Ų167.590%0.89683%0.831SS**  trans-57.1133.5156.7-9.70000113.2
73K36.7Very low37.8Very low195 Ų195166 Ų16685%0.84883%0.831SS**  -179.4121.9118.3-136.6174.4176.1177.10112.2
74K31.2Very low37.7Very low197 Ų197163.2 Ų163.286%0.85783%0.829SS**  trans23.8128.6149.3-75.3-177.6168.1-1760119.7
75K36.2Very low37.2Very low211 Ų211163 Ų16392%0.91783%0.831SS**  -172.9152.795.3-154.9172.1175.8-172.40111
76E33.2Very low37Very low167 Ų167165.5 Ų165.578%0.7883%0.833SS**  trans-86.7138.8-170.6176.7-172.5-178.100112.5
77E41.1Very low36.6Very low186 Ų186165.7 Ų165.787%0.86983%0.83SS**  trans-162.9132.7148.6-147.7173.8134.500111.6
78K36.5Very low36.6Very low185 Ų185165.1 Ų165.180%0.80483%0.831SS**  trans-99.3146174-67.8170.4179.1165.30108.8
79P46.5Very low36.4Very low130 Ų130163.5 Ų163.584%0.84483%0.832SS**  trans-134.9152.2132.619.51.3000114.4
80N34.5Very low36.4Very low142 Ų142158.7 Ų158.776%0.75982%0.824SS**  trans-89.5133.1-172.7-173.114.2000110.1
81G38.3Very low36.3Very low75 Ų75162.3 Ų162.377%0.77383%0.829SS**  trans-136.9100.4175.200000110.9
82K31.8Very low36.2Very low184 Ų184159.3 Ų159.380%0.883%0.828SS**  trans-86.8142.2171.1-66.7177.8174.7-176.40109.4
83I44.3Very low36.3Very low168 Ų168157.7 Ų157.786%0.86282%0.818SS**  trans-139.7135.7165.1-45177.1000109.7
84P39.6Very low36.1Very low123 Ų123155.9 Ų155.980%0.79982%0.816SS**  trans-98.9169.7-148.8-9.932.3000118.5
85E31.9Very low36.5Very low194 Ų194153.9 Ų153.991%0.90781%0.813SS**  trans-66.6151.1174.9-59.4-175.3142.800113.4
86H37.7Very low36.2Very low179 Ų179151.3 Ų151.383%0.82981%0.809SS**  trans-122.8112.5-178.7-151-67.5000109.8
87D31.6Very low36.3Very low141 Ų141153 Ų15375%0.75481%0.814SS**  trans-71.1146.2172.9-87.5-65.9000112
88L38.1Very low35.7Very low164 Ų164152.6 Ų152.686%0.85981%0.811SS**  trans-131.3102.8170.6-80.1170.5000108.5
89D33.8Very low35.7Very low155 Ų155149.4 Ų149.483%0.82981%0.81SS**  trans-77.8136.5176-80.1-57000113
90P33.5Very low35.1Very low124 Ų124149.8 Ų149.881%0.80581%0.809SS**  trans-100118.317033-27000112.4
91N32.8Very low34.8Very low133 Ų133154.2 Ų154.271%0.71182%0.815SS**  trans-150.299.5171.7-171.3-8.5000112
92V37.2Very low34.7Very low146 Ų146157.1 Ų157.189%0.88582%0.818SS**  trans-147.2106.1150.4-1750000109.3
93T35.2Very low34.6Very low112 Ų112153.8 Ų153.869%0.68782%0.818SS**PPolyproline II helixtrans-74.2140.6-178.4-65.40000113
94I34Very low34Very low158 Ų158150.7 Ų150.781%0.8182%0.817SS**PPolyproline II helixtrans-76.8117.1177.6-63.4174.1000109.8
95I38.5Very low33.9Very low155 Ų155151.1 Ų151.180%0.79582%0.818SS**PPolyproline II helixtrans-90117.8172.2-61.4-175000110
96L30.1Very low33.9Very low157 Ų157146.6 Ų146.682%0.82281%0.813SS**PPolyproline II helixtrans-79.8124.4178.1-162.3148.3000109
97K35.6Very low33.8Very low203 Ų203144.5 Ų144.588%0.88381%0.813SS**  trans-108.2123.9179.6-116.5166.7169.6173.50109.8
98E29.2Very low33.7Very low176 Ų176142 Ų14282%0.82281%0.812SS**PPolyproline II helixtrans-78156.3-169.7-134.2156.8-178.200113.6
99P35Very low33.6Very low118 Ų118140.3 Ų140.377%0.76681%0.81SS**PPolyproline II helixtrans-95.9126.9-169.5714000113.5
100V34.9Very low33.6Very low139 Ų139139.7 Ų139.784%0.84281%0.813SS**PPolyproline II helixtrans-80.1122.8173.2-1800000110.4
101R28.2Very low33.5Very low234 Ų234139.1 Ų139.188%0.88381%0.811SS**PPolyproline II helixtrans-94.3137168.2-45.6-168.7-153.4-157.29108.9
102V35Very low33.5Very low137 Ų137139 Ų13983%0.8382%0.815SS**  trans-168.3142.5145.7-100.60000113.4
103S31.5Very low33.3Very low114 Ų114141.3 Ų141.380%0.79782%0.816SS**  trans65.6106.5157.2-83.30000122.1
104A30.5Very low33.1Very low103 Ų103141 Ų14185%0.85182%0.818SS**  trans-71.3137.3156.700000111
105V38.5Very low33.1Very low132 Ų132139.6 Ų139.680%0.882%0.823SS**  trans-122.9117.6160.8-176.50000106.7
106A31Very low32.8Very low99 Ų99137.4 Ų137.482%0.81882%0.816SS**  trans-71.6131.7177.500000110.2
107V35.8Very low33Very low135 Ų135133.8 Ų133.882%0.81882%0.817SS**  trans-132.1120.4165.4-172.60000107.4
108A30.5Very low32.6Very low88 Ų88131.7 Ų131.773%0.72781%0.81SS**PPolyproline II helixtrans-69.9142.7-174.600000112.5
109P35.7Very low32.7Very low128 Ų128129.5 Ų129.583%0.83181%0.809SS**PPolyproline II helixtrans-90.3127.1176.532.6-29.5000111.7
110T34.3Very low32.6Very low143 Ų143129.8 Ų129.888%0.87781%0.811SS**PPolyproline II helixtrans-88.8147.2173.235.90000112.5
111S31.3Very low32.5Very low112 Ų112130.7 Ų130.778%0.78381%0.809SS**PPolyproline II helixtrans-63144.1-161.6-172.20000116.4
112V32.6Very low32.8Very low130 Ų130123.5 Ų123.579%0.78880%0.8SS**  trans-106.6116.8171-810000109.8S114V112-S114 PolarHBondContact O-N 2.93Å
113H32Very low32.5Very low194 Ų194123.7 Ų123.790%0.89880%0.801SS**  trans-77.7111168.9-110.6-119.5000109.3
114S31.1Very low32.7Very low106 Ų106124.3 Ų124.374%0.74180%0.8SS**  trans-105.7116.2166.6-67.60000108.4V112V112-S114 PolarHBondContact O-N 2.93Å
115S33.9Very low32.9Very low129 Ų129124.6 Ų124.690%0.90279%0.793SS**  trans-83145.8178.3-1610000110.9
116V33.4Very low32.5Very low108 Ų108123.2 Ų123.266%0.65580%0.796SS**  trans-100.2124.4-154.5-169.30000108.8H118V116-H118 WeakPolarHBondContact CG1-CD2 3.41Å; V116-H118 VanDerWaalsContact CG1-NE2 3.34Å; V116-H118 WeakPolarHBondContact CG1-NE2 3.4Å
117G32.2Very low32.7Very low82 Ų82127 Ų12785%0.84580%0.799SS**  trans-109.299.417000000110.3
118H28.6Very low32.7Very low158 Ų158126.1 Ų126.173%0.73180%0.796SS**  trans-87.5136.8167.5-77.6-116.6000109.8V116V116-H118 WeakPolarHBondContact CG1-CD2 3.41Å; V116-H118 VanDerWaalsContact CG1-NE2 3.34Å; V116-H118 WeakPolarHBondContact CG1-NE2 3.4Å
119T31.8Very low32.8Very low131 Ų131131.2 Ų131.280%0.80481%0.805SS**  178.2116.3128.628.70000110
120P32.9Very low32.7Very low123 Ų123134.4 Ų134.480%0.79981%0.808SS**  trans-98.4128.9169.933.8-25.5000110.3
121I31.5Very low32.6Very low158 Ų158137.2 Ų137.281%0.8181%0.808SS**  trans-138.7132.9173.3-64.1-179.1000111.6
122A34.3Very low32.6Very low84 Ų84140.4 Ų140.469%0.69482%0.816SS**  trans73.889.2154.100000120
123T29.8Very low32.6Very low140 Ų140138.7 Ų138.786%0.85982%0.815SS**  trans-54130143.7-51.90000111
124V35Very low32.8Very low127 Ų127135.2 Ų135.277%0.7781%0.813SS**  trans-117.3135.2162.2176.50000107.9
125P34.8Very low32.8Very low109 Ų109135.9 Ų135.971%0.70882%0.817SS**PPolyproline II helixtrans-88.1152.7-16625.4-13.7000113.4
126A30.5Very low33Very low103 Ų103135.1 Ų135.185%0.85181%0.809SS**PPolyproline II helixtrans-61.4131.3173.600000112
127M34.3Very low33.1Very low180 Ų180138.9 Ų138.989%0.88782%0.817SS**PPolyproline II helixtrans-100148.5163.3-70.8-164.979.800110.8
128P35.5Very low33.1Very low116 Ų116142.3 Ų142.375%0.75382%0.816SS**PPolyproline II helixtrans-92.1152.7-154.3-5.627000114.2E130P128-E130 PolarHBondContact O-N 2.88Å
129Q32.5Very low33.7Very low195 Ų195146.7 Ų146.791%0.91183%0.826SS**PPolyproline II helixtrans-59.4118.7170.9-70.6171.8-65.500111.9
130E34.6Very low33.9Very low195 Ų195149.6 Ų149.691%0.91183%0.828SS**PPolyproline II helixtrans-76.8124.3163.2-81.2-168.1113.100110.7P128P128-E130 PolarHBondContact O-N 2.88Å
131K32.2Very low33.9Very low201 Ų201151.7 Ų151.787%0.87482%0.824SS**PPolyproline II helixtrans-74121.9176.8-70.4-179.4177.7178.80110.2
132L30.7Very low34.2Very low180 Ų180152.8 Ų152.894%0.94282%0.823SS**  trans-90.6108158.7-73.2170.3000108.7
133A32.9Very low34.1Very low93 Ų93155.9 Ų155.977%0.76982%0.823SS**  trans-153.4104.6166.200000111
134S36.2Very low34.6Very low121 Ų121157.4 Ų157.485%0.84682%0.818SS**  trans-166.6104142.8520000110.7
135S30.4Very low34.7Very low120 Ų120160.6 Ų160.684%0.83982%0.821SS**  trans-80.3146.6146.5-760000107.1
136P38.9Very low34.5Very low114 Ų114162.1 Ų162.174%0.7483%0.828SS**  -156.9150.7102.231.3-9.4000118.5
137K34.7Very low35.1Very low187 Ų187161.5 Ų161.581%0.81382%0.823SS**  trans68.1109.6139.2-85.6175.2169.8168.10121.7
138D32.8Very low35.2Very low154 Ų154160.7 Ų160.782%0.82481%0.814SS**  28.5110.4119.8-67-63.4000119.5
139R41.8Very low35.2Very low250 Ų250161.5 Ų161.594%0.94382%0.817SS**  trans-117.986.1150.6-79.5-166.3170.6-162.1-0.7111.4
140K35.1Very low35.3Very low192 Ų192158.8 Ų158.884%0.83581%0.805SS**  trans17.2108.7131.5-163.3171.6179.1177.10117.9
141K32.4Very low35.6Very low166 Ų166154.8 Ų154.872%0.72280%0.795SS**  trans6.4113133.7-162.3179.8-175.7-158.80116.2E143K141-E143 WeakPolarHBondContact CE-OE2 3.27Å; K141-E143 IonicContact NZ-OE2 2.75Å; K141-E143 PolarHBondContact NZ-OE2 2.94Å
142K38.5Very low35.6Very low181 Ų181149.8 Ų149.879%0.78779%0.791SS**  trans-122.890.9159.1-166.1174.6-177.8179.70109
143E31.8Very low35.9Very low149 Ų149147.6 Ų147.670%0.69679%0.785SS**  trans-63.2127.9152.9-86.1175.47800108K141K141-E143 WeakPolarHBondContact CE-OE2 3.27Å; K141-E143 IonicContact NZ-OE2 2.75Å; K141-E143 PolarHBondContact NZ-OE2 2.94Å
144K41.1Very low36Very low173 Ų173147.9 Ų147.975%0.75278%0.782SS**  trans-155109.3152.8-110.4-178.7-175-170.90110.4
145K37Very low35.9Very low193 Ų193147 Ų14784%0.83978%0.775SS**  trans52.3107.1140.5-66.1-165.5170.9-1680118.9A147K145-A147 PolarHBondContact O-N 2.89Å
146V31.1Very low36.2Very low142 Ų142149.5 Ų149.586%0.86178%0.777SS**  trans-22.5110.3133.2-177.80000111.7
147A41.9Very low35.7Very low89 Ų89150.5 Ų150.574%0.73678%0.781SS**  trans-111.1100.5156.500000106.6K145 V149K145-A147 PolarHBondContact O-N 2.89Å; A147-V149 PolarHBondContact O-N 2.84Å
148K36.9Very low35.7Very low163 Ų163148.5 Ų148.571%0.70978%0.779SS**  trans-61.4103.8170.1173.6173.2166.3-176.70107.9E150K148-E150 WeakPolarHBondContact CE-OE1 3.4Å; K148-E150 HydrophobicContact CG-CG 4.16Å; K148-E150 IonicContact NZ-OE1 2.63Å; K148-E150 PolarHBondContact NZ-OE1 3.13Å
149V35.3Very low36Very low134 Ų134146 Ų14681%0.81277%0.774SS**  trans-98.4105.2166.8176.60000106.4A147 P151A147-V149 PolarHBondContact O-N 2.84Å; V149-P151 WeakPolarHBondContact O-CD 3.43Å
150E35.4Very low35.6Very low138 Ų138141.1 Ų141.165%0.64577%0.765SS**  trans-71124.8173-60.5-171.9151.800109K148 A152K148-E150 WeakPolarHBondContact CE-OE1 3.4Å; K148-E150 HydrophobicContact CG-CG 4.16Å; K148-E150 IonicContact NZ-OE1 2.63Å; K148-E150 PolarHBondContact NZ-OE1 3.13Å; E150-A152 PolarHBondContact O-N 3.12Å
151P39.6Very low35.7Very low111 Ų111140.9 Ų140.972%0.72177%0.767SS**  trans-81.2106.3157.730.2-24.5000107.2V149 V153V149-P151 WeakPolarHBondContact O-CD 3.43Å; P151-V153 PolarHBondContact O-N 2.99Å
152A33.7Very low35.7Very low95 Ų95138.7 Ų138.779%0.78577%0.767SS**  trans-59.3105.1162.200000108.4E150E150-A152 PolarHBondContact O-N 3.12Å
153V37.1Very low35.7Very low135 Ų135138 Ų13882%0.81877%0.771SS**  trans-109.192.4165-177.10000106.4P151P151-V153 PolarHBondContact O-N 2.99Å
154S34.3Very low35.9Very low99 Ų99135 Ų13569%0.69277%0.772SS**  trans-70.1121.6171.516.40000110.4
155S33.8Very low35.5Very low101 Ų101132.7 Ų132.771%0.70678%0.777SS**  trans21.3110144.8630000119.1
156I37.1Very low35.8Very low173 Ų173132.9 Ų132.989%0.88778%0.778SS**  trans-134.2104.6131.1-58.3-178.4000107.1
157V29.4Very low36.1Very low136 Ų136131.1 Ų131.182%0.82477%0.772SS**  trans-98.7121.1163.3168.60000105.6
158N34.8Very low35.7Very low145 Ų145131.7 Ų131.778%0.77578%0.777SS**  trans-167.2148.9141-136.5-16.6000114.7
159S37.2Very low35.4Very low100 Ų100131.8 Ų131.870%0.69978%0.783SS**  trans79.876165.2-73.60000119.8
160I34.8Very low35.2Very low148 Ų148133.5 Ų133.576%0.75979%0.787SS**  4.3115.6116.3-54.2177.9000115.2V162I160-V162 HydrophobicContact CG2-CG2 4.28Å
161Q37.1Very low35.3Very low188 Ų188136 Ų13688%0.87980%0.799SS**  trans-131.2100.6140.9-83.1-168.128.900108.3
162V31.8Very low34.9Very low120 Ų120134.6 Ų134.673%0.72780%0.797SS**  trans-95.5116.7165.1170.20000105.7I160I160-V162 HydrophobicContact CG2-CG2 4.28Å
163L39.6Very low35Very low167 Ų167136.7 Ų136.787%0.87480%0.8SS**  trans-117.9127.1160.2-82.3169.8000108.7
164A36Very low34.8Very low86 Ų86136.5 Ų136.571%0.71180%0.801SS**  trans-85.5157.3-156.200000113.5
165S31.9Very low35Very low123 Ų123142 Ų14286%0.8681%0.813SS**  trans-49.8134.1174.6-44.10000114.1
166K42.3Very low34.7Very low198 Ų198145.6 Ų145.686%0.86182%0.819SS**  trans-97.8115.1162.3-77.4-169.7175.1-170.10110.3
167S37.5Very low34.4Very low105 Ų105144 Ų14473%0.73482%0.816SS**  trans31.1111.9137340000118.1
168A34.6Very low34.6Very low101 Ų101142.3 Ų142.384%0.83581%0.808SS**  94.2114.975.300000111.8
169I31Very low34.2Very low165 Ų165144 Ų14485%0.84681%0.814SS**  trans-81137.8-178.8-60.8149.6000108
170L31.3Very low34.2Very low170 Ų170146 Ų14689%0.8982%0.821SS**  trans176.3118.6147.7-97.5163.5000108.6
171E35.9Very low34.1Very low190 Ų190143.5 Ų143.589%0.88882%0.823SS**  168.9134.8113.4-156.7170.4-171.200110
172A30.8Very low33.8Very low82 Ų82140.4 Ų140.468%0.67882%0.817SS**  trans-93.6145.8-173.500000111.4
173T36.8Very low33.8Very low138 Ų138139.8 Ų139.885%0.84782%0.815SS**  158.8124.4124.343.20000110.9
174P33.7Very low33.7Very low132 Ų132137.4 Ų137.486%0.85781%0.809SS**  trans-94.1139.7-179.534-30000112.3
175K37.1Very low33.4Very low213 Ų213140.2 Ų140.293%0.92682%0.817SS**  trans-107.7125.8165.1-87.9-175.1171.7-176.90110.2
176E28Very low33.2Very low178 Ų178137.2 Ų137.283%0.83281%0.806SS**  trans-58.5138.8176.2-79.1-150.5114.900114
177V31.8Very low32.7Very low138 Ų138133.5 Ų133.584%0.83681%0.805SS**  trans-139.8135.6144-177.50000108.1
178P31.9Very low32.3Very low101 Ų101137.9 Ų137.966%0.65681%0.811SS**  trans-92.7143.4-167.44.117.3000113.8
179M28.3Very low32.1Very low181 Ų181137.8 Ų137.889%0.89281%0.81SS**  trans35.9110.9146.1-69.3-173.8166.700120.1
180V36.9Very low32.1Very low142 Ų142134.5 Ų134.586%0.86180%0.802SS**  -138.3111117.4-178.20000107.9V182V180-V182 PolarHBondContact O-N 2.82Å
181A32.5Very low32.5Very low96 Ų96129.1 Ų129.179%0.79378%0.779SS**  trans-72.5106.9179.800000110.7
182V31.2Very low32.9Very low123 Ų123125.8 Ų125.875%0.74577%0.773SS**PPolyproline II helixtrans-102.5116.9152.8-176.60000106.2V180 P184V180-V182 PolarHBondContact O-N 2.82Å; V182-P184 WeakPolarHBondContact O-CD 3.42Å
183P30.4Very low33.8Very low106 Ų106125 Ų12569%0.68877%0.767SS**PPolyproline II helixtrans-60.3124.3-179.923-31.2000109V185P183-V185 PolarHBondContact O-N 3.11Å; P183-V185 VanDerWaalsContact O-N 3.12Å
184P37.8Very low34.7Very low117 Ų117121.7 Ų121.776%0.7675%0.746SS**PPolyproline II helixtrans-64.6120.6173.326.5-30.9000107.1V182 G186V182-P184 WeakPolarHBondContact O-CD 3.42Å; P184-G186 PolarHBondContact O-N 2.68Å
185V29Very low35.8Very low145 Ų145119.8 Ų119.888%0.87974%0.736SS**  trans-47.7107.9166.6-85.40000107.5P183 S187P183-V185 PolarHBondContact O-N 3.11Å; P183-V185 VanDerWaalsContact O-N 3.12Å; V185-S187 PolarHBondContact O-N 3.19Å
186G27.9Very low37Very low61 Ų61111.3 Ų111.363%0.62970%0.704SS**  trans-50.9126.1-164.400000111.4P184 K188P184-G186 PolarHBondContact O-N 2.68Å; G186-K188 VanDerWaalsContact C-N 3.28Å; G186-K188 PolarHBondContact O-N 2.97Å
187S31.9Very low38.3Very low120 Ų120110.6 Ų110.684%0.83970%0.701SS**  trans-48.190.3170.9-40.90000109.6V185 A189V185-S187 PolarHBondContact O-N 3.19Å; S187-A189 PolarHBondContact O-N 2.79Å
188K28.7Very low39.3Very low196 Ų196105.5 Ų105.585%0.85268%0.676SS**  trans-69.992.5166.5-72-83.9-172.8165.10104.9G186 S190G186-K188 VanDerWaalsContact C-N 3.28Å; G186-K188 PolarHBondContact O-N 2.97Å; K188-S190 VanDerWaalsContact C-N 3.26Å; K188-S190 PolarHBondContact O-N 2.9Å
189A32.1Very low40.3Very low99 Ų99109.3 Ų109.382%0.81868%0.682SS**  trans-54.294.5166.500000108.1S187 S191S187-A189 PolarHBondContact O-N 2.79Å; A189-S191 PolarHBondContact O-N 2.87Å; A189-S191 VanDerWaalsContact O-N 3.1Å
190S30.4Very low41Very low96 Ų96109.3 Ų109.367%0.67168%0.677SS**  trans-71.997.2171.754.70000106.8K188K188-S190 VanDerWaalsContact C-N 3.26Å; K188-S190 PolarHBondContact O-N 2.9Å
191S40.5Very low41.5Very low58 Ų58104.4 Ų104.441%0.40666%0.656SS.*PPolyproline II helixtrans-6013716852.10000109.1A189A189-S191 PolarHBondContact O-N 2.87Å; A189-S191 VanDerWaalsContact O-N 3.1Å
192P44.1Very low42.5Very low119 Ų119108.9 Ų108.977%0.77366%0.661SS**PPolyproline II helixtrans-60.8137.7-170.222.1-32.3000112.6T194P192-T194 PolarHBondContact O-N 2.79Å
193A49Very low43.6Very low66 Ų66105 Ų10555%0.54565%0.645SS.*PPolyproline II helixtrans-58.9128.4173.200000110.2S195A193-S195 PolarHBondContact O-N 3.44Å
194T56.6Low45.2Very low68 Ų68101.5 Ų101.542%0.41763%0.625SS.*  trans-90.5103.6175.445.80000108.8P192 Q215P192-T194 PolarHBondContact O-N 2.79Å; T194-Q215 PolarHBondContact O-N 3.08Å
195S56.1Low46.6Very low92 Ų92100.8 Ų100.864%0.64361%0.612SS**EExtended strand (participates in β ladder)trans-109.6129.5173.4660000110.3A193 Q215A193-S195 PolarHBondContact O-N 3.44Å; S195-Q215 WeakPolarHBondContact CA-O 3.32Å
196S61.1Low48.4Very low35 Ų3595 Ų9525%0.24558%0.576CS.*EExtended strand (participates in β ladder)trans-114132.117083.70000110.6A204 Q215 N216 Q217S196-A204 VanDerWaalsContact OG-CB 3.27Å; S196-A204 WeakPolarHBondContact OG-CB 3.41Å; S196-Q215 PolarHBondContact N-O 3.29Å; S196-N216 PolarHBondContact OG-OD1 3.2Å; S196-Q217 PolarHBondContact O-N 3Å; S196-Q217 VanDerWaalsContact O-N 3.13Å
197Q56.2Low50.3Low163 Ų16398.7 Ų98.776%0.76258%0.577SS**EExtended strand (participates in β ladder)trans-121.1120.3173-91.5-173.5-14.400109.7Q217Q197-Q217 HydrophobicContact CG-CB 4.25Å
198G52Low51.7Low32 Ų3294.2 Ų94.233%0.3355%0.547SS..EExtended strand (participates in β ladder)trans-123.6129.7177.800000112.6Q217G198-Q217 PolarHBondContact N-O 2.9Å
199K52.6Low53.1Low180 Ų18093 Ų9378%0.78354%0.542SS*.SBendtrans-72.6-33.7170.5-74.3-176.2-178175.20111.9
200K44.3Very low54.2Low181 Ų18195.9 Ų95.979%0.78754%0.536SS*.SBendtrans-156.4105.8171.7-85.8179.7175179.10105.5
201G48Very low55.2Low40 Ų4092.7 Ų92.741%0.41252%0.518SS..  trans-140.2126.4179.500000109.8G203G201-G203 PolarHBondContact O-N 3.44Å
202Q52.7Low56Low190 Ų19095.8 Ų95.889%0.88853%0.526SS*.SBendtrans-62.5123.7164-73.1172.60.600107.7
203G54.9Low56.6Low40 Ų4091.4 Ų91.441%0.41250%0.502SS..  trans46.174.5161.100000117.9G201 Q205 E222 G223G201-G203 PolarHBondContact O-N 3.44Å; G203-Q205 PolarHBondContact O-N 3.11Å; G203-E222 WeakPolarHBondContact CA-O 3.23Å; G203-E222 PolarHBondContact N-O 2.92Å; G203-E222 VanDerWaalsContact N-O 3.08Å; G203-G223 WeakPolarHBondContact CA-O 3.05Å
204A63.6Low57.4Low34 Ų3488.8 Ų88.828%0.28148%0.48SS..  trans-66.1115164.700000109.8S196 A224 Q225S196-A204 VanDerWaalsContact OG-CB 3.27Å; S196-A204 WeakPolarHBondContact OG-CB 3.41Å; A204-A224 WeakPolarHBondContact O-CA 3.32Å; A204-Q225 PolarHBondContact O-N 2.93Å
205Q65.9Low58Low102 Ų10288.8 Ų88.848%0.47748%0.476SS..EExtended strand (participates in β ladder)trans-114.2118.1177.3-171.7-179.3-900110.8G203 Q225G203-Q205 PolarHBondContact O-N 3.11Å; Q205-Q225 CarbonylContact C-O 3.55Å; Q205-Q225 VanDerWaalsContact CA-O 3.27Å; Q205-Q225 WeakPolarHBondContact CA-O 3.3Å; Q205-Q225 HydrophobicContact CG-CB 4.38Å
206N67.8Low58.5Low24 Ų2484.7 Ų84.713%0.12845%0.447CS..EExtended strand (participates in β ladder)trans-110.7133.5172.5-58.4-42.2000110.5A214 N216 Q225 N226 Q227N206-A214 HydrophobicContact CB-CB 3.76Å; N206-N216 PolarHBondContact ND2-OD1 3.02Å; N206-Q225 PolarHBondContact N-O 2.87Å; N206-N226 WeakPolarHBondContact CB-OD1 3.45Å; N206-N226 PolarHBondContact ND2-OD1 2.93Å; N206-N226 WeakPolarHBondContact O-CA 3.45Å; N206-Q227 PolarHBondContact O-N 2.9Å
207Q67.2Low58.8Low137 Ų13786.1 Ų86.164%0.6445%0.449SS*.EExtended strand (participates in β ladder)trans-121.5118.4172.2-62.3-171.625.300110.4Q227Q207-Q227 WeakPolarHBondContact CA-O 3.34Å; Q207-Q227 HydrophobicContact CG-CB 4.35Å
208A61.4Low59Low26 Ų2679.5 Ų79.522%0.21543%0.425CS..EExtended strand (participates in β ladder)trans-115128.7176.800000111.3Q227 A228 K229A208-Q227 PolarHBondContact N-O 2.89Å; A208-A228 WeakPolarHBondContact O-CA 3.29Å; A208-K229 PolarHBondContact O-N 3.42Å; A208-K229 VanDerWaalsContact O-N 3.13Å
209K59.5Low59.3Low172 Ų17284.7 Ų84.775%0.74844%0.438SS*.SBendtrans-79.7-39175.5-72.7-179.3-176.4173.10111.9
210K54.3Low59.4Low159 Ų15981.9 Ų81.969%0.69143%0.426SS*.SBendtrans-155.6137.7173-81.2-178.6179.7175.90106.6K230K210-K230 WeakPolarHBondContact CA-O 3.38Å; K210-K230 HydrophobicContact CG-CB 4.41Å
211G52.2Low59.8Low28 Ų2874.6 Ų74.629%0.28940%0.402SS..  trans156.2164.6173.100000114.1G231G211-G231 WeakPolarHBondContact O-CA 3.38Å
212E55.8Low60.3Low124 Ų12479 Ų7958%0.57941%0.412SS*.SBendtrans-63.4151.5167.2-71.3174.3159.600110.5
213G57.6Low60.6Low26 Ų2671.5 Ų71.527%0.26839%0.386SS..  trans-41.7141.9-161.200000119.9E232 G233G213-E232 WeakPolarHBondContact CA-O 3.47Å; G213-E232 PolarHBondContact N-O 3.38Å; G213-G233 CarbonylContact C-O 3.6Å; G213-G233 WeakPolarHBondContact CA-O 3.27Å
214A65.6Low61.2Low11 Ų1170.8 Ų70.89%0.09138%0.376CS..  trans-83.5126163.600000109.6N206 N226 Q235N206-A214 HydrophobicContact CB-CB 3.76Å; A214-N226 HydrophobicContact CB-CB 4.31Å; A214-Q235 PolarHBondContact O-N 3.18Å
215Q68.5Low61.5Low69 Ų6971.2 Ų71.232%0.32237%0.372SS..EExtended strand (participates in β ladder)trans-121.3123.3-179.5-167.8-177.1-87.800111.5T194 S195 S196 Q217 Q235T194-Q215 PolarHBondContact O-N 3.08Å; S195-Q215 WeakPolarHBondContact CA-O 3.32Å; S196-Q215 PolarHBondContact N-O 3.29Å; Q215-Q217 HydrophobicContact CG-CG 4.33Å; Q215-Q235 VanDerWaalsContact CA-O 3.31Å; Q215-Q235 WeakPolarHBondContact CA-O 3.29Å; Q215-Q235 HydrophobicContact CG-CB 4.24Å
216N68Low61.8Low6 Ų666.4 Ų66.43%0.03235%0.35CS..EExtended strand (participates in β ladder)trans-112.8127.8171.6-59.9-48.7000110.6S196 N206 A224 N226 Q235 N236 Q237S196-N216 PolarHBondContact OG-OD1 3.2Å; N206-N216 PolarHBondContact ND2-OD1 3.02Å; N216-A224 HydrophobicContact CB-CB 4.14Å; N216-N226 PolarHBondContact ND2-ND2 3.15Å; N216-N226 PolarHBondContact ND2-OD1 2.92Å; N216-Q235 PolarHBondContact N-O 3.41Å; N216-N236 WeakPolarHBondContact CB-OD1 2.99Å; N216-N236 PolarHBondContact ND2-OD1 2.81Å; N216-N236 WeakPolarHBondContact O-CA 3.39Å; N216-Q237 PolarHBondContact O-N 3.21Å
217Q67.5Low61.8Low64 Ų6468.4 Ų68.430%0.29936%0.359SS..EExtended strand (participates in β ladder)trans-125.4127.9173.3-61.2-169.47.900111.4S196 Q197 G198 Q215 Q237S196-Q217 PolarHBondContact O-N 3Å; S196-Q217 VanDerWaalsContact O-N 3.13Å; Q197-Q217 HydrophobicContact CG-CB 4.25Å; G198-Q217 PolarHBondContact N-O 2.9Å; Q215-Q217 HydrophobicContact CG-CG 4.33Å; Q217-Q237 WeakPolarHBondContact CA-O 3.33Å; Q217-Q237 HydrophobicContact CG-CB 4.33Å
218G59.6Low61.7Low24 Ų2463.3 Ų63.325%0.24734%0.34CS..EExtended strand (participates in β ladder)trans-141142-177.700000114.9Q237 A238 K239G218-Q237 PolarHBondContact N-O 3.41Å; G218-A238 WeakPolarHBondContact O-CA 3.44Å; G218-K239 PolarHBondContact O-N 2.9Å; G218-K239 VanDerWaalsContact O-N 3.12Å
219K58Low61.8Low141 Ų14167.6 Ų67.661%0.61335%0.354SS*.SBendtrans-77-40.6172.1-73-173.9-178.8-178.50112K240K219-K240 PolarHBondContact O-N 2.84Å
220K55Low61.7Low122 Ų12264.9 Ų64.953%0.5334%0.342SS..SBendtrans-141.4122.6170.3-85.8-173.8175.1-172.10107.2K240K220-K240 WeakPolarHBondContact CA-O 3.45Å; K220-K240 HydrophobicContact CG-CB 4.28Å
221G53.5Low61.8Low27 Ų2758.6 Ų58.628%0.27832%0.322SS..  trans-160.2133.9174.800000111K240 G241G221-K240 PolarHBondContact N-O 2.9Å; G221-G241 WeakPolarHBondContact O-CA 3.28Å
222E57.4Low62.2Low132 Ų13263.1 Ų63.162%0.61734%0.336SS*.SBendtrans-89.1133.2164.7-73.6165.6-16900107.8G203G203-E222 WeakPolarHBondContact CA-O 3.23Å; G203-E222 PolarHBondContact N-O 2.92Å; G203-E222 VanDerWaalsContact N-O 3.08Å
223G59.2Low62.5Low34 Ų3458.4 Ų58.435%0.35132%0.32SS..  trans74.644.2158.500000117.9G203 Q225 E242G203-G223 WeakPolarHBondContact CA-O 3.05Å; G223-Q225 PolarHBondContact O-N 2.91Å; G223-E242 PolarHBondContact N-O 2.87Å
224A67.8Low63Low24 Ų2458 Ų5820%0.19831%0.314CS..  trans-67.7120.617000000110.6A204 N216 A244 Q245A204-A224 WeakPolarHBondContact O-CA 3.32Å; N216-A224 HydrophobicContact CB-CB 4.14Å; A224-A244 CarbonylContact O-C 3.58Å; A224-A244 WeakPolarHBondContact O-CA 3.47Å; A224-Q245 PolarHBondContact O-N 3.43Å
225Q70.3Confident63.4Low43 Ų4360.3 Ų60.320%0.20132%0.323CS..EExtended strand (participates in β ladder)trans-125122.9-176.3-170.8178.75.700112.1A204 Q205 N206 G223 Q227 Q245A204-Q225 PolarHBondContact O-N 2.93Å; Q205-Q225 CarbonylContact C-O 3.55Å; Q205-Q225 VanDerWaalsContact CA-O 3.27Å; Q205-Q225 WeakPolarHBondContact CA-O 3.3Å; Q205-Q225 HydrophobicContact CG-CB 4.38Å; N206-Q225 PolarHBondContact N-O 2.87Å; G223-Q225 PolarHBondContact O-N 2.91Å; Q225-Q227 HydrophobicContact CG-CG 4.44Å; Q225-Q245 CarbonylContact C-O 3.59Å; Q225-Q245 VanDerWaalsContact CA-O 3.27Å; Q225-Q245 WeakPolarHBondContact CA-O 3.31Å; Q225-Q245 HydrophobicContact CG-CB 4.21Å
226N70.8Confident63.6Low2 Ų257.3 Ų57.31%0.01131%0.309CS..EExtended strand (participates in β ladder)trans-111.6131.3170.5-60.8-46.4000110.6N206 A214 N216 A234 N236 Q245 N246 Q247N206-N226 WeakPolarHBondContact CB-OD1 3.45Å; N206-N226 PolarHBondContact ND2-OD1 2.93Å; N206-N226 WeakPolarHBondContact O-CA 3.45Å; A214-N226 HydrophobicContact CB-CB 4.31Å; N216-N226 PolarHBondContact ND2-ND2 3.15Å; N216-N226 PolarHBondContact ND2-OD1 2.92Å; N226-A234 HydrophobicContact CB-CB 3.97Å; N226-N236 PolarHBondContact ND2-OD1 3.33Å; N226-Q245 PolarHBondContact N-O 3.03Å; N226-N246 WeakPolarHBondContact CB-OD1 2.93Å; N226-N246 PolarHBondContact ND2-OD1 3.38Å; N226-N246 VanDerWaalsContact ND2-OD1 3.07Å; N226-N246 CarbonylContact O-C 3.44Å; N226-N246 WeakPolarHBondContact O-CA 3.26Å; N226-Q247 PolarHBondContact O-N 2.92Å
227Q69.8Low63.7Low66 Ų6660.1 Ų60.131%0.30832%0.322SS..EExtended strand (participates in β ladder)trans-120.9124.3170.9-58.8-173.318.500110.8N206 Q207 A208 Q225 Q247N206-Q227 PolarHBondContact O-N 2.9Å; Q207-Q227 WeakPolarHBondContact CA-O 3.34Å; Q207-Q227 HydrophobicContact CG-CB 4.35Å; A208-Q227 PolarHBondContact N-O 2.89Å; Q225-Q227 HydrophobicContact CG-CG 4.44Å; Q227-Q247 CarbonylContact C-O 3.58Å; Q227-Q247 WeakPolarHBondContact CA-O 3.33Å; Q227-Q247 HydrophobicContact CG-CB 4.36Å
228A64Low63.6Low30 Ų3058.4 Ų58.425%0.24832%0.319CS..EExtended strand (participates in β ladder)trans-126.4132178.200000112A208 Q247 G248 K249A208-A228 WeakPolarHBondContact O-CA 3.29Å; A228-Q247 PolarHBondContact N-O 3.27Å; A228-G248 WeakPolarHBondContact O-CA 3.24Å; A228-K249 PolarHBondContact O-N 2.83Å; A228-K249 VanDerWaalsContact O-N 3.1Å
229K62.5Low63.8Low116 Ų11663.4 Ų63.450%0.50433%0.334SS..SBendtrans-80.4-37.5172.6-72.3-177.7-175.3178.60112A208 K249 K250A208-K229 PolarHBondContact O-N 3.42Å; A208-K229 VanDerWaalsContact O-N 3.13Å; K229-K249 HydrophobicContact CG-CD 4.48Å; K229-K249 WeakPolarHBondContact O-CB 3.35Å; K229-K250 PolarHBondContact O-N 3.14Å
230K58.4Low63.9Low115 Ų11561.8 Ų61.850%0.533%0.327SS..SBendtrans-154.2130175.7-107.2-173.3172.4-170.30108.2K210 K250K210-K230 WeakPolarHBondContact CA-O 3.38Å; K210-K230 HydrophobicContact CG-CB 4.41Å; K230-K250 VanDerWaalsContact CA-O 3.32Å; K230-K250 WeakPolarHBondContact CA-O 2.99Å; K230-K250 HydrophobicContact CG-CB 4.06Å
231G56.8Low64.1Low27 Ų2756.7 Ų56.728%0.27831%0.309SS..EExtended strand (participates in β ladder)trans166.6166.3174.400000113.3G211 K250 G251G211-G231 WeakPolarHBondContact O-CA 3.38Å; G231-K250 PolarHBondContact N-O 2.71Å; G231-G251 WeakPolarHBondContact O-CA 3.34Å
232E59.3Low64.4Low123 Ų12360.1 Ų60.158%0.57532%0.318SS*.EExtended strand (participates in β ladder)trans-90.5132.4170.8-69.7171.3-165.300109.1G213G213-E232 WeakPolarHBondContact CA-O 3.47Å; G213-E232 PolarHBondContact N-O 3.38Å
233G61.9Low64.7Low24 Ų2455 Ų5525%0.24730%0.301CS..EExtended strand (participates in β ladder)trans7781.2154.900000117.8G213 E252 G253G213-G233 CarbonylContact C-O 3.6Å; G213-G233 WeakPolarHBondContact CA-O 3.27Å; G233-E252 PolarHBondContact N-O 3.49Å; G233-G253 CarbonylContact C-O 3.56Å; G233-G253 WeakPolarHBondContact CA-O 3.38Å; G233-G253 PolarHBondContact N-O 2.97Å
234A70Confident65.3Low18 Ų1854.3 Ų54.315%0.14929%0.291CS..EExtended strand (participates in β ladder)trans-89.6119.2162.100000110N226 N246 G253 A254 Q255N226-A234 HydrophobicContact CB-CB 3.97Å; A234-N246 HydrophobicContact CB-CB 4.07Å; A234-G253 PolarHBondContact N-O 2.98Å; A234-A254 WeakPolarHBondContact O-CA 3.38Å; A234-Q255 PolarHBondContact O-N 3.44Å
235Q72.8Confident65.6Low60 Ų6056 Ų5628%0.2830%0.295SS..EExtended strand (participates in β ladder)trans-123.1126.2-177.2-63.5-164.3-700112.8A214 Q215 N216 Q255A214-Q235 PolarHBondContact O-N 3.18Å; Q215-Q235 VanDerWaalsContact CA-O 3.31Å; Q215-Q235 WeakPolarHBondContact CA-O 3.29Å; Q215-Q235 HydrophobicContact CG-CB 4.24Å; N216-Q235 PolarHBondContact N-O 3.41Å; Q235-Q255 CarbonylContact C-O 3.57Å; Q235-Q255 VanDerWaalsContact CA-O 3.32Å; Q235-Q255 WeakPolarHBondContact CA-O 3.35Å; Q235-Q255 HydrophobicContact CG-CB 4.23Å
236N72.4Confident65.8Low5 Ų554.1 Ų54.13%0.02729%0.287CS..EExtended strand (participates in β ladder)trans-118.9128.6170.6-60.3-50.1000110.4N216 N226 A244 N246 Q255 N256 Q257N216-N236 WeakPolarHBondContact CB-OD1 2.99Å; N216-N236 PolarHBondContact ND2-OD1 2.81Å; N216-N236 WeakPolarHBondContact O-CA 3.39Å; N226-N236 PolarHBondContact ND2-OD1 3.33Å; N236-A244 HydrophobicContact CB-CB 3.8Å; N236-N246 PolarHBondContact ND2-OD1 2.88Å; N236-Q255 PolarHBondContact N-O 3.43Å; N236-N256 WeakPolarHBondContact CB-OD1 3.25Å; N236-N256 PolarHBondContact ND2-OD1 3.33Å; N236-N256 CarbonylContact O-C 3.52Å; N236-N256 WeakPolarHBondContact O-CA 3.26Å; N236-Q257 PolarHBondContact O-N 3.17Å
237Q71.5Confident65.8Low65 Ų6557.3 Ų57.330%0.30430%0.301SS..EExtended strand (participates in β ladder)trans-125.6123.2174.6-56.7-172.519.800111.4N216 Q217 G218 Q257N216-Q237 PolarHBondContact O-N 3.21Å; Q217-Q237 WeakPolarHBondContact CA-O 3.33Å; Q217-Q237 HydrophobicContact CG-CB 4.33Å; G218-Q237 PolarHBondContact N-O 3.41Å; Q237-Q257 WeakPolarHBondContact CA-O 3.38Å; Q237-Q257 HydrophobicContact CG-CB 4.28Å
238A65Low65.7Low28 Ų2855.2 Ų55.223%0.23130%0.298CS..EExtended strand (participates in β ladder)trans-129.8136.5179.400000113G218 Q257 A258 K259G218-A238 WeakPolarHBondContact O-CA 3.44Å; A238-Q257 PolarHBondContact N-O 2.83Å; A238-A258 WeakPolarHBondContact O-CA 3.35Å; A238-K259 PolarHBondContact O-N 2.82Å
239K63.2Low65.7Low130 Ų13059 Ų5957%0.56531%0.309SS*.SBendtrans-79.5-38.8173.1-171.5174.8-178.4-178.40111.9G218 K259 K260G218-K239 PolarHBondContact O-N 2.9Å; G218-K239 VanDerWaalsContact O-N 3.12Å; K239-K259 HydrophobicContact CG-CD 4.07Å; K239-K259 WeakPolarHBondContact O-CB 3.24Å; K239-K260 PolarHBondContact O-N 2.99Å
240K60.2Low65.7Low106 Ų10658.7 Ų58.746%0.46131%0.308SS..SBendtrans-139.1127.9164.6-83.4-176177.9-1770107.1K219 K220 G221 K260K219-K240 PolarHBondContact O-N 2.84Å; K220-K240 WeakPolarHBondContact CA-O 3.45Å; K220-K240 HydrophobicContact CG-CB 4.28Å; G221-K240 PolarHBondContact N-O 2.9Å; K240-K260 VanDerWaalsContact CA-O 3.31Å; K240-K260 WeakPolarHBondContact CA-O 2.92Å; K240-K260 HydrophobicContact CG-CB 4.27Å
241G58.3Low65.8Low15 Ų1554.8 Ų54.816%0.15530%0.299CS..  trans-175.7150.3176.200000112.8G221 K260 G261G221-G241 WeakPolarHBondContact O-CA 3.28Å; G241-K260 PolarHBondContact N-O 3.11Å; G241-K260 VanDerWaalsContact N-O 3.12Å; G241-G261 WeakPolarHBondContact O-CA 2.98Å
242E60.9Low66.1Low99 Ų9958.8 Ų58.846%0.46331%0.311SS..SBendtrans-102.9129.7174.4-69.6173.4-178.300108.7G223 E262G223-E242 PolarHBondContact N-O 2.87Å; E242-E262 HydrophobicContact CB-CB 4.23Å; E242-E262 HydrophobicContact CG-CB 4.17Å; E242-E262 HydrophobicContact CG-CG 4.09Å
243G63.1Low66.3Low25 Ų2554.6 Ų54.626%0.25830%0.3SS..  trans71.161.7158.700000117.3E262G243-E262 PolarHBondContact N-O 2.87Å
244A71.9Confident66.9Low19 Ų1954.5 Ų54.516%0.15730%0.297CS..  trans-75.1125.8167.400000111A224 N236 N256 G264 Q265A224-A244 CarbonylContact O-C 3.58Å; A224-A244 WeakPolarHBondContact O-CA 3.47Å; N236-A244 HydrophobicContact CB-CB 3.8Å; A244-N256 HydrophobicContact CB-CB 4.21Å; A244-G264 CarbonylContact O-C 3.54Å; A244-G264 WeakPolarHBondContact O-CA 3.24Å; A244-Q265 PolarHBondContact O-N 2.84Å
245Q73.9Confident67.2Low59 Ų5955.3 Ų55.328%0.27630%0.298SS..EExtended strand (participates in β ladder)trans-122.1127.5-177.5-64.9-169.9-30.800112.3A224 Q225 N226 Q265A224-Q245 PolarHBondContact O-N 3.43Å; Q225-Q245 CarbonylContact C-O 3.59Å; Q225-Q245 VanDerWaalsContact CA-O 3.27Å; Q225-Q245 WeakPolarHBondContact CA-O 3.31Å; Q225-Q245 HydrophobicContact CG-CB 4.21Å; N226-Q245 PolarHBondContact N-O 3.03Å; Q245-Q265 CarbonylContact C-O 3.57Å; Q245-Q265 VanDerWaalsContact CA-O 3.29Å; Q245-Q265 WeakPolarHBondContact CA-O 3.32Å; Q245-Q265 HydrophobicContact CG-CB 4.23Å
246N74.3Confident67.3Low4 Ų452.7 Ų52.72%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-116.8127.9169.6-59-51.5000110.2N226 A234 N236 A254 N256 Q265 N266 Q267N226-N246 WeakPolarHBondContact CB-OD1 2.93Å; N226-N246 PolarHBondContact ND2-OD1 3.38Å; N226-N246 VanDerWaalsContact ND2-OD1 3.07Å; N226-N246 CarbonylContact O-C 3.44Å; N226-N246 WeakPolarHBondContact O-CA 3.26Å; A234-N246 HydrophobicContact CB-CB 4.07Å; N236-N246 PolarHBondContact ND2-OD1 2.88Å; N246-A254 HydrophobicContact CB-CB 4.01Å; N246-N256 PolarHBondContact ND2-OD1 3.16Å; N246-Q265 PolarHBondContact N-O 2.83Å; N246-N266 WeakPolarHBondContact CB-OD1 3.36Å; N246-N266 PolarHBondContact ND2-OD1 3.19Å; N246-N266 CarbonylContact O-C 3.56Å; N246-N266 WeakPolarHBondContact O-CA 3.14Å; N246-Q267 PolarHBondContact O-N 3.04Å
247Q72.7Confident67.4Low69 Ų6955.6 Ų55.632%0.32230%0.3SS..EExtended strand (participates in β ladder)trans-123.2123.4175.9-59-173.414.900111.4N226 Q227 A228 Q267N226-Q247 PolarHBondContact O-N 2.92Å; Q227-Q247 CarbonylContact C-O 3.58Å; Q227-Q247 WeakPolarHBondContact CA-O 3.33Å; Q227-Q247 HydrophobicContact CG-CB 4.36Å; A228-Q247 PolarHBondContact N-O 3.27Å; Q247-Q267 CarbonylContact C-O 3.59Å; Q247-Q267 WeakPolarHBondContact CA-O 3.36Å; Q247-Q267 HydrophobicContact CG-CB 4.32Å
248G66Low67.1Low23 Ų2353.7 Ų53.724%0.23730%0.295CS..EExtended strand (participates in β ladder)trans-128.5137.8-176.200000113.6A228 Q267 A268 K269A228-G248 WeakPolarHBondContact O-CA 3.24Å; G248-Q267 PolarHBondContact N-O 3.43Å; G248-A268 WeakPolarHBondContact O-CA 3.39Å; G248-K269 PolarHBondContact O-N 2.9Å
249K64.9Low67.2Low109 Ų10957.8 Ų57.847%0.47431%0.307SS..EExtended strand (participates in β ladder)trans-83.3-43.2168-67-173.1-175.9-175.80112.2A228 K229 K269 K270A228-K249 PolarHBondContact O-N 2.83Å; A228-K249 VanDerWaalsContact O-N 3.1Å; K229-K249 HydrophobicContact CG-CD 4.48Å; K229-K249 WeakPolarHBondContact O-CB 3.35Å; K249-K269 HydrophobicContact CG-CD 4.34Å; K249-K269 WeakPolarHBondContact O-CB 3.29Å; K249-K270 PolarHBondContact O-N 3.01Å; K249-K270 VanDerWaalsContact O-N 3.15Å
250K63Low67.2Low110 Ų11057.1 Ų57.148%0.47830%0.304SS..EExtended strand (participates in β ladder)trans-145.1125.3174.4-85.9-176.5178-178.30108.4K229 K230 G231 K270K229-K250 PolarHBondContact O-N 3.14Å; K230-K250 VanDerWaalsContact CA-O 3.32Å; K230-K250 WeakPolarHBondContact CA-O 2.99Å; K230-K250 HydrophobicContact CG-CB 4.06Å; G231-K250 PolarHBondContact N-O 2.71Å; K250-K270 VanDerWaalsContact CA-O 3.27Å; K250-K270 WeakPolarHBondContact CA-O 3.26Å; K250-K270 HydrophobicContact CG-CB 4.18Å
251G59.5Low67.3Low32 Ų3253.2 Ų53.233%0.3329%0.294SS..EExtended strand (participates in β ladder)trans179.6158.5174.400000113.5G231 K270 G271 E272G231-G251 WeakPolarHBondContact O-CA 3.34Å; G251-K270 PolarHBondContact N-O 2.89Å; G251-G271 WeakPolarHBondContact O-CA 3.32Å; G251-E272 PolarHBondContact O-N 2.84Å
252E62.5Low67.6Low112 Ų11257.6 Ų57.652%0.52331%0.311SS..EExtended strand (participates in β ladder)trans-97.6134.3170.2-69171.3-161.800108.1G233 E272G233-E252 PolarHBondContact N-O 3.49Å; E252-E272 CarbonylContact C-O 3.57Å
253G65.3Low67.8Low34 Ų3453.6 Ų53.635%0.35130%0.296SS..EExtended strand (participates in β ladder)trans76.494.6167.700000115.7G233 A234 E272 G273G233-G253 CarbonylContact C-O 3.56Å; G233-G253 WeakPolarHBondContact CA-O 3.38Å; G233-G253 PolarHBondContact N-O 2.97Å; A234-G253 PolarHBondContact N-O 2.98Å; G253-E272 PolarHBondContact N-O 2.94Å; G253-G273 CarbonylContact C-O 3.6Å; G253-G273 VanDerWaalsContact CA-O 3.23Å; G253-G273 WeakPolarHBondContact CA-O 3.3Å
254A73.3Confident68.1Low22 Ų2252.8 Ų52.818%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-113.5117.4162.200000108.8A234 N246 N266 G273 A274 Q275A234-A254 WeakPolarHBondContact O-CA 3.38Å; N246-A254 HydrophobicContact CB-CB 4.01Å; A254-N266 HydrophobicContact CB-CB 4.1Å; A254-N266 PolarHBondContact O-ND2 2.96Å; A254-G273 PolarHBondContact N-O 2.85Å; A254-A274 CarbonylContact O-C 3.55Å; A254-A274 WeakPolarHBondContact O-CA 3.41Å; A254-Q275 PolarHBondContact O-N 3.31Å
255Q76.3Confident68.4Low36 Ų3654.5 Ų54.517%0.16829%0.292CS..EExtended strand (participates in β ladder)trans-126.6124-172.3-164.7179.4-69.400112.3A234 Q235 N236 Q257 Q275A234-Q255 PolarHBondContact O-N 3.44Å; Q235-Q255 CarbonylContact C-O 3.57Å; Q235-Q255 VanDerWaalsContact CA-O 3.32Å; Q235-Q255 WeakPolarHBondContact CA-O 3.35Å; Q235-Q255 HydrophobicContact CG-CB 4.23Å; N236-Q255 PolarHBondContact N-O 3.43Å; Q255-Q257 HydrophobicContact CG-CG 4.35Å; Q255-Q275 CarbonylContact C-O 3.55Å; Q255-Q275 VanDerWaalsContact CA-O 3.25Å; Q255-Q275 WeakPolarHBondContact CA-O 3.41Å; Q255-Q275 HydrophobicContact CG-CB 4.16Å
256N74.6Confident68.6Low5 Ų551.9 Ų51.93%0.02728%0.28CS..EExtended strand (participates in β ladder)trans-114.5128.1168.8-57.6-52.6000110.2N236 A244 N246 N266 Q275 N276 Q277N236-N256 WeakPolarHBondContact CB-OD1 3.25Å; N236-N256 PolarHBondContact ND2-OD1 3.33Å; N236-N256 CarbonylContact O-C 3.52Å; N236-N256 WeakPolarHBondContact O-CA 3.26Å; A244-N256 HydrophobicContact CB-CB 4.21Å; N246-N256 PolarHBondContact ND2-OD1 3.16Å; N256-N266 PolarHBondContact ND2-OD1 2.92Å; N256-Q275 PolarHBondContact N-O 2.89Å; N256-N276 WeakPolarHBondContact CB-OD1 3.45Å; N256-N276 PolarHBondContact ND2-OD1 3.16Å; N256-N276 CarbonylContact O-C 3.59Å; N256-N276 WeakPolarHBondContact O-CA 3.21Å; N256-Q277 PolarHBondContact O-N 3.5Å
257Q74Confident68.7Low66 Ų6655.1 Ų55.131%0.30830%0.295SS..EExtended strand (participates in β ladder)trans-120.2124.2172.7-59-166.76.100111.2N236 Q237 A238 Q255 Q277N236-Q257 PolarHBondContact O-N 3.17Å; Q237-Q257 WeakPolarHBondContact CA-O 3.38Å; Q237-Q257 HydrophobicContact CG-CB 4.28Å; A238-Q257 PolarHBondContact N-O 2.83Å; Q255-Q257 HydrophobicContact CG-CG 4.35Å; Q257-Q277 CarbonylContact C-O 3.6Å; Q257-Q277 WeakPolarHBondContact CA-O 3.22Å; Q257-Q277 HydrophobicContact CG-CB 4.31Å
258A67.2Low68.5Low24 Ų2453.5 Ų53.520%0.19829%0.294CS..EExtended strand (participates in β ladder)trans-129.5131.9177.200000112.2A238 Q277 G278 K279A238-A258 WeakPolarHBondContact O-CA 3.35Å; A258-Q277 PolarHBondContact N-O 3.07Å; A258-G278 VanDerWaalsContact O-CA 3.29Å; A258-G278 WeakPolarHBondContact O-CA 2.91Å; A258-K279 PolarHBondContact O-N 3.29Å; A258-K279 VanDerWaalsContact O-N 3.11Å
259K65.7Low68.6Low114 Ų11457.6 Ų57.650%0.49631%0.305SS..SBendtrans-79.6-33.3172.6-75.2173.7-179.3172.40112.3A238 K239 K279 K280A238-K259 PolarHBondContact O-N 2.82Å; K239-K259 HydrophobicContact CG-CD 4.07Å; K239-K259 WeakPolarHBondContact O-CB 3.24Å; K259-K279 HydrophobicContact CG-CD 4.27Å; K259-K279 WeakPolarHBondContact O-CB 3.44Å; K259-K280 PolarHBondContact O-N 3.03Å
260K64.4Low68.6Low116 Ų11657.4 Ų57.450%0.50430%0.304SS..SBendtrans-155.4130.9175.5-169.2-175.6-178.6-169.60110.4K239 K240 G241 K280K239-K260 PolarHBondContact O-N 2.99Å; K240-K260 VanDerWaalsContact CA-O 3.31Å; K240-K260 WeakPolarHBondContact CA-O 2.92Å; K240-K260 HydrophobicContact CG-CB 4.27Å; G241-K260 PolarHBondContact N-O 3.11Å; G241-K260 VanDerWaalsContact N-O 3.12Å; K260-K280 VanDerWaalsContact CA-O 3.32Å; K260-K280 WeakPolarHBondContact CA-O 3.47Å
261G61.9Low68.6Low24 Ų2453 Ų5325%0.24729%0.289CS..SBendtrans139-176.3169.300000113.8G241 K280 G281G241-G261 WeakPolarHBondContact O-CA 2.98Å; G261-K280 PolarHBondContact N-O 3.4Å; G261-K280 VanDerWaalsContact N-O 3.14Å; G261-G281 WeakPolarHBondContact O-CA 3.27Å
262E63.8Low68.9Low108 Ų10856.3 Ų56.351%0.50530%0.297SS..SBendtrans-63.7137.5176.1-65.3-173.7167.600111.2E242 G243E242-E262 HydrophobicContact CB-CB 4.23Å; E242-E262 HydrophobicContact CG-CB 4.17Å; E242-E262 HydrophobicContact CG-CG 4.09Å; G243-E262 PolarHBondContact N-O 2.87Å
263G64.5Low69.1Low15 Ų1552.3 Ų52.316%0.15529%0.285CS..PPolyproline II helixtrans-64.6164.3-167.100000114.4E282G263-E282 VanDerWaalsContact CA-O 3.31Å; G263-E282 WeakPolarHBondContact CA-O 3.44Å; G263-E282 PolarHBondContact N-O 2.93Å
264G71.3Confident69.6Low8 Ų851.6 Ų51.68%0.08228%0.276CS..PPolyproline II helixtrans-82.8149.317700000112.6A244 N276 A284 Q285A244-G264 CarbonylContact O-C 3.54Å; A244-G264 WeakPolarHBondContact O-CA 3.24Å; G264-N276 PolarHBondContact O-ND2 3.15Å; G264-A284 WeakPolarHBondContact O-CA 3.41Å; G264-Q285 PolarHBondContact O-N 2.84Å
265Q77.3Confident69.9Low55 Ų5553 Ų5326%0.25728%0.279SS..EExtended strand (participates in β ladder)trans-116.2125.4172.7-57.3-178-11.100110.5A244 Q245 N246 Q285A244-Q265 PolarHBondContact O-N 2.84Å; Q245-Q265 CarbonylContact C-O 3.57Å; Q245-Q265 VanDerWaalsContact CA-O 3.29Å; Q245-Q265 WeakPolarHBondContact CA-O 3.32Å; Q245-Q265 HydrophobicContact CG-CB 4.23Å; N246-Q265 PolarHBondContact N-O 2.83Å; Q265-Q285 CarbonylContact C-O 3.59Å; Q265-Q285 VanDerWaalsContact CA-O 3.26Å; Q265-Q285 WeakPolarHBondContact CA-O 3.26Å; Q265-Q285 HydrophobicContact CG-CB 4.28Å
266N77.7Confident70.1Confident4 Ų451.6 Ų51.62%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-114.8126.9171.5-58.4-49.6000110N246 A254 N256 A274 N276 Q285 N286 Q287N246-N266 WeakPolarHBondContact CB-OD1 3.36Å; N246-N266 PolarHBondContact ND2-OD1 3.19Å; N246-N266 CarbonylContact O-C 3.56Å; N246-N266 WeakPolarHBondContact O-CA 3.14Å; A254-N266 HydrophobicContact CB-CB 4.1Å; A254-N266 PolarHBondContact O-ND2 2.96Å; N256-N266 PolarHBondContact ND2-OD1 2.92Å; N266-A274 HydrophobicContact CB-CB 4.03Å; N266-N276 PolarHBondContact ND2-OD1 3.48Å; N266-Q285 PolarHBondContact N-O 3.42Å; N266-N286 WeakPolarHBondContact CB-OD1 3.35Å; N266-N286 PolarHBondContact ND2-OD1 2.92Å; N266-N286 CarbonylContact O-C 3.59Å; N266-N286 WeakPolarHBondContact O-CA 3.48Å; N266-Q287 PolarHBondContact O-N 2.93Å
267Q75.7Confident70.1Confident72 Ų7254.6 Ų54.634%0.33629%0.286SS..EExtended strand (participates in β ladder)trans-121.5122.4174.9-57.7-172.213.200110.8N246 Q247 G248 Q287N246-Q267 PolarHBondContact O-N 3.04Å; Q247-Q267 CarbonylContact C-O 3.59Å; Q247-Q267 WeakPolarHBondContact CA-O 3.36Å; Q247-Q267 HydrophobicContact CG-CB 4.32Å; G248-Q267 PolarHBondContact N-O 3.43Å; Q267-Q287 CarbonylContact C-O 3.46Å; Q267-Q287 WeakPolarHBondContact CA-O 3.34Å; Q267-Q287 HydrophobicContact CG-CB 4.33Å
268A69.9Low69.9Low35 Ų3552.6 Ų52.629%0.28928%0.283SS..EExtended strand (participates in β ladder)trans-128.8133.8178.900000112.3G248 Q287 G288 K289G248-A268 WeakPolarHBondContact O-CA 3.39Å; A268-Q287 PolarHBondContact N-O 2.92Å; A268-G288 VanDerWaalsContact O-CA 3.27Å; A268-G288 WeakPolarHBondContact O-CA 3.33Å; A268-K289 PolarHBondContact O-N 2.95Å; A268-K289 VanDerWaalsContact O-N 3.11Å
269K67.3Low69.9Low109 Ų10956.5 Ų56.547%0.47430%0.295SS..EExtended strand (participates in β ladder)trans-75.6-42.3169.7-69.1-175.9-175.2-178.40111.4G248 K249 K289 K290G248-K269 PolarHBondContact O-N 2.9Å; K249-K269 HydrophobicContact CG-CD 4.34Å; K249-K269 WeakPolarHBondContact O-CB 3.29Å; K269-K289 HydrophobicContact CG-CD 4.41Å; K269-K289 WeakPolarHBondContact O-CB 3.35Å; K269-K290 PolarHBondContact O-N 2.91Å
270K66.1Low69.9Low105 Ų10556.9 Ų56.946%0.45730%0.297SS..EExtended strand (participates in β ladder)trans-143.4127172-168.1-174.6179-163.90108.3K249 K250 G251 K290K249-K270 PolarHBondContact O-N 3.01Å; K249-K270 VanDerWaalsContact O-N 3.15Å; K250-K270 VanDerWaalsContact CA-O 3.27Å; K250-K270 WeakPolarHBondContact CA-O 3.26Å; K250-K270 HydrophobicContact CG-CB 4.18Å; G251-K270 PolarHBondContact N-O 2.89Å; K270-K290 VanDerWaalsContact CA-O 3.25Å; K270-K290 WeakPolarHBondContact CA-O 2.92Å
271G62.7Low69.8Low16 Ų1652.5 Ų52.517%0.16529%0.285CS..EExtended strand (participates in β ladder)trans178.8163.7176.900000114.1G251 K290 G291 E292G251-G271 WeakPolarHBondContact O-CA 3.32Å; G271-K290 PolarHBondContact N-O 2.92Å; G271-G291 WeakPolarHBondContact O-CA 3.39Å; G271-E292 PolarHBondContact O-N 2.91Å
272E65.1Low70Confident103 Ų10356.7 Ų56.748%0.48130%0.298SS..EExtended strand (participates in β ladder)trans-112138.6176-66.5173-16300108.5G251 E252 G253 E292G251-E272 PolarHBondContact O-N 2.84Å; E252-E272 CarbonylContact C-O 3.57Å; G253-E272 PolarHBondContact N-O 2.94Å; E272-E292 CarbonylContact C-O 3.55Å; E272-E292 WeakPolarHBondContact CA-O 3.25Å; E272-E292 HydrophobicContact CG-CB 4.34Å
273G67Low70Confident27 Ų2753 Ų5328%0.27829%0.289SS..EExtended strand (participates in β ladder)trans77.468166.500000116.5G253 A254 E292 G293G253-G273 CarbonylContact C-O 3.6Å; G253-G273 VanDerWaalsContact CA-O 3.23Å; G253-G273 WeakPolarHBondContact CA-O 3.3Å; A254-G273 PolarHBondContact N-O 2.85Å; G273-E292 PolarHBondContact N-O 2.83Å; G273-G293 CarbonylContact C-O 3.55Å; G273-G293 VanDerWaalsContact CA-O 3.24Å; G273-G293 WeakPolarHBondContact CA-O 3.45Å
274A76Confident70.6Confident20 Ų2053.1 Ų53.117%0.16529%0.289CS..EExtended strand (participates in β ladder)trans-94117.4167.500000110.1A254 N266 N286 G293 A294 Q295A254-A274 CarbonylContact O-C 3.55Å; A254-A274 WeakPolarHBondContact O-CA 3.41Å; N266-A274 HydrophobicContact CB-CB 4.03Å; A274-N286 HydrophobicContact CB-CB 4.14Å; A274-G293 PolarHBondContact N-O 3.04Å; A274-A294 CarbonylContact O-C 3.6Å; A274-A294 WeakPolarHBondContact O-CA 3.26Å; A274-Q295 PolarHBondContact O-N 3.02Å
275Q79.8Confident71.1Confident52 Ų5254.9 Ų54.924%0.24330%0.295CS..EExtended strand (participates in β ladder)trans-125.9129.8-174-66-171.4-27.200112.3A254 Q255 N256 Q295A254-Q275 PolarHBondContact O-N 3.31Å; Q255-Q275 CarbonylContact C-O 3.55Å; Q255-Q275 VanDerWaalsContact CA-O 3.25Å; Q255-Q275 WeakPolarHBondContact CA-O 3.41Å; Q255-Q275 HydrophobicContact CG-CB 4.16Å; N256-Q275 PolarHBondContact N-O 2.89Å; Q275-Q295 CarbonylContact C-O 3.57Å; Q275-Q295 VanDerWaalsContact CA-O 3.26Å; Q275-Q295 WeakPolarHBondContact CA-O 3.41Å; Q275-Q295 HydrophobicContact CG-CB 4.27Å
276N79.2Confident71.3Confident6 Ų652.5 Ų52.53%0.03228%0.284CS..EExtended strand (participates in β ladder)trans-120.2126.8167.1-59.6-56.2000109.8N256 G264 N266 A284 N286 Q295 N296 Q297N256-N276 WeakPolarHBondContact CB-OD1 3.45Å; N256-N276 PolarHBondContact ND2-OD1 3.16Å; N256-N276 CarbonylContact O-C 3.59Å; N256-N276 WeakPolarHBondContact O-CA 3.21Å; G264-N276 PolarHBondContact O-ND2 3.15Å; N266-N276 PolarHBondContact ND2-OD1 3.48Å; N276-A284 HydrophobicContact CB-CB 3.87Å; N276-N286 PolarHBondContact ND2-OD1 2.83Å; N276-Q295 PolarHBondContact N-O 2.99Å; N276-N296 WeakPolarHBondContact CB-OD1 3.29Å; N276-N296 PolarHBondContact ND2-OD1 3.12Å; N276-N296 CarbonylContact O-C 3.56Å; N276-N296 WeakPolarHBondContact O-CA 3.33Å; N276-Q297 PolarHBondContact O-N 2.95Å
277Q76.6Confident71.4Confident68 Ų6855.8 Ų55.832%0.31830%0.299SS..EExtended strand (participates in β ladder)trans-123.7126.2178.3-58.7-173.41600111.6N256 Q257 A258 Q297N256-Q277 PolarHBondContact O-N 3.5Å; Q257-Q277 CarbonylContact C-O 3.6Å; Q257-Q277 WeakPolarHBondContact CA-O 3.22Å; Q257-Q277 HydrophobicContact CG-CB 4.31Å; A258-Q277 PolarHBondContact N-O 3.07Å; Q277-Q297 CarbonylContact C-O 3.55Å; Q277-Q297 WeakPolarHBondContact CA-O 3.35Å; Q277-Q297 HydrophobicContact CG-CB 4.36Å
278G69Low71.1Confident23 Ų2353.5 Ų53.524%0.23730%0.295CS..EExtended strand (participates in β ladder)trans-132.4138.8-175.100000114A258 Q297 A298 K299A258-G278 VanDerWaalsContact O-CA 3.29Å; A258-G278 WeakPolarHBondContact O-CA 2.91Å; G278-Q297 PolarHBondContact N-O 2.87Å; G278-A298 CarbonylContact O-C 3.6Å; G278-A298 VanDerWaalsContact O-CA 3.3Å; G278-A298 WeakPolarHBondContact O-CA 3.45Å; G278-K299 PolarHBondContact O-N 3.44Å
279K67Low71.2Confident106 Ų10657 Ų5746%0.46130%0.303SS..EExtended strand (participates in β ladder)trans-83.1-42.3165.3-67.2-172.1-176.4-174.10112A258 K259 K299 K300A258-K279 PolarHBondContact O-N 3.29Å; A258-K279 VanDerWaalsContact O-N 3.11Å; K259-K279 HydrophobicContact CG-CD 4.27Å; K259-K279 WeakPolarHBondContact O-CB 3.44Å; K279-K299 HydrophobicContact CG-CD 4.3Å; K279-K299 WeakPolarHBondContact O-CB 3.39Å; K279-K300 PolarHBondContact O-N 2.97Å; K279-K300 VanDerWaalsContact O-N 3.11Å
280K66.5Low71.3Confident122 Ų12257 Ų5753%0.5330%0.303SS..EExtended strand (participates in β ladder)trans-143.5119173.5-72.9-173.9178.7-178.20108.2K259 K260 G261 K300K259-K280 PolarHBondContact O-N 3.03Å; K260-K280 VanDerWaalsContact CA-O 3.32Å; K260-K280 WeakPolarHBondContact CA-O 3.47Å; G261-K280 PolarHBondContact N-O 3.4Å; G261-K280 VanDerWaalsContact N-O 3.14Å; K280-K300 VanDerWaalsContact CA-O 3.27Å; K280-K300 WeakPolarHBondContact CA-O 3.22Å; K280-K300 HydrophobicContact CG-CB 4.29Å
281G61.8Low71.2Confident25 Ų2553.1 Ų53.126%0.25829%0.294SS..  trans-178.2159.5176.200000113.6G261 K300 G301G261-G281 WeakPolarHBondContact O-CA 3.27Å; G281-K300 PolarHBondContact N-O 2.98Å; G281-G301 WeakPolarHBondContact O-CA 3.36Å
282E65Low71.3Confident111 Ų11157.2 Ų57.252%0.51931%0.308SS..SBendtrans-112.4144.6179.9-66.6170.8-163.500109.3G263 E302G263-E282 VanDerWaalsContact CA-O 3.31Å; G263-E282 WeakPolarHBondContact CA-O 3.44Å; G263-E282 PolarHBondContact N-O 2.93Å; E282-E302 CarbonylContact C-O 3.51Å; E282-E302 VanDerWaalsContact CA-O 3.29Å; E282-E302 WeakPolarHBondContact CA-O 3.45Å; E282-E302 HydrophobicContact CG-CB 4.28Å
283G65.4Low71.5Confident30 Ų3053.6 Ų53.631%0.30930%0.299SS..  trans8136.3161.500000117.7Q285 E302 G303G283-Q285 PolarHBondContact O-N 3.44Å; G283-E302 PolarHBondContact N-O 3.48Å; G283-G303 CarbonylContact C-O 3.6Å; G283-G303 WeakPolarHBondContact CA-O 3.48Å; G283-G303 PolarHBondContact N-O 2.89Å
284A77.2Confident72Confident18 Ų1853.4 Ų53.415%0.14929%0.294CS..  trans-72.1122.4171.900000111.1G264 N276 N296 G303 A304 Q305G264-A284 WeakPolarHBondContact O-CA 3.41Å; N276-A284 HydrophobicContact CB-CB 3.87Å; A284-N296 HydrophobicContact CB-CB 4.31Å; A284-G303 PolarHBondContact N-O 3.19Å; A284-A304 CarbonylContact O-C 3.59Å; A284-A304 WeakPolarHBondContact O-CA 3.16Å; A284-Q305 PolarHBondContact O-N 3.5Å
285Q81.2Confident72.3Confident45 Ų4554.7 Ų54.721%0.2130%0.297CS..EExtended strand (participates in β ladder)trans-128.6132.6-175.7-61.2-176.9-39.600112.6G264 Q265 N266 G283 Q305G264-Q285 PolarHBondContact O-N 2.84Å; Q265-Q285 CarbonylContact C-O 3.59Å; Q265-Q285 VanDerWaalsContact CA-O 3.26Å; Q265-Q285 WeakPolarHBondContact CA-O 3.26Å; Q265-Q285 HydrophobicContact CG-CB 4.28Å; N266-Q285 PolarHBondContact N-O 3.42Å; G283-Q285 PolarHBondContact O-N 3.44Å; Q285-Q305 CarbonylContact C-O 3.58Å; Q285-Q305 VanDerWaalsContact CA-O 3.29Å; Q285-Q305 WeakPolarHBondContact CA-O 3.42Å; Q285-Q305 HydrophobicContact CG-CB 4.27Å
286N81.9Confident72.5Confident5 Ų552.4 Ų52.43%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-119.8127.2167.5-58.6-53.3000110N266 A274 N276 A294 N296 Q305 N306 Q307N266-N286 WeakPolarHBondContact CB-OD1 3.35Å; N266-N286 PolarHBondContact ND2-OD1 2.92Å; N266-N286 CarbonylContact O-C 3.59Å; N266-N286 WeakPolarHBondContact O-CA 3.48Å; A274-N286 HydrophobicContact CB-CB 4.14Å; N276-N286 PolarHBondContact ND2-OD1 2.83Å; N286-A294 HydrophobicContact CB-CB 4.04Å; N286-N296 PolarHBondContact ND2-OD1 2.8Å; N286-Q305 PolarHBondContact N-O 3Å; N286-N306 WeakPolarHBondContact CB-OD1 3.31Å; N286-N306 PolarHBondContact ND2-OD1 3.01Å; N286-N306 CarbonylContact O-C 3.55Å; N286-N306 WeakPolarHBondContact O-CA 3.29Å; N286-Q307 PolarHBondContact O-N 2.85Å
287Q78.8Confident72.5Confident74 Ų7455.5 Ų55.535%0.34630%0.301SS..EExtended strand (participates in β ladder)trans-124.4127.5177.8-59-173.115.300111.7N266 Q267 A268 Q307N266-Q287 PolarHBondContact O-N 2.93Å; Q267-Q287 CarbonylContact C-O 3.46Å; Q267-Q287 WeakPolarHBondContact CA-O 3.34Å; Q267-Q287 HydrophobicContact CG-CB 4.33Å; A268-Q287 PolarHBondContact N-O 2.92Å; Q287-Q307 CarbonylContact C-O 3.56Å; Q287-Q307 WeakPolarHBondContact CA-O 3.38Å; Q287-Q307 HydrophobicContact CG-CB 4.39Å
288G70.8Confident72.3Confident23 Ų2353.8 Ų53.824%0.23730%0.299CS..EExtended strand (participates in β ladder)trans-133.2140.3-175.200000113.9A268 Q307 A308 K309A268-G288 VanDerWaalsContact O-CA 3.27Å; A268-G288 WeakPolarHBondContact O-CA 3.33Å; G288-Q307 PolarHBondContact N-O 2.85Å; G288-A308 CarbonylContact O-C 3.53Å; G288-A308 VanDerWaalsContact O-CA 3.29Å; G288-A308 WeakPolarHBondContact O-CA 3.27Å; G288-K309 PolarHBondContact O-N 2.85Å
289K71.1Confident72.4Confident108 Ų10857.9 Ų57.947%0.4731%0.31SS..EExtended strand (participates in β ladder)trans-82.4-45163.8-64-173.7-177.9-172.80111.5A268 K269 K309 K310A268-K289 PolarHBondContact O-N 2.95Å; A268-K289 VanDerWaalsContact O-N 3.11Å; K269-K289 HydrophobicContact CG-CD 4.41Å; K269-K289 WeakPolarHBondContact O-CB 3.35Å; K289-K309 HydrophobicContact CG-CD 4.36Å; K289-K309 WeakPolarHBondContact O-CB 2.98Å; K289-K310 PolarHBondContact O-N 2.83Å
290K68.7Low72.4Confident109 Ų10958.8 Ų58.847%0.47431%0.314SS..EExtended strand (participates in β ladder)trans-141.5123.8174.4-168-179.5179.2-173.50108.9K269 K270 G271 K310K269-K290 PolarHBondContact O-N 2.91Å; K270-K290 VanDerWaalsContact CA-O 3.25Å; K270-K290 WeakPolarHBondContact CA-O 2.92Å; G271-K290 PolarHBondContact N-O 2.92Å; K290-K310 VanDerWaalsContact CA-O 3.25Å; K290-K310 WeakPolarHBondContact CA-O 3.35Å
291G63.5Low72.3Confident25 Ų2553.8 Ų53.826%0.25830%0.297SS..EExtended strand (participates in β ladder)trans-178162.6176.800000114.8G271 K310 G311 E312G271-G291 WeakPolarHBondContact O-CA 3.39Å; G291-K310 PolarHBondContact N-O 3.31Å; G291-K310 VanDerWaalsContact N-O 3.16Å; G291-G311 WeakPolarHBondContact O-CA 3.25Å; G291-E312 PolarHBondContact O-N 3.11Å
292E66.2Low72.5Confident101 Ų10157.6 Ų57.647%0.47231%0.308SS..EExtended strand (participates in β ladder)trans-115139.5178-62.3173.5-16300108.8G271 E272 G273 E312G271-E292 PolarHBondContact O-N 2.91Å; E272-E292 CarbonylContact C-O 3.55Å; E272-E292 WeakPolarHBondContact CA-O 3.25Å; E272-E292 HydrophobicContact CG-CB 4.34Å; G273-E292 PolarHBondContact N-O 2.83Å; E292-E312 CarbonylContact C-O 3.56Å; E292-E312 WeakPolarHBondContact CA-O 3.31Å; E292-E312 HydrophobicContact CG-CB 4.32Å
293G68.3Low72.6Confident27 Ų2753.4 Ų53.428%0.27830%0.295SS..EExtended strand (participates in β ladder)trans75.569.1168.800000115.7G273 A274 E312 G313G273-G293 CarbonylContact C-O 3.55Å; G273-G293 VanDerWaalsContact CA-O 3.24Å; G273-G293 WeakPolarHBondContact CA-O 3.45Å; A274-G293 PolarHBondContact N-O 3.04Å; G293-E312 PolarHBondContact N-O 3.08Å; G293-G313 CarbonylContact C-O 3.58Å; G293-G313 VanDerWaalsContact CA-O 3.25Å; G293-G313 WeakPolarHBondContact CA-O 3.37Å; G293-G313 PolarHBondContact N-O 3.03Å
294A78.9Confident73.3Confident23 Ų2353 Ų5319%0.1929%0.289CS..EExtended strand (participates in β ladder)trans-96.2117.1166.800000110A274 N286 N306 G313 A314 Q315A274-A294 CarbonylContact O-C 3.6Å; A274-A294 WeakPolarHBondContact O-CA 3.26Å; N286-A294 HydrophobicContact CB-CB 4.04Å; A294-N306 HydrophobicContact CB-CB 4.16Å; A294-G313 PolarHBondContact N-O 2.74Å; A294-A314 CarbonylContact O-C 3.51Å; A294-A314 WeakPolarHBondContact O-CA 3.48Å; A294-Q315 PolarHBondContact O-N 3.49Å
295Q82.5Confident73.6Confident48 Ų4854.4 Ų54.422%0.22429%0.292CS..EExtended strand (participates in β ladder)trans-127129.5-176.2-58.5-179.2-38.100112.4A274 Q275 N276 Q315A274-Q295 PolarHBondContact O-N 3.02Å; Q275-Q295 CarbonylContact C-O 3.57Å; Q275-Q295 VanDerWaalsContact CA-O 3.26Å; Q275-Q295 WeakPolarHBondContact CA-O 3.41Å; Q275-Q295 HydrophobicContact CG-CB 4.27Å; N276-Q295 PolarHBondContact N-O 2.99Å; Q295-Q315 CarbonylContact C-O 3.59Å; Q295-Q315 VanDerWaalsContact CA-O 3.24Å; Q295-Q315 WeakPolarHBondContact CA-O 3.4Å; Q295-Q315 HydrophobicContact CG-CB 4.25Å
296N82.4Confident73.7Confident3 Ų352.5 Ų52.52%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-118128.2168-58.5-52000109.6N276 A284 N286 A304 N306 Q315 N316 Q317N276-N296 WeakPolarHBondContact CB-OD1 3.29Å; N276-N296 PolarHBondContact ND2-OD1 3.12Å; N276-N296 CarbonylContact O-C 3.56Å; N276-N296 WeakPolarHBondContact O-CA 3.33Å; A284-N296 HydrophobicContact CB-CB 4.31Å; N286-N296 PolarHBondContact ND2-OD1 2.8Å; N296-A304 HydrophobicContact CB-CB 3.89Å; N296-N306 PolarHBondContact ND2-OD1 3.15Å; N296-Q315 PolarHBondContact N-O 3.4Å; N296-N316 WeakPolarHBondContact CB-OD1 3.37Å; N296-N316 PolarHBondContact ND2-OD1 3.13Å; N296-N316 CarbonylContact O-C 3.18Å; N296-N316 WeakPolarHBondContact O-CA 3.27Å; N296-Q317 PolarHBondContact O-N 3.4Å
297Q79.6Confident73.7Confident71 Ų7155.8 Ų55.833%0.33230%0.299SS..EExtended strand (participates in β ladder)trans-124.6124.1177-58.4-172.714.900110.8N276 Q277 G278 Q317N276-Q297 PolarHBondContact O-N 2.95Å; Q277-Q297 CarbonylContact C-O 3.55Å; Q277-Q297 WeakPolarHBondContact CA-O 3.35Å; Q277-Q297 HydrophobicContact CG-CB 4.36Å; G278-Q297 PolarHBondContact N-O 2.87Å; Q297-Q317 CarbonylContact C-O 3.53Å; Q297-Q317 WeakPolarHBondContact CA-O 3.34Å; Q297-Q317 HydrophobicContact CG-CB 4.32Å
298A72.7Confident73.6Confident33 Ų3353.8 Ų53.827%0.27329%0.294SS..EExtended strand (participates in β ladder)trans-131.6135.6177.700000112.6G278 Q317 G318 K319G278-A298 CarbonylContact O-C 3.6Å; G278-A298 VanDerWaalsContact O-CA 3.3Å; G278-A298 WeakPolarHBondContact O-CA 3.45Å; A298-Q317 PolarHBondContact N-O 3.47Å; A298-G318 VanDerWaalsContact O-CA 3.28Å; A298-G318 WeakPolarHBondContact O-CA 3.36Å; A298-K319 PolarHBondContact O-N 2.94Å; A298-K319 VanDerWaalsContact O-N 3.12Å
299K70.2Confident73.8Confident108 Ų10858 Ų5847%0.4731%0.306SS..EExtended strand (participates in β ladder)trans-76-40.7169.9-67.1-174.1-176.4-176.70111.7G278 K279 K319 K320G278-K299 PolarHBondContact O-N 3.44Å; K279-K299 HydrophobicContact CG-CD 4.3Å; K279-K299 WeakPolarHBondContact O-CB 3.39Å; K299-K319 HydrophobicContact CG-CD 4.39Å; K299-K319 WeakPolarHBondContact O-CB 3.37Å; K299-K320 PolarHBondContact O-N 2.92Å; K299-K320 VanDerWaalsContact O-N 3.13Å
300K68.5Low73.9Confident125 Ų12557.5 Ų57.554%0.54330%0.304SS..EExtended strand (participates in β ladder)trans-140.9125.3170.1-164.3-172.6-179.3-162.10107.7K279 K280 G281 K320K279-K300 PolarHBondContact O-N 2.97Å; K279-K300 VanDerWaalsContact O-N 3.11Å; K280-K300 VanDerWaalsContact CA-O 3.27Å; K280-K300 WeakPolarHBondContact CA-O 3.22Å; K280-K300 HydrophobicContact CG-CB 4.29Å; G281-K300 PolarHBondContact N-O 2.98Å; K300-K320 VanDerWaalsContact CA-O 3.24Å; K300-K320 WeakPolarHBondContact CA-O 3.41Å; K300-K320 HydrophobicContact CG-CB 4.28Å
301G63.5Low73.7Confident17 Ų1753 Ų5318%0.17529%0.289CS..EExtended strand (participates in β ladder)trans179.5158.6178.600000114.5G281 K320 G321 E322G281-G301 WeakPolarHBondContact O-CA 3.36Å; G301-K320 PolarHBondContact N-O 2.91Å; G301-K320 VanDerWaalsContact N-O 3.11Å; G301-G321 WeakPolarHBondContact O-CA 2.89Å; G301-E322 PolarHBondContact O-N 3.48Å
302E66Low74Confident105 Ų10556.4 Ų56.449%0.49130%0.298SS..EExtended strand (participates in β ladder)trans-113.5143.2176.8-63.8172-164.200109.3E282 G283 E322E282-E302 CarbonylContact C-O 3.51Å; E282-E302 VanDerWaalsContact CA-O 3.29Å; E282-E302 WeakPolarHBondContact CA-O 3.45Å; E282-E302 HydrophobicContact CG-CB 4.28Å; G283-E302 PolarHBondContact N-O 3.48Å; E302-E322 WeakPolarHBondContact CA-O 3.38Å; E302-E322 HydrophobicContact CG-CB 4.39Å
303G68.3Low74.2Confident24 Ų2452.9 Ų52.925%0.24729%0.289CS..  trans74.562.8165.500000116.4G283 A284 E322 G323G283-G303 CarbonylContact C-O 3.6Å; G283-G303 WeakPolarHBondContact CA-O 3.48Å; G283-G303 PolarHBondContact N-O 2.89Å; A284-G303 PolarHBondContact N-O 3.19Å; G303-E322 PolarHBondContact N-O 2.92Å; G303-G323 WeakPolarHBondContact CA-O 3.35Å
304A78.3Confident74.7Confident22 Ų2252.6 Ų52.618%0.18228%0.284CS..  trans-91.4120.5168.300000110.5A284 N296 N316 G323 A324 Q325A284-A304 CarbonylContact O-C 3.59Å; A284-A304 WeakPolarHBondContact O-CA 3.16Å; N296-A304 HydrophobicContact CB-CB 3.89Å; A304-N316 HydrophobicContact CB-CB 4.2Å; A304-G323 PolarHBondContact N-O 2.87Å; A304-A324 CarbonylContact O-C 3.57Å; A304-A324 WeakPolarHBondContact O-CA 3.23Å; A304-Q325 PolarHBondContact O-N 3.5Å
305Q83.4Confident74.9Confident47 Ų4753.7 Ų53.722%0.2229%0.285CS..EExtended strand (participates in β ladder)trans-126.6129.9-176.6-60.3-179.1-32.700112.8A284 Q285 N286 Q325A284-Q305 PolarHBondContact O-N 3.5Å; Q285-Q305 CarbonylContact C-O 3.58Å; Q285-Q305 VanDerWaalsContact CA-O 3.29Å; Q285-Q305 WeakPolarHBondContact CA-O 3.42Å; Q285-Q305 HydrophobicContact CG-CB 4.27Å; N286-Q305 PolarHBondContact N-O 3Å; Q305-Q325 CarbonylContact C-O 3.54Å; Q305-Q325 VanDerWaalsContact CA-O 3.27Å; Q305-Q325 WeakPolarHBondContact CA-O 3.24Å; Q305-Q325 HydrophobicContact CG-CB 4.26Å
306N84.1Confident75Confident5 Ų551.5 Ų51.53%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-117.8126.4168-57.7-52.6000110N286 A294 N296 A314 N316 Q325 N326 Q327N286-N306 WeakPolarHBondContact CB-OD1 3.31Å; N286-N306 PolarHBondContact ND2-OD1 3.01Å; N286-N306 CarbonylContact O-C 3.55Å; N286-N306 WeakPolarHBondContact O-CA 3.29Å; A294-N306 HydrophobicContact CB-CB 4.16Å; N296-N306 PolarHBondContact ND2-OD1 3.15Å; N306-A314 HydrophobicContact CB-CB 4Å; N306-N316 PolarHBondContact ND2-OD1 2.85Å; N306-Q325 PolarHBondContact N-O 2.91Å; N306-N326 WeakPolarHBondContact CB-OD1 3.29Å; N306-N326 PolarHBondContact ND2-OD1 2.89Å; N306-N326 CarbonylContact O-C 3.44Å; N306-N326 WeakPolarHBondContact O-CA 3.4Å; N306-Q327 PolarHBondContact O-N 3.1Å
307Q82.2Confident74.8Confident74 Ų7454.7 Ų54.735%0.34629%0.29SS..EExtended strand (participates in β ladder)trans-124.6124.5177-59.4-173.216.700111N286 Q287 G288 Q327N286-Q307 PolarHBondContact O-N 2.85Å; Q287-Q307 CarbonylContact C-O 3.56Å; Q287-Q307 WeakPolarHBondContact CA-O 3.38Å; Q287-Q307 HydrophobicContact CG-CB 4.39Å; G288-Q307 PolarHBondContact N-O 2.85Å; Q307-Q327 CarbonylContact C-O 3.5Å; Q307-Q327 WeakPolarHBondContact CA-O 3.38Å; Q307-Q327 HydrophobicContact CG-CB 4.35Å
308A77.3Confident74.4Confident31 Ų3152.4 Ų52.426%0.25629%0.285SS..EExtended strand (participates in β ladder)trans-132.2137.7178.700000112.7G288 Q327 S328 K329G288-A308 CarbonylContact O-C 3.53Å; G288-A308 VanDerWaalsContact O-CA 3.29Å; G288-A308 WeakPolarHBondContact O-CA 3.27Å; A308-Q327 PolarHBondContact N-O 3.05Å; A308-S328 WeakPolarHBondContact O-CA 3.46Å; A308-K329 PolarHBondContact O-N 3.32Å; A308-K329 VanDerWaalsContact O-N 3.15Å
309K74.7Confident74.3Confident111 Ų11156.7 Ų56.748%0.48330%0.298SS..EExtended strand (participates in β ladder)trans-74.1-45.9168.1-65.9-175-176.7-174.60111.1G288 K289 K329 K330G288-K309 PolarHBondContact O-N 2.85Å; K289-K309 HydrophobicContact CG-CD 4.36Å; K289-K309 WeakPolarHBondContact O-CB 2.98Å; K309-K329 HydrophobicContact CG-CD 4.48Å; K309-K329 WeakPolarHBondContact O-CB 3.38Å; K309-K330 PolarHBondContact O-N 2.86Å
310K72.5Confident74.3Confident99 Ų9957.3 Ų57.343%0.4330%0.3SS..EExtended strand (participates in β ladder)trans-135.3127.1170.5-169.6-178.9179.1-171.40108.7K289 K290 G291 K330K289-K310 PolarHBondContact O-N 2.83Å; K290-K310 VanDerWaalsContact CA-O 3.25Å; K290-K310 WeakPolarHBondContact CA-O 3.35Å; G291-K310 PolarHBondContact N-O 3.31Å; G291-K310 VanDerWaalsContact N-O 3.16Å; K310-K330 VanDerWaalsContact CA-O 3.24Å; K310-K330 WeakPolarHBondContact CA-O 2.98Å
311G65.7Low74Confident15 Ų1552.5 Ų52.516%0.15529%0.286CS..EExtended strand (participates in β ladder)trans-177.7163.3175.300000115.1G291 K330 G331 E332G291-G311 WeakPolarHBondContact O-CA 3.25Å; G311-K330 PolarHBondContact N-O 3.1Å; G311-K330 VanDerWaalsContact N-O 3.11Å; G311-G331 WeakPolarHBondContact O-CA 3.34Å; G311-E332 PolarHBondContact O-N 2.9Å
312E69.1Low74.1Confident95 Ų9556.6 Ų56.644%0.44430%0.301SS..EExtended strand (participates in β ladder)trans-120139.5179.4-64.5171.3-160.100108.9G291 E292 G293 E332G291-E312 PolarHBondContact O-N 3.11Å; E292-E312 CarbonylContact C-O 3.56Å; E292-E312 WeakPolarHBondContact CA-O 3.31Å; E292-E312 HydrophobicContact CG-CB 4.32Å; G293-E312 PolarHBondContact N-O 3.08Å; E312-E332 CarbonylContact C-O 3.53Å; E312-E332 WeakPolarHBondContact CA-O 3.37Å; E312-E332 HydrophobicContact CG-CB 4.32Å
313G69.6Low74.2Confident27 Ų2753 Ų5328%0.27829%0.292SS..EExtended strand (participates in β ladder)trans73.873171.100000115.4G293 A294 E332 G333G293-G313 CarbonylContact C-O 3.58Å; G293-G313 VanDerWaalsContact CA-O 3.25Å; G293-G313 WeakPolarHBondContact CA-O 3.37Å; G293-G313 PolarHBondContact N-O 3.03Å; A294-G313 PolarHBondContact N-O 2.74Å; G313-E332 PolarHBondContact N-O 3.13Å; G313-G333 WeakPolarHBondContact CA-O 3.39Å
314A80.1Confident74.7Confident21 Ų2152.9 Ų52.917%0.17429%0.289CS..EExtended strand (participates in β ladder)trans-101.7116.2168.200000109.9A294 N306 N326 G333 A334 Q335A294-A314 CarbonylContact O-C 3.51Å; A294-A314 WeakPolarHBondContact O-CA 3.48Å; N306-A314 HydrophobicContact CB-CB 4Å; A314-N326 HydrophobicContact CB-CB 4.15Å; A314-G333 PolarHBondContact N-O 3.05Å; A314-A334 CarbonylContact O-C 3.57Å; A314-A334 WeakPolarHBondContact O-CA 3.5Å; A314-Q335 PolarHBondContact O-N 3.49Å
315Q83Confident74.9Confident46 Ų4654 Ų5422%0.21529%0.29CS..EExtended strand (participates in β ladder)trans-126.8128.9-175.6-58.3-178.9-45.400112.3A294 Q295 N296 Q335A294-Q315 PolarHBondContact O-N 3.49Å; Q295-Q315 CarbonylContact C-O 3.59Å; Q295-Q315 VanDerWaalsContact CA-O 3.24Å; Q295-Q315 WeakPolarHBondContact CA-O 3.4Å; Q295-Q315 HydrophobicContact CG-CB 4.25Å; N296-Q315 PolarHBondContact N-O 3.4Å; Q315-Q335 CarbonylContact C-O 3.56Å; Q315-Q335 VanDerWaalsContact CA-O 3.26Å; Q315-Q335 WeakPolarHBondContact CA-O 3.43Å; Q315-Q335 HydrophobicContact CG-CB 4.25Å
316N83.3Confident75Confident3 Ų352 Ų522%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-116.7127168.6-58.7-52.9000109.5N296 A304 N306 A324 N326 Q335 N336 Q337N296-N316 WeakPolarHBondContact CB-OD1 3.37Å; N296-N316 PolarHBondContact ND2-OD1 3.13Å; N296-N316 CarbonylContact O-C 3.18Å; N296-N316 WeakPolarHBondContact O-CA 3.27Å; A304-N316 HydrophobicContact CB-CB 4.2Å; N306-N316 PolarHBondContact ND2-OD1 2.85Å; N316-A324 HydrophobicContact CB-CB 3.82Å; N316-N326 PolarHBondContact ND2-OD1 3.25Å; N316-Q335 PolarHBondContact N-O 2.87Å; N316-N336 WeakPolarHBondContact CB-OD1 3.43Å; N316-N336 PolarHBondContact ND2-OD1 2.86Å; N316-N336 CarbonylContact O-C 3.5Å; N316-N336 WeakPolarHBondContact O-CA 3.34Å; N316-Q337 PolarHBondContact O-N 2.79Å
317Q79.3Confident74.9Confident70 Ų7055 Ų5533%0.32730%0.295SS..EExtended strand (participates in β ladder)trans-125128.1179.7-58.6-173.112.900111.8N296 Q297 A298 Q337N296-Q317 PolarHBondContact O-N 3.4Å; Q297-Q317 CarbonylContact C-O 3.53Å; Q297-Q317 WeakPolarHBondContact CA-O 3.34Å; Q297-Q317 HydrophobicContact CG-CB 4.32Å; A298-Q317 PolarHBondContact N-O 3.47Å; Q317-Q337 CarbonylContact C-O 3.54Å; Q317-Q337 WeakPolarHBondContact CA-O 3.23Å; Q317-Q337 HydrophobicContact CG-CB 4.34Å
318G71.1Confident74.6Confident23 Ų2352.9 Ų52.924%0.23729%0.288CS..EExtended strand (participates in β ladder)trans-133.7136.7-175.200000113.9A298 Q337 A338 K339A298-G318 VanDerWaalsContact O-CA 3.28Å; A298-G318 WeakPolarHBondContact O-CA 3.36Å; G318-Q337 PolarHBondContact N-O 3.46Å; G318-A338 CarbonylContact O-C 3.56Å; G318-A338 VanDerWaalsContact O-CA 3.3Å; G318-A338 WeakPolarHBondContact O-CA 3.32Å; G318-K339 PolarHBondContact O-N 2.9Å
319K70.5Confident74.5Confident123 Ų12356.7 Ų56.754%0.53530%0.299SS..EExtended strand (participates in β ladder)trans-81.1-41.7165.5-68.5-173.2-178.7-171.20112A298 K299 K339 K340A298-K319 PolarHBondContact O-N 2.94Å; A298-K319 VanDerWaalsContact O-N 3.12Å; K299-K319 HydrophobicContact CG-CD 4.39Å; K299-K319 WeakPolarHBondContact O-CB 3.37Å; K319-K339 WeakPolarHBondContact O-CB 3.44Å; K319-K340 PolarHBondContact O-N 3.46Å; K319-K340 VanDerWaalsContact O-N 3.14Å
320K69.2Low74.4Confident120 Ų12056.2 Ų56.252%0.52230%0.297SS..EExtended strand (participates in β ladder)trans-139.8121.4171.7-72.1-174.1179.5-178.20108.1K299 K300 G301 K340K299-K320 PolarHBondContact O-N 2.92Å; K299-K320 VanDerWaalsContact O-N 3.13Å; K300-K320 VanDerWaalsContact CA-O 3.24Å; K300-K320 WeakPolarHBondContact CA-O 3.41Å; K300-K320 HydrophobicContact CG-CB 4.28Å; G301-K320 PolarHBondContact N-O 2.91Å; G301-K320 VanDerWaalsContact N-O 3.11Å; K320-K340 VanDerWaalsContact CA-O 3.22Å; K320-K340 WeakPolarHBondContact CA-O 3.21Å; K320-K340 HydrophobicContact CG-CB 4.37Å
321G63.2Low74.1Confident25 Ų2552 Ų5226%0.25828%0.282SS..EExtended strand (participates in β ladder)trans179.8161.4177.100000114.7G301 K340 G341 E342G301-G321 WeakPolarHBondContact O-CA 2.89Å; G321-K340 PolarHBondContact N-O 2.87Å; G321-G341 WeakPolarHBondContact O-CA 3.41Å; G321-E342 PolarHBondContact O-N 2.92Å
322E65.7Low74.2Confident102 Ų10256 Ų5648%0.47730%0.296SS..EExtended strand (participates in β ladder)trans-120.7145.2-178.8-65.3173.3-164.500110G301 E302 G303 E342G301-E322 PolarHBondContact O-N 3.48Å; E302-E322 WeakPolarHBondContact CA-O 3.38Å; E302-E322 HydrophobicContact CG-CB 4.39Å; G303-E322 PolarHBondContact N-O 2.92Å; E322-E342 WeakPolarHBondContact CA-O 3.39Å; E322-E342 HydrophobicContact CG-CB 4.29Å
323G67.7Low74.3Confident29 Ų2952.7 Ų52.730%0.29929%0.288SS..  trans7650.1164.400000116.1G303 A304 E342 G343G303-G323 WeakPolarHBondContact CA-O 3.35Å; A304-G323 PolarHBondContact N-O 2.87Å; G323-E342 PolarHBondContact N-O 3.37Å; G323-E342 VanDerWaalsContact N-O 3.07Å; G323-G343 CarbonylContact C-O 3.56Å; G323-G343 VanDerWaalsContact CA-O 3.31Å; G323-G343 WeakPolarHBondContact CA-O 3.24Å; G323-G343 PolarHBondContact N-O 2.88Å
324A78.7Confident74.8Confident22 Ų2252.3 Ų52.318%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-82.6120.6170.800000110.4A304 N316 N336 G343 G344 Q345A304-A324 CarbonylContact O-C 3.57Å; A304-A324 WeakPolarHBondContact O-CA 3.23Å; N316-A324 HydrophobicContact CB-CB 3.82Å; A324-N336 HydrophobicContact CB-CB 4.12Å; A324-N336 PolarHBondContact O-ND2 2.83Å; A324-G343 PolarHBondContact N-O 3.49Å; A324-G343 VanDerWaalsContact N-O 3.12Å; A324-G344 CarbonylContact O-C 3.51Å; A324-G344 WeakPolarHBondContact O-CA 3.41Å; A324-Q345 PolarHBondContact O-N 3.24Å
325Q83.2Confident74.9Confident45 Ų4553.5 Ų53.521%0.2128%0.284CS..EExtended strand (participates in β ladder)trans-126.7131.3-177.2-55-178-49.900112.5A304 Q305 N306 Q345A304-Q325 PolarHBondContact O-N 3.5Å; Q305-Q325 CarbonylContact C-O 3.54Å; Q305-Q325 VanDerWaalsContact CA-O 3.27Å; Q305-Q325 WeakPolarHBondContact CA-O 3.24Å; Q305-Q325 HydrophobicContact CG-CB 4.26Å; N306-Q325 PolarHBondContact N-O 2.91Å; Q325-Q345 CarbonylContact C-O 3.55Å; Q325-Q345 VanDerWaalsContact CA-O 3.24Å; Q325-Q345 WeakPolarHBondContact CA-O 3.25Å; Q325-Q345 HydrophobicContact CG-CB 4.15Å
326N84.7Confident74.8Confident5 Ų551.7 Ų51.73%0.02728%0.276CS..EExtended strand (participates in β ladder)trans-119.3126.4168.6-57.8-53.7000109.7N306 A314 N316 A334 N336 Q345 N346 Q347N306-N326 WeakPolarHBondContact CB-OD1 3.29Å; N306-N326 PolarHBondContact ND2-OD1 2.89Å; N306-N326 CarbonylContact O-C 3.44Å; N306-N326 WeakPolarHBondContact O-CA 3.4Å; A314-N326 HydrophobicContact CB-CB 4.15Å; N316-N326 PolarHBondContact ND2-OD1 3.25Å; N326-A334 HydrophobicContact CB-CB 3.94Å; N326-N336 PolarHBondContact ND2-OD1 3.13Å; N326-Q345 PolarHBondContact N-O 3.07Å; N326-N346 WeakPolarHBondContact CB-OD1 3.38Å; N326-N346 PolarHBondContact ND2-OD1 3.11Å; N326-N346 CarbonylContact O-C 3.57Å; N326-N346 WeakPolarHBondContact O-CA 3.21Å; N326-Q347 PolarHBondContact O-N 3.48Å
327Q82.2Confident74.7Confident70 Ų7054.7 Ų54.733%0.32729%0.29SS..EExtended strand (participates in β ladder)trans-124.2128.1177.1-59.2-1738.600111N306 Q307 A308 Q347N306-Q327 PolarHBondContact O-N 3.1Å; Q307-Q327 CarbonylContact C-O 3.5Å; Q307-Q327 WeakPolarHBondContact CA-O 3.38Å; Q307-Q327 HydrophobicContact CG-CB 4.35Å; A308-Q327 PolarHBondContact N-O 3.05Å; Q327-Q347 CarbonylContact C-O 3.46Å; Q327-Q347 WeakPolarHBondContact CA-O 3.38Å; Q327-Q347 HydrophobicContact CG-CB 4.33Å
328S76Confident74.3Confident28 Ų2852.7 Ų52.720%0.19629%0.286CS..EExtended strand (participates in β ladder)trans-134.5144.8175.273.70000113.2A308 Q347 A348 K349A308-S328 WeakPolarHBondContact O-CA 3.46Å; S328-Q347 PolarHBondContact N-O 2.89Å; S328-A348 VanDerWaalsContact O-CA 3.31Å; S328-A348 WeakPolarHBondContact O-CA 3.43Å; S328-K349 PolarHBondContact O-N 3.08Å; S328-K349 VanDerWaalsContact O-N 3.13Å
329K75Confident74.2Confident112 Ų11257.7 Ų57.749%0.48730%0.301SS..EExtended strand (participates in β ladder)trans-80.5-45.5167.8-65.3-174.5-177.8-174.80110.6A308 K309 K349 K350A308-K329 PolarHBondContact O-N 3.32Å; A308-K329 VanDerWaalsContact O-N 3.15Å; K309-K329 HydrophobicContact CG-CD 4.48Å; K309-K329 WeakPolarHBondContact O-CB 3.38Å; K329-K349 HydrophobicContact CG-CD 4.41Å; K329-K349 WeakPolarHBondContact O-CB 3.32Å; K329-K350 PolarHBondContact O-N 2.91Å; K329-K350 VanDerWaalsContact O-N 3.08Å
330K73.2Confident74.1Confident100 Ų10057.8 Ų57.844%0.43530%0.301SS..EExtended strand (participates in β ladder)trans-134.3122.4170.1-170.7-179.9179.5-174.60108.7K309 K310 G311 K350K309-K330 PolarHBondContact O-N 2.86Å; K310-K330 VanDerWaalsContact CA-O 3.24Å; K310-K330 WeakPolarHBondContact CA-O 2.98Å; G311-K330 PolarHBondContact N-O 3.1Å; G311-K330 VanDerWaalsContact N-O 3.11Å; K330-K350 VanDerWaalsContact CA-O 3.25Å; K330-K350 WeakPolarHBondContact CA-O 3.27Å
331G65.6Low73.8Confident12 Ų1252.8 Ų52.812%0.12428%0.284CS..EExtended strand (participates in β ladder)trans-176.3162.1176.100000115G311 K350 G351 E352G311-G331 WeakPolarHBondContact O-CA 3.34Å; G331-K350 PolarHBondContact N-O 3.43Å; G331-K350 VanDerWaalsContact N-O 3.1Å; G331-G351 WeakPolarHBondContact O-CA 3.4Å; G331-E352 PolarHBondContact O-N 3.06Å
332E68.9Low73.8Confident97 Ų9756.5 Ų56.545%0.45330%0.295SS..EExtended strand (participates in β ladder)trans-121.2141.1-178.7-66.3166.8-157.100109.3G311 E312 G313 E352G311-E332 PolarHBondContact O-N 2.9Å; E312-E332 CarbonylContact C-O 3.53Å; E312-E332 WeakPolarHBondContact CA-O 3.37Å; E312-E332 HydrophobicContact CG-CB 4.32Å; G313-E332 PolarHBondContact N-O 3.13Å; E332-E352 WeakPolarHBondContact CA-O 3.45Å; E332-E352 HydrophobicContact CG-CB 4.36Å
333G69.5Low73.7Confident27 Ų2752.8 Ų52.828%0.27828%0.284SS..EExtended strand (participates in β ladder)trans7565.6170.300000115.5G313 A314 E352 G353G313-G333 WeakPolarHBondContact CA-O 3.39Å; A314-G333 PolarHBondContact N-O 3.05Å; G333-E352 PolarHBondContact N-O 2.83Å; G333-G353 CarbonylContact C-O 3.55Å; G333-G353 WeakPolarHBondContact CA-O 3.42Å
334A79.9Confident74Confident18 Ų1852 Ų5215%0.14928%0.275CS..EExtended strand (participates in β ladder)trans-96117.8169.200000110.1A314 N326 N346 G353 A354 Q355A314-A334 CarbonylContact O-C 3.57Å; A314-A334 WeakPolarHBondContact O-CA 3.5Å; N326-A334 HydrophobicContact CB-CB 3.94Å; A334-N346 HydrophobicContact CB-CB 4.08Å; A334-G353 PolarHBondContact N-O 2.96Å; A334-A354 CarbonylContact O-C 3.57Å; A334-A354 WeakPolarHBondContact O-CA 3.36Å; A334-Q355 PolarHBondContact O-N 3.46Å
335Q82.9Confident74Confident46 Ų4653.2 Ų53.222%0.21528%0.278CS..EExtended strand (participates in β ladder)trans-127.8130.3-176.4-58.6-177.3-4000112.5A314 Q315 N316 Q355A314-Q335 PolarHBondContact O-N 3.49Å; Q315-Q335 CarbonylContact C-O 3.56Å; Q315-Q335 VanDerWaalsContact CA-O 3.26Å; Q315-Q335 WeakPolarHBondContact CA-O 3.43Å; Q315-Q335 HydrophobicContact CG-CB 4.25Å; N316-Q335 PolarHBondContact N-O 2.87Å; Q335-Q355 CarbonylContact C-O 3.44Å; Q335-Q355 VanDerWaalsContact CA-O 3.24Å; Q335-Q355 WeakPolarHBondContact CA-O 3.34Å; Q335-Q355 HydrophobicContact CG-CB 4.23Å
336N82.1Confident73.9Confident8 Ų851.2 Ų51.24%0.04327%0.268CS..EExtended strand (participates in β ladder)trans-117127.7167-56.5-52.9000109.6N316 A324 N326 N346 Q355 N356 Q357N316-N336 WeakPolarHBondContact CB-OD1 3.43Å; N316-N336 PolarHBondContact ND2-OD1 2.86Å; N316-N336 CarbonylContact O-C 3.5Å; N316-N336 WeakPolarHBondContact O-CA 3.34Å; A324-N336 HydrophobicContact CB-CB 4.12Å; A324-N336 PolarHBondContact O-ND2 2.83Å; N326-N336 PolarHBondContact ND2-OD1 3.13Å; N336-N346 PolarHBondContact ND2-OD1 2.85Å; N336-Q355 PolarHBondContact N-O 3.07Å; N336-N356 WeakPolarHBondContact CB-OD1 3.34Å; N336-N356 PolarHBondContact ND2-OD1 2.89Å; N336-N356 CarbonylContact O-C 3.57Å; N336-N356 WeakPolarHBondContact O-CA 3.35Å; N336-Q357 PolarHBondContact O-N 3.36Å
337Q79.3Confident73.6Confident66 Ų6654.3 Ų54.331%0.30828%0.282SS..EExtended strand (participates in β ladder)trans-124.6124.7177.9-58.1-173.115.800111N316 Q317 G318 Q357N316-Q337 PolarHBondContact O-N 2.79Å; Q317-Q337 CarbonylContact C-O 3.54Å; Q317-Q337 WeakPolarHBondContact CA-O 3.23Å; Q317-Q337 HydrophobicContact CG-CB 4.34Å; G318-Q337 PolarHBondContact N-O 3.46Å; Q337-Q357 CarbonylContact C-O 3.59Å; Q337-Q357 WeakPolarHBondContact CA-O 3.34Å; Q337-Q357 HydrophobicContact CG-CB 4.28Å
338A72.4Confident73.2Confident29 Ų2952 Ų5224%0.2428%0.275CS..EExtended strand (participates in β ladder)trans-131.2135.8178.400000112.7G318 Q357 A358 K359G318-A338 CarbonylContact O-C 3.56Å; G318-A338 VanDerWaalsContact O-CA 3.3Å; G318-A338 WeakPolarHBondContact O-CA 3.32Å; A338-Q357 PolarHBondContact N-O 3.38Å; A338-A358 CarbonylContact O-C 3.51Å; A338-A358 VanDerWaalsContact O-CA 3.29Å; A338-A358 WeakPolarHBondContact O-CA 3.34Å; A338-K359 PolarHBondContact O-N 2.85Å
339K69Low73Confident127 Ų12755.9 Ų55.955%0.55229%0.289SS*.SBendtrans-80-35172.2-170.4178.8-179.6178.30112.2G318 K319 K359 K360G318-K339 PolarHBondContact O-N 2.9Å; K319-K339 WeakPolarHBondContact O-CB 3.44Å; K339-K359 HydrophobicContact CG-CB 4.46Å; K339-K359 HydrophobicContact CG-CD 4.18Å; K339-K359 WeakPolarHBondContact O-CB 3.39Å; K339-K360 PolarHBondContact O-N 2.97Å
340K68.3Low72.8Confident125 Ų12556.4 Ų56.454%0.54329%0.291SS..SBendtrans-148.6125.5169.5-168.3-174.3-178.8-165.80106.9K319 K320 G321 K360K319-K340 PolarHBondContact O-N 3.46Å; K319-K340 VanDerWaalsContact O-N 3.14Å; K320-K340 VanDerWaalsContact CA-O 3.22Å; K320-K340 WeakPolarHBondContact CA-O 3.21Å; K320-K340 HydrophobicContact CG-CB 4.37Å; G321-K340 PolarHBondContact N-O 2.87Å; K340-K360 WeakPolarHBondContact CA-O 3.24Å
341G62.2Low72.3Confident16 Ų1652.4 Ų52.417%0.16528%0.278CS..  trans167.4157.6-178.300000114G321 K360 G361G321-G341 WeakPolarHBondContact O-CA 3.41Å; G341-K360 PolarHBondContact N-O 3.47Å; G341-K360 VanDerWaalsContact N-O 3.16Å; G341-G361 WeakPolarHBondContact O-CA 3.41Å
342E63Low72.3Confident102 Ų10256.8 Ų56.848%0.47730%0.295SS..SBendtrans-105.9146.5177.8-63.8175.7-168.700110.6G321 E322 G323 E362G321-E342 PolarHBondContact O-N 2.92Å; E322-E342 WeakPolarHBondContact CA-O 3.39Å; E322-E342 HydrophobicContact CG-CB 4.29Å; G323-E342 PolarHBondContact N-O 3.37Å; G323-E342 VanDerWaalsContact N-O 3.07Å; E342-E362 WeakPolarHBondContact CA-O 3.39Å; E342-E362 HydrophobicContact CG-CB 4.33Å
343G64.9Low72.2Confident24 Ų2453.3 Ų53.325%0.24729%0.286CS..  trans77.969.3158.500000116.9G323 A324 E362 G363G323-G343 CarbonylContact C-O 3.56Å; G323-G343 VanDerWaalsContact CA-O 3.31Å; G323-G343 WeakPolarHBondContact CA-O 3.24Å; G323-G343 PolarHBondContact N-O 2.88Å; A324-G343 PolarHBondContact N-O 3.49Å; A324-G343 VanDerWaalsContact N-O 3.12Å; G343-E362 PolarHBondContact N-O 2.95Å; G343-G363 WeakPolarHBondContact CA-O 3.25Å
344G72.5Confident72.5Confident12 Ų1252.9 Ų52.912%0.12428%0.279CS..EExtended strand (participates in β ladder)trans-90.8120.9163.200000110.7A324 N356 A364 Q365A324-G344 CarbonylContact O-C 3.51Å; A324-G344 WeakPolarHBondContact O-CA 3.41Å; G344-N356 PolarHBondContact O-ND2 2.98Å; G344-A364 CarbonylContact O-C 3.55Å; G344-A364 WeakPolarHBondContact O-CA 3.5Å; G344-Q365 PolarHBondContact O-N 2.94Å
345Q79.5Confident72.4Confident49 Ų4954.3 Ų54.323%0.22928%0.283CS..EExtended strand (participates in β ladder)trans-120.2124177.5-57.6-174.4-18.600112.6A324 Q325 N326 Q365A324-Q345 PolarHBondContact O-N 3.24Å; Q325-Q345 CarbonylContact C-O 3.55Å; Q325-Q345 VanDerWaalsContact CA-O 3.24Å; Q325-Q345 WeakPolarHBondContact CA-O 3.25Å; Q325-Q345 HydrophobicContact CG-CB 4.15Å; N326-Q345 PolarHBondContact N-O 3.07Å; Q345-Q365 CarbonylContact C-O 3.57Å; Q345-Q365 WeakPolarHBondContact CA-O 3.28Å; Q345-Q365 HydrophobicContact CG-CB 4.24Å
346N81.2Confident72.1Confident3 Ų352.5 Ų52.52%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-116.6126169.3-56.3-54000110.3N326 A334 N336 A354 N356 Q365 N366 Q367N326-N346 WeakPolarHBondContact CB-OD1 3.38Å; N326-N346 PolarHBondContact ND2-OD1 3.11Å; N326-N346 CarbonylContact O-C 3.57Å; N326-N346 WeakPolarHBondContact O-CA 3.21Å; A334-N346 HydrophobicContact CB-CB 4.08Å; N336-N346 PolarHBondContact ND2-OD1 2.85Å; N346-A354 HydrophobicContact CB-CB 3.92Å; N346-N356 PolarHBondContact ND2-OD1 3.5Å; N346-Q365 PolarHBondContact N-O 2.81Å; N346-N366 VanDerWaalsContact CB-OD1 3.32Å; N346-N366 WeakPolarHBondContact CB-OD1 3.34Å; N346-N366 PolarHBondContact ND2-OD1 3.22Å; N346-N366 CarbonylContact O-C 3.57Å; N346-N366 VanDerWaalsContact O-CA 3.29Å; N346-N366 WeakPolarHBondContact O-CA 3.29Å; N346-Q367 PolarHBondContact O-N 3.49Å
347Q78.4Confident71.8Confident69 Ų6955.2 Ų55.232%0.32229%0.287SS..EExtended strand (participates in β ladder)trans-124.1124.2177.2-59.3-173.514.600111.2N326 Q327 S328 Q367N326-Q347 PolarHBondContact O-N 3.48Å; Q327-Q347 CarbonylContact C-O 3.46Å; Q327-Q347 WeakPolarHBondContact CA-O 3.38Å; Q327-Q347 HydrophobicContact CG-CB 4.33Å; S328-Q347 PolarHBondContact N-O 2.89Å; Q347-Q367 CarbonylContact C-O 3.57Å; Q347-Q367 WeakPolarHBondContact CA-O 3.36Å; Q347-Q367 HydrophobicContact CG-CB 4.28Å
348A74.2Confident71.3Confident21 Ų2153.2 Ų53.217%0.17428%0.282CS..EExtended strand (participates in β ladder)trans-129.5135.7176.800000111.8S328 Q367 A368 K369S328-A348 VanDerWaalsContact O-CA 3.31Å; S328-A348 WeakPolarHBondContact O-CA 3.43Å; A348-Q367 PolarHBondContact N-O 2.9Å; A348-A368 VanDerWaalsContact O-CA 3.31Å; A348-A368 WeakPolarHBondContact O-CA 3.29Å; A348-K369 PolarHBondContact O-N 3.36Å; A348-K369 VanDerWaalsContact O-N 3.07Å
349K71.5Confident71.1Confident111 Ų11157.1 Ų57.148%0.48329%0.293SS..EExtended strand (participates in β ladder)trans-77-39.2168-65-173.9-176.6-173.70111.6S328 K329 K369 K370S328-K349 PolarHBondContact O-N 3.08Å; S328-K349 VanDerWaalsContact O-N 3.13Å; K329-K349 HydrophobicContact CG-CD 4.41Å; K329-K349 WeakPolarHBondContact O-CB 3.32Å; K349-K369 HydrophobicContact CG-CD 4.38Å; K349-K369 WeakPolarHBondContact O-CB 2.89Å; K349-K370 PolarHBondContact O-N 3.47Å
350K70.1Confident70.9Confident123 Ų12356.4 Ų56.454%0.53529%0.29SS..EExtended strand (participates in β ladder)trans-143.2121.2171-172.4179180-1780108.2K329 K330 G331 K370K329-K350 PolarHBondContact O-N 2.91Å; K329-K350 VanDerWaalsContact O-N 3.08Å; K330-K350 VanDerWaalsContact CA-O 3.25Å; K330-K350 WeakPolarHBondContact CA-O 3.27Å; G331-K350 PolarHBondContact N-O 3.43Å; G331-K350 VanDerWaalsContact N-O 3.1Å; K350-K370 VanDerWaalsContact CA-O 3.31Å; K350-K370 WeakPolarHBondContact CA-O 3.45Å; K350-K370 HydrophobicContact CG-CB 4.49Å
351G63.9Low70.6Confident15 Ų1551.2 Ų51.216%0.15527%0.272CS..  trans178.3157.6-178.700000114.4G331 K370 G371G331-G351 WeakPolarHBondContact O-CA 3.4Å; G351-K370 PolarHBondContact N-O 3.2Å; G351-G371 WeakPolarHBondContact O-CA 3.34Å
352E65.8Low70.6Confident104 Ų10455 Ų5549%0.48629%0.285SS..SBendtrans-114.4146.2178.6-69.3165.5-156.500110G331 E332 G333 E372G331-E352 PolarHBondContact O-N 3.06Å; E332-E352 WeakPolarHBondContact CA-O 3.45Å; E332-E352 HydrophobicContact CG-CB 4.36Å; G333-E352 PolarHBondContact N-O 2.83Å; E352-E372 WeakPolarHBondContact CA-O 3.34Å; E352-E372 HydrophobicContact CG-CB 4.39Å
353G66.8Low70.6Confident25 Ų2551.3 Ų51.326%0.25828%0.275SS..  trans76.563.4168.200000115.6G333 A334 E372 G373G333-G353 CarbonylContact C-O 3.55Å; G333-G353 WeakPolarHBondContact CA-O 3.42Å; A334-G353 PolarHBondContact N-O 2.96Å; G353-E372 PolarHBondContact N-O 3.3Å; G353-G373 WeakPolarHBondContact CA-O 3.35Å
354A74.9Confident71Confident17 Ų1751 Ų5114%0.1427%0.27CS..EExtended strand (participates in β ladder)trans-95117.116800000110A334 N346 N366 G373 V374 Q375A334-A354 CarbonylContact O-C 3.57Å; A334-A354 WeakPolarHBondContact O-CA 3.36Å; N346-A354 HydrophobicContact CB-CB 3.92Å; A354-N366 HydrophobicContact CB-CB 4.29Å; A354-G373 PolarHBondContact N-O 3.26Å; A354-V374 HydrophobicContact CB-CG1 4.48Å; A354-V374 WeakPolarHBondContact O-CA 3.25Å; A354-Q375 PolarHBondContact O-N 3.01Å
355Q78.3Confident71.1Confident48 Ų4852.9 Ų52.922%0.22428%0.275CS..EExtended strand (participates in β ladder)trans-127.5131.7-177.2-56.7-175.7-39.600112.8A334 Q335 N336 Q375A334-Q355 PolarHBondContact O-N 3.46Å; Q335-Q355 CarbonylContact C-O 3.44Å; Q335-Q355 VanDerWaalsContact CA-O 3.24Å; Q335-Q355 WeakPolarHBondContact CA-O 3.34Å; Q335-Q355 HydrophobicContact CG-CB 4.23Å; N336-Q355 PolarHBondContact N-O 3.07Å; Q355-Q375 CarbonylContact C-O 3.52Å; Q355-Q375 VanDerWaalsContact CA-O 3.23Å; Q355-Q375 WeakPolarHBondContact CA-O 3.36Å; Q355-Q375 HydrophobicContact CG-CB 4.19Å; Q355-Q375 VanDerWaalsContact NE2-OE1 3.11Å
356N76.9Confident71Confident8 Ų850.6 Ų50.64%0.04327%0.265CS..EExtended strand (participates in β ladder)trans-118128.9167-59.4-50.3000109.6N336 G344 N346 A364 N366 Q375 N376 Q377N336-N356 WeakPolarHBondContact CB-OD1 3.34Å; N336-N356 PolarHBondContact ND2-OD1 2.89Å; N336-N356 CarbonylContact O-C 3.57Å; N336-N356 WeakPolarHBondContact O-CA 3.35Å; G344-N356 PolarHBondContact O-ND2 2.98Å; N346-N356 PolarHBondContact ND2-OD1 3.5Å; N356-A364 HydrophobicContact CB-CB 3.8Å; N356-N366 PolarHBondContact ND2-ND2 3.07Å; N356-N366 PolarHBondContact ND2-OD1 3.08Å; N356-Q375 PolarHBondContact N-O 2.93Å; N356-N376 WeakPolarHBondContact CB-OD1 3.37Å; N356-N376 PolarHBondContact ND2-OD1 3.17Å; N356-N376 VanDerWaalsContact ND2-OD1 3.13Å; N356-N376 CarbonylContact O-C 3.46Å; N356-N376 WeakPolarHBondContact O-CA 2.89Å; N356-Q377 PolarHBondContact O-N 2.92Å
357Q75Confident70.6Confident65 Ų6553.7 Ų53.730%0.30428%0.279SS..EExtended strand (participates in β ladder)trans-123123.4176.8-57.1-171.41400111N336 Q337 A338 Q377N336-Q357 PolarHBondContact O-N 3.36Å; Q337-Q357 CarbonylContact C-O 3.59Å; Q337-Q357 WeakPolarHBondContact CA-O 3.34Å; Q337-Q357 HydrophobicContact CG-CB 4.28Å; A338-Q357 PolarHBondContact N-O 3.38Å; Q357-Q377 VanDerWaalsContact CA-O 3.32Å; Q357-Q377 WeakPolarHBondContact CA-O 3.37Å; Q357-Q377 HydrophobicContact CG-CB 4.26Å
358A69.4Low70.2Confident25 Ų2551.1 Ų51.121%0.20727%0.27CS..EExtended strand (participates in β ladder)trans-128.2134.2177.800000112.4A338 Q377 A378 K379A338-A358 CarbonylContact O-C 3.51Å; A338-A358 VanDerWaalsContact O-CA 3.29Å; A338-A358 WeakPolarHBondContact O-CA 3.34Å; A358-Q377 PolarHBondContact N-O 2.87Å; A358-A378 WeakPolarHBondContact O-CA 3.42Å; A358-A378 WeakPolarHBondContact O-CB 3.32Å; A358-K379 PolarHBondContact O-N 3.14Å; A358-K379 VanDerWaalsContact O-N 3.15Å
359K66.6Low69.8Low110 Ų11055 Ų5548%0.47828%0.283SS..SBendtrans-78.2-33.6171.1-175.8175.9-174.5177.50111.9A338 K339 K379 K380A338-K359 PolarHBondContact O-N 2.85Å; K339-K359 HydrophobicContact CG-CB 4.46Å; K339-K359 HydrophobicContact CG-CD 4.18Å; K339-K359 WeakPolarHBondContact O-CB 3.39Å; K359-K379 HydrophobicContact CG-CB 4.28Å; K359-K379 HydrophobicContact CG-CD 4.16Å; K359-K380 PolarHBondContact O-N 3.37Å
360K65.3Low69.6Low113 Ų11355.6 Ų55.649%0.49129%0.286SS..SBendtrans-150.9128.8169.6-71.9-172.8175.8-169.50107.7K339 K340 G341 K380K339-K360 PolarHBondContact O-N 2.97Å; K340-K360 WeakPolarHBondContact CA-O 3.24Å; G341-K360 PolarHBondContact N-O 3.47Å; G341-K360 VanDerWaalsContact N-O 3.16Å; K360-K380 HydrophobicContact CG-CB 4.25Å
361G61.5Low69.1Low15 Ų1550.7 Ų50.716%0.15527%0.27CS..  trans166.5158.6-178.400000114.4G341 G381 V382G341-G361 WeakPolarHBondContact O-CA 3.41Å; G361-G381 VanDerWaalsContact O-O 3.11Å; G361-V382 WeakPolarHBondContact O-CG2 2.85Å
362E62.1Low69Low96 Ų9654.4 Ų54.445%0.44928%0.283SS..SBendtrans-111.6155.9178.9-68.4170.6-160.800111.3E342 G343E342-E362 WeakPolarHBondContact CA-O 3.39Å; E342-E362 HydrophobicContact CG-CB 4.33Å; G343-E362 PolarHBondContact N-O 2.95Å
363G64.3Low68.9Low24 Ų2451.1 Ų51.125%0.24728%0.277CS..  trans76.244.115900000117.8G343 Q365 E383G343-G363 WeakPolarHBondContact CA-O 3.25Å; G363-Q365 PolarHBondContact O-N 3.32Å; G363-E383 PolarHBondContact N-O 3.06Å; G363-E383 VanDerWaalsContact N-O 3.1Å
364A72.3Confident69Low18 Ų1850.4 Ų50.415%0.14927%0.267CS..  trans-78.3117.317100000111.2G344 N356 N376 A385 Q386G344-A364 CarbonylContact O-C 3.55Å; G344-A364 WeakPolarHBondContact O-CA 3.5Å; N356-A364 HydrophobicContact CB-CB 3.8Å; A364-N376 HydrophobicContact CB-CB 4.31Å; A364-A385 CarbonylContact O-C 3.55Å; A364-A385 VanDerWaalsContact O-CA 3.29Å; A364-A385 WeakPolarHBondContact O-CA 3.35Å; A364-Q386 PolarHBondContact O-N 3.1Å
365Q75.1Confident68.9Low51 Ų5151 Ų5124%0.23827%0.268CS..EExtended strand (participates in β ladder)trans-119.5131.8179.5-58.8-177.8-37.500111.9G344 Q345 N346 G363 Q386G344-Q365 PolarHBondContact O-N 2.94Å; Q345-Q365 CarbonylContact C-O 3.57Å; Q345-Q365 WeakPolarHBondContact CA-O 3.28Å; Q345-Q365 HydrophobicContact CG-CB 4.24Å; N346-Q365 PolarHBondContact N-O 2.81Å; G363-Q365 PolarHBondContact O-N 3.32Å; Q365-Q386 CarbonylContact C-O 3.57Å; Q365-Q386 VanDerWaalsContact CA-O 3.24Å; Q365-Q386 WeakPolarHBondContact CA-O 3.43Å; Q365-Q386 HydrophobicContact CG-CB 4.22Å
366N76.9Confident68.7Low1 Ų149.1 Ų49.11%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-127.2131.8171.9-62-51.7000110N346 A354 N356 V374 N376 Q386 N387 Q388N346-N366 VanDerWaalsContact CB-OD1 3.32Å; N346-N366 WeakPolarHBondContact CB-OD1 3.34Å; N346-N366 PolarHBondContact ND2-OD1 3.22Å; N346-N366 CarbonylContact O-C 3.57Å; N346-N366 VanDerWaalsContact O-CA 3.29Å; N346-N366 WeakPolarHBondContact O-CA 3.29Å; A354-N366 HydrophobicContact CB-CB 4.29Å; N356-N366 PolarHBondContact ND2-ND2 3.07Å; N356-N366 PolarHBondContact ND2-OD1 3.08Å; N366-V374 HydrophobicContact CB-CG1 3.15Å; N366-V374 WeakPolarHBondContact ND2-CG1 3.35Å; N366-N376 PolarHBondContact ND2-OD1 2.85Å; N366-Q386 PolarHBondContact N-O 2.87Å; N366-N387 WeakPolarHBondContact CB-OD1 3.31Å; N366-N387 PolarHBondContact ND2-OD1 3.11Å; N366-N387 VanDerWaalsContact ND2-OD1 3.07Å; N366-N387 CarbonylContact O-C 3.48Å; N366-N387 VanDerWaalsContact O-CA 3.29Å; N366-N387 WeakPolarHBondContact O-CA 3.37Å; N366-Q388 PolarHBondContact O-N 3.07Å
367Q73.9Confident68.5Low68 Ų6851.7 Ų51.732%0.31827%0.27SS..EExtended strand (participates in β ladder)trans-126.9121.6178.4-56.1-17311.100110.6N346 Q347 A348 Q388N346-Q367 PolarHBondContact O-N 3.49Å; Q347-Q367 CarbonylContact C-O 3.57Å; Q347-Q367 WeakPolarHBondContact CA-O 3.36Å; Q347-Q367 HydrophobicContact CG-CB 4.28Å; A348-Q367 PolarHBondContact N-O 2.9Å; Q367-Q388 CarbonylContact C-O 3.56Å; Q367-Q388 WeakPolarHBondContact CA-O 3.18Å; Q367-Q388 HydrophobicContact CG-CB 4.21Å
368A68.6Low68Low16 Ų1649.2 Ų49.213%0.13226%0.261CS..EExtended strand (participates in β ladder)trans-126.7128.4175.600000111A348 Q388 G389 K390A348-A368 VanDerWaalsContact O-CA 3.31Å; A348-A368 WeakPolarHBondContact O-CA 3.29Å; A368-Q388 PolarHBondContact N-O 3.04Å; A368-G389 VanDerWaalsContact O-CA 3.24Å; A368-G389 WeakPolarHBondContact O-CA 3.25Å; A368-K390 PolarHBondContact O-N 2.95Å
369K66.7Low67.8Low103 Ų10353.8 Ų53.845%0.44828%0.277SS..SBendtrans-76.3-36.1172.1-66-178.7-178.1-178.90111.8A348 K349 K390 K391A348-K369 PolarHBondContact O-N 3.36Å; A348-K369 VanDerWaalsContact O-N 3.07Å; K349-K369 HydrophobicContact CG-CD 4.38Å; K349-K369 WeakPolarHBondContact O-CB 2.89Å; K369-K390 HydrophobicContact CB-CD 4.47Å; K369-K390 HydrophobicContact CG-CD 4.31Å; K369-K390 WeakPolarHBondContact O-CB 3.24Å; K369-K391 PolarHBondContact O-N 2.95Å
370K66.4Low67.4Low123 Ų12354.4 Ų54.454%0.53528%0.279SS..SBendtrans-145.5129.2171.9-78.2-174.4177.1-179.60108.4K349 K350 G351 K391K349-K370 PolarHBondContact O-N 3.47Å; K350-K370 VanDerWaalsContact CA-O 3.31Å; K350-K370 WeakPolarHBondContact CA-O 3.45Å; K350-K370 HydrophobicContact CG-CB 4.49Å; G351-K370 PolarHBondContact N-O 3.2Å; K370-K391 WeakPolarHBondContact CA-O 3.44Å; K370-K391 HydrophobicContact CG-CB 4.4Å
371G61.3Low66.8Low20 Ų2051.3 Ų51.321%0.20628%0.279CS..  trans163.7162.9-17800000114G351 K391 G392G351-G371 WeakPolarHBondContact O-CA 3.34Å; G371-K391 PolarHBondContact N-O 2.88Å; G371-G392 WeakPolarHBondContact O-CA 3.12Å
372E61.9Low66.3Low93 Ų9351.4 Ų51.444%0.43528%0.277SS..SBendtrans-115.1153.7175.6-65.8172.2-165.900110.5E352 G353 E393E352-E372 WeakPolarHBondContact CA-O 3.34Å; E352-E372 HydrophobicContact CG-CB 4.39Å; G353-E372 PolarHBondContact N-O 3.3Å; E372-E393 HydrophobicContact CG-CB 4.19Å
373G63.3Low65.9Low34 Ų3451.8 Ų51.835%0.35128%0.278SS..  trans77.262163.600000114.7G353 A354 E393G353-G373 WeakPolarHBondContact CA-O 3.35Å; A354-G373 PolarHBondContact N-O 3.26Å; G373-E393 PolarHBondContact N-O 2.96Å
374V69.1Low65.6Low10 Ų1052.2 Ų52.26%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-97.7119.6171.5-176.10000109.7A354 N366 N387 A394 N395 Q396A354-V374 HydrophobicContact CB-CG1 4.48Å; A354-V374 WeakPolarHBondContact O-CA 3.25Å; N366-V374 HydrophobicContact CB-CG1 3.15Å; N366-V374 WeakPolarHBondContact ND2-CG1 3.35Å; V374-N387 HydrophobicContact CB-CB 4.45Å; V374-N387 HydrophobicContact CG1-CB 3.79Å; V374-N387 VanDerWaalsContact CG1-CG 3.43Å; V374-N387 WeakPolarHBondContact CG1-OD1 3.27Å; V374-A394 PolarHBondContact N-O 2.86Å; V374-N395 WeakPolarHBondContact CB-OD1 3.28Å; V374-N395 WeakPolarHBondContact O-CA 3.44Å; V374-Q396 PolarHBondContact O-N 3.05Å
375Q72.6Confident65.4Low31 Ų3151.7 Ų51.715%0.14528%0.279CS..EExtended strand (participates in β ladder)trans-131.8128.3-173.8-164.6176.621.400113.3A354 Q355 N356 Q377 Q396A354-Q375 PolarHBondContact O-N 3.01Å; Q355-Q375 CarbonylContact C-O 3.52Å; Q355-Q375 VanDerWaalsContact CA-O 3.23Å; Q355-Q375 WeakPolarHBondContact CA-O 3.36Å; Q355-Q375 HydrophobicContact CG-CB 4.19Å; Q355-Q375 VanDerWaalsContact NE2-OE1 3.11Å; N356-Q375 PolarHBondContact N-O 2.93Å; Q375-Q377 VanDerWaalsContact CD-NE2 3.3Å; Q375-Q377 HydrophobicContact CG-CG 4.02Å; Q375-Q396 CarbonylContact C-O 3.54Å; Q375-Q396 VanDerWaalsContact CA-O 3.27Å; Q375-Q396 WeakPolarHBondContact CA-O 3.42Å; Q375-Q396 HydrophobicContact CG-CB 4.11Å
376N73.9Confident65.1Low7 Ų751.6 Ų51.64%0.03728%0.278CS..EExtended strand (participates in β ladder)trans-112.5125.6165.7-57.6-51.7000109.4N356 A364 N366 A385 N387 Q396 N397 Q398N356-N376 WeakPolarHBondContact CB-OD1 3.37Å; N356-N376 PolarHBondContact ND2-OD1 3.17Å; N356-N376 VanDerWaalsContact ND2-OD1 3.13Å; N356-N376 CarbonylContact O-C 3.46Å; N356-N376 WeakPolarHBondContact O-CA 2.89Å; A364-N376 HydrophobicContact CB-CB 4.31Å; N366-N376 PolarHBondContact ND2-OD1 2.85Å; N376-A385 HydrophobicContact CB-CB 4.15Å; N376-N387 PolarHBondContact ND2-ND2 3.34Å; N376-N387 PolarHBondContact ND2-OD1 3.41Å; N376-Q396 PolarHBondContact N-O 2.95Å; N376-N397 WeakPolarHBondContact CB-OD1 3.02Å; N376-N397 PolarHBondContact ND2-OD1 3.28Å; N376-N397 CarbonylContact O-C 3.58Å; N376-N397 WeakPolarHBondContact O-CA 3.31Å; N376-Q398 PolarHBondContact O-N 3.24Å
377Q71.8Confident64.9Low62 Ų6251.6 Ų51.629%0.2928%0.278SS..EExtended strand (participates in β ladder)trans-119.1134.8175.3-59.8-174.212.400111N356 Q357 A358 Q375 Q398N356-Q377 PolarHBondContact O-N 2.92Å; Q357-Q377 VanDerWaalsContact CA-O 3.32Å; Q357-Q377 WeakPolarHBondContact CA-O 3.37Å; Q357-Q377 HydrophobicContact CG-CB 4.26Å; A358-Q377 PolarHBondContact N-O 2.87Å; Q375-Q377 VanDerWaalsContact CD-NE2 3.3Å; Q375-Q377 HydrophobicContact CG-CG 4.02Å; Q377-Q398 CarbonylContact C-O 3.49Å; Q377-Q398 WeakPolarHBondContact CA-O 3.36Å; Q377-Q398 HydrophobicContact CG-CB 4.32Å
378A65.7Low64.7Low14 Ų1451.7 Ų51.712%0.11628%0.279CS..EExtended strand (participates in β ladder)trans-146.3147173.400000116.5A358 V382 Q398 A399 K400A358-A378 WeakPolarHBondContact O-CA 3.42Å; A358-A378 WeakPolarHBondContact O-CB 3.32Å; A378-V382 HydrophobicContact CB-CB 4.3Å; A378-V382 HydrophobicContact CB-CG2 2.99Å; A378-Q398 PolarHBondContact N-O 3.38Å; A378-A399 WeakPolarHBondContact O-CA 2.86Å; A378-K400 PolarHBondContact O-N 3.08Å; A378-K400 VanDerWaalsContact O-N 3.13Å
379K63.9Low64.5Low121 Ų12151.6 Ų51.653%0.52628%0.28SS..SBendtrans-91.2-28.7-175.7-68.1-179.2179.51760113.8A358 K359 K400A358-K379 PolarHBondContact O-N 3.14Å; A358-K379 VanDerWaalsContact O-N 3.15Å; K359-K379 HydrophobicContact CG-CB 4.28Å; K359-K379 HydrophobicContact CG-CD 4.16Å; K379-K400 WeakPolarHBondContact O-CB 3.25Å
380K59.2Low64.3Low123 Ų12351.7 Ų51.754%0.53528%0.28SS..SBendtrans-156.3134.6177.4-73.2-170178.1-173.70110.7K359 K360 K401K359-K380 PolarHBondContact O-N 3.37Å; K360-K380 HydrophobicContact CG-CB 4.25Å; K380-K401 CarbonylContact C-O 3.55Å
381G52.7Low64.1Low47 Ų4751.9 Ų51.949%0.48528%0.281SS..  trans60.272.116100000112.8G361 K401G361-G381 VanDerWaalsContact O-O 3.11Å; G381-K401 PolarHBondContact N-O 2.88Å
382V50.2Low63.8Low17 Ų1751.8 Ų51.810%0.10328%0.28CS..  trans-112.5124168.9-176.30000106.9G361 A378 A385 G402 E403G361-V382 WeakPolarHBondContact O-CG2 2.85Å; A378-V382 HydrophobicContact CB-CB 4.3Å; A378-V382 HydrophobicContact CB-CG2 2.99Å; V382-A385 HydrophobicContact CG1-CB 4.2Å; V382-G402 CarbonylContact O-C 3.49Å; V382-G402 WeakPolarHBondContact O-CA 3.25Å; V382-E403 PolarHBondContact O-N 3.03Å
383E54.4Low63.6Low104 Ų10452.1 Ų52.149%0.48628%0.282SS..  trans-102.9143.3155.4-77.5165.3-149.200107.2G363 E403G363-E383 PolarHBondContact N-O 3.06Å; G363-E383 VanDerWaalsContact N-O 3.1Å; E383-E403 HydrophobicContact CG-CB 4Å; E383-E403 HydrophobicContact CG-CG 4.44Å
384G57.4Low63.4Low34 Ų3452 Ų5235%0.35128%0.277SS..  trans80.730162.300000116.8Q386G384-Q386 PolarHBondContact O-N 3Å; G384-Q386 VanDerWaalsContact O-N 3.17Å
385A68.1Low63.2Low6 Ų652 Ų525%0.0528%0.277CS..EExtended strand (participates in β ladder)trans-68.5111166.900000109.5A364 N376 V382 G405 Q406A364-A385 CarbonylContact O-C 3.55Å; A364-A385 VanDerWaalsContact O-CA 3.29Å; A364-A385 WeakPolarHBondContact O-CA 3.35Å; N376-A385 HydrophobicContact CB-CB 4.15Å; V382-A385 HydrophobicContact CG1-CB 4.2Å; A385-G405 CarbonylContact O-C 3.51Å; A385-G405 VanDerWaalsContact O-CA 3.25Å; A385-G405 WeakPolarHBondContact O-CA 3.29Å; A385-Q406 PolarHBondContact O-N 3.33Å
386Q69.4Low63.1Low49 Ų4953.3 Ų53.323%0.22928%0.283CS..EExtended strand (participates in β ladder)trans-118.9121.3-176.7-59.8-176.7-49.100111.9A364 Q365 N366 G384 Q406A364-Q386 PolarHBondContact O-N 3.1Å; Q365-Q386 CarbonylContact C-O 3.57Å; Q365-Q386 VanDerWaalsContact CA-O 3.24Å; Q365-Q386 WeakPolarHBondContact CA-O 3.43Å; Q365-Q386 HydrophobicContact CG-CB 4.22Å; N366-Q386 PolarHBondContact N-O 2.87Å; G384-Q386 PolarHBondContact O-N 3Å; G384-Q386 VanDerWaalsContact O-N 3.17Å; Q386-Q406 VanDerWaalsContact CA-O 3.25Å; Q386-Q406 WeakPolarHBondContact CA-O 3.47Å; Q386-Q406 HydrophobicContact CG-CB 4.26Å
387N73Confident62.9Low1 Ų153.5 Ų53.51%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-114.6126.5171.2-50.6-55.6000110.8N366 V374 N376 N395 N397 Q406 N407 Q408N366-N387 WeakPolarHBondContact CB-OD1 3.31Å; N366-N387 PolarHBondContact ND2-OD1 3.11Å; N366-N387 VanDerWaalsContact ND2-OD1 3.07Å; N366-N387 CarbonylContact O-C 3.48Å; N366-N387 VanDerWaalsContact O-CA 3.29Å; N366-N387 WeakPolarHBondContact O-CA 3.37Å; V374-N387 HydrophobicContact CB-CB 4.45Å; V374-N387 HydrophobicContact CG1-CB 3.79Å; V374-N387 VanDerWaalsContact CG1-CG 3.43Å; V374-N387 WeakPolarHBondContact CG1-OD1 3.27Å; N376-N387 PolarHBondContact ND2-ND2 3.34Å; N376-N387 PolarHBondContact ND2-OD1 3.41Å; N387-N395 HydrophobicContact CB-CB 4.07Å; N387-N395 WeakPolarHBondContact CB-ND2 3.37Å; N387-N397 PolarHBondContact ND2-OD1 2.78Å; N387-Q406 PolarHBondContact N-O 2.91Å; N387-N407 WeakPolarHBondContact CB-OD1 3.35Å; N387-N407 PolarHBondContact N-OD1 2.91Å; N387-N407 PolarHBondContact ND2-OD1 2.93Å; N387-N407 CarbonylContact O-C 3.54Å; N387-N407 VanDerWaalsContact O-CA 3.29Å; N387-N407 WeakPolarHBondContact O-CA 3.06Å; N387-Q408 PolarHBondContact O-N 3.41Å
388Q69.1Low62.7Low70 Ų7053.5 Ų53.533%0.32728%0.284SS..EExtended strand (participates in β ladder)trans-119.5125.2179-59.1-174.71100111.6N366 Q367 A368 Q408N366-Q388 PolarHBondContact O-N 3.07Å; Q367-Q388 CarbonylContact C-O 3.56Å; Q367-Q388 WeakPolarHBondContact CA-O 3.18Å; Q367-Q388 HydrophobicContact CG-CB 4.21Å; A368-Q388 PolarHBondContact N-O 3.04Å; Q388-Q408 CarbonylContact C-O 3.55Å; Q388-Q408 WeakPolarHBondContact CA-O 3.33Å; Q388-Q408 HydrophobicContact CG-CB 4.36Å
389G63.5Low62.6Low15 Ų1554 Ų5416%0.15529%0.288CS..EExtended strand (participates in β ladder)trans-125142.8-18000000112.5A368 Q408 T409 K410A368-G389 VanDerWaalsContact O-CA 3.24Å; A368-G389 WeakPolarHBondContact O-CA 3.25Å; G389-Q408 PolarHBondContact N-O 3.43Å; G389-T409 VanDerWaalsContact O-CA 3.26Å; G389-T409 WeakPolarHBondContact O-CA 3.08Å; G389-K410 PolarHBondContact O-N 3.09Å
390K63.2Low62.4Low105 Ų10553.9 Ų53.946%0.45729%0.288SS..SBendtrans-91.1-33.5162.6-61.6-174179.4-172.30112.6A368 K369 K410A368-K390 PolarHBondContact O-N 2.95Å; K369-K390 HydrophobicContact CB-CD 4.47Å; K369-K390 HydrophobicContact CG-CD 4.31Å; K369-K390 WeakPolarHBondContact O-CB 3.24Å; K390-K410 HydrophobicContact CB-CD 4.48Å; K390-K410 HydrophobicContact CG-CD 4.26Å; K390-K410 WeakPolarHBondContact O-CB 3.36Å
391K61.7Low62.3Low126 Ų12654.2 Ų54.255%0.54829%0.289SS..SBendtrans-156.4121.4178-168.7-175.6-178.7-168.20107.9K369 K370 G371K369-K391 PolarHBondContact O-N 2.95Å; K370-K391 WeakPolarHBondContact CA-O 3.44Å; K370-K391 HydrophobicContact CG-CB 4.4Å; G371-K391 PolarHBondContact N-O 2.88Å
392G56.3Low62.3Low19 Ų1953 Ų5320%0.19628%0.276CS..  trans170.2158.6-176.800000113.1G371G371-G392 WeakPolarHBondContact O-CA 3.12Å
393E57.8Low62.5Low100 Ų10057 Ų5747%0.46729%0.294SS..SBendtrans-96.8147.8176.7-62.3176.7-177.200110.8E372 G373E372-E393 HydrophobicContact CG-CB 4.19Å; G373-E393 PolarHBondContact N-O 2.96Å
394A57.7Low62.5Low30 Ų3052.9 Ų52.925%0.24828%0.279CS..  trans50.992.216400000117.3V374V374-A394 PolarHBondContact N-O 2.86Å
395N66.6Low62.5Low12 Ų1251.6 Ų51.66%0.06427%0.266CS..EExtended strand (participates in β ladder)trans-92.3116.2160-70.3-13.6000109.1V374 N387 N407 P415 Q416V374-N395 WeakPolarHBondContact CB-OD1 3.28Å; V374-N395 WeakPolarHBondContact O-CA 3.44Å; N387-N395 HydrophobicContact CB-CB 4.07Å; N387-N395 WeakPolarHBondContact CB-ND2 3.37Å; N395-N407 HydrophobicContact CB-CB 4.22Å; N395-P415 HydrophobicContact CB-CB 4.28Å; N395-P415 WeakPolarHBondContact O-CA 3.35Å; N395-P415 VanDerWaalsContact O-CB 3.25Å; N395-P415 WeakPolarHBondContact O-CB 3.31Å; N395-Q416 PolarHBondContact O-N 3.1Å; N395-Q416 VanDerWaalsContact O-N 3.1Å
396Q69.4Low62.2Low57 Ų5755 Ų5527%0.26628%0.281SS..EExtended strand (participates in β ladder)trans-111.8127.9-179.6-66-171.222.500111.8V374 Q375 N376 Q416V374-Q396 PolarHBondContact O-N 3.05Å; Q375-Q396 CarbonylContact C-O 3.54Å; Q375-Q396 VanDerWaalsContact CA-O 3.27Å; Q375-Q396 WeakPolarHBondContact CA-O 3.42Å; Q375-Q396 HydrophobicContact CG-CB 4.11Å; N376-Q396 PolarHBondContact N-O 2.95Å; Q396-Q416 WeakPolarHBondContact CA-O 3.49Å; Q396-Q416 HydrophobicContact CG-CB 4.33Å
397N70.1Confident62Low11 Ų1152.6 Ų52.66%0.05927%0.27CS..EExtended strand (participates in β ladder)trans-116.3120.8167.8-58-48.8000109.6N376 N387 G405 N407 Q416 N417 Q418N376-N397 WeakPolarHBondContact CB-OD1 3.02Å; N376-N397 PolarHBondContact ND2-OD1 3.28Å; N376-N397 CarbonylContact O-C 3.58Å; N376-N397 WeakPolarHBondContact O-CA 3.31Å; N387-N397 PolarHBondContact ND2-OD1 2.78Å; N397-G405 WeakPolarHBondContact ND2-CA 3.26Å; N397-N407 PolarHBondContact ND2-ND2 3.45Å; N397-N407 PolarHBondContact ND2-OD1 3.4Å; N397-Q416 PolarHBondContact N-O 2.93Å; N397-Q416 VanDerWaalsContact N-O 3.14Å; N397-N417 WeakPolarHBondContact CB-OD1 3.42Å; N397-N417 PolarHBondContact ND2-OD1 2.89Å; N397-N417 CarbonylContact O-C 3.51Å; N397-N417 VanDerWaalsContact O-CA 3.27Å; N397-N417 WeakPolarHBondContact O-CA 3.47Å; N397-Q418 PolarHBondContact O-N 2.88Å
398Q68.1Low61.5Low62 Ų6256.1 Ų56.129%0.2929%0.286SS..EExtended strand (participates in β ladder)trans-112.8118.9176.4-61.5-172.612.600110.4N376 Q377 A378 Q418N376-Q398 PolarHBondContact O-N 3.24Å; Q377-Q398 CarbonylContact C-O 3.49Å; Q377-Q398 WeakPolarHBondContact CA-O 3.36Å; Q377-Q398 HydrophobicContact CG-CB 4.32Å; A378-Q398 PolarHBondContact N-O 3.38Å; Q398-Q418 CarbonylContact C-O 3.56Å; Q398-Q418 WeakPolarHBondContact CA-O 3.43Å; Q398-Q418 HydrophobicContact CG-CB 4.29Å
399A62.1Low61Low25 Ų2553 Ų5321%0.20727%0.272CS..EExtended strand (participates in β ladder)trans-132.4125.1179.500000111.6A378 K401 Q418 G419A378-A399 WeakPolarHBondContact O-CA 2.86Å; A399-K401 VanDerWaalsContact C-N 3.31Å; A399-K401 PolarHBondContact O-N 3.21Å; A399-Q418 PolarHBondContact N-O 2.84Å; A399-G419 WeakPolarHBondContact O-CA 3.16Å
400K59.9Low60.9Low118 Ų11858.4 Ų58.451%0.51329%0.291SS..SBendtrans-69.1-30.5174-71.4-176.1-179.7-174.70112.5A378 K379 K420A378-K400 PolarHBondContact O-N 3.08Å; A378-K400 VanDerWaalsContact O-N 3.13Å; K379-K400 WeakPolarHBondContact O-CB 3.25Å; K400-K420 WeakPolarHBondContact O-CB 3.36Å
401K58.4Low60.7Low131 Ų13159.8 Ų59.857%0.5730%0.297SS*.SBendtrans-156.7125.2172.2-73.4-171.4177.2-172.50107.2K380 G381 A399K380-K401 CarbonylContact C-O 3.55Å; G381-K401 PolarHBondContact N-O 2.88Å; A399-K401 VanDerWaalsContact C-N 3.31Å; A399-K401 PolarHBondContact O-N 3.21Å
402G52.9Low60.7Low20 Ų2054.8 Ų54.821%0.20628%0.281CS..EExtended strand (participates in β ladder)trans170165175.500000112.4V382V382-G402 CarbonylContact O-C 3.49Å; V382-G402 WeakPolarHBondContact O-CA 3.25Å
403E54.3Low60.9Low102 Ų10259.1 Ų59.148%0.47730%0.297SS..EExtended strand (participates in β ladder)trans-94.7143.2175.4-65.6-174-178.500110.7V382 E383V382-E403 PolarHBondContact O-N 3.03Å; E383-E403 HydrophobicContact CG-CB 4Å; E383-E403 HydrophobicContact CG-CG 4.44Å
404G53.7Low60.9Low18 Ų1855 Ų5519%0.18628%0.28CS..  trans58.194.4146.800000117.5E423G404-E423 VanDerWaalsContact CA-O 3.26Å; G404-E423 WeakPolarHBondContact CA-O 2.96Å; G404-E423 PolarHBondContact N-O 2.81Å
405G57.7Low61.1Low7 Ų753.7 Ų53.77%0.07227%0.269CS..EExtended strand (participates in β ladder)trans-99108.6159.300000110.2A385 N397 A424A385-G405 CarbonylContact O-C 3.51Å; A385-G405 VanDerWaalsContact O-CA 3.25Å; A385-G405 WeakPolarHBondContact O-CA 3.29Å; N397-G405 WeakPolarHBondContact ND2-CA 3.26Å; G405-A424 PolarHBondContact N-O 2.91Å
406Q61.3Low61.1Low76 Ų7655.4 Ų55.436%0.35528%0.277SS..EExtended strand (participates in β ladder)trans-89.4127.4176.2-66.7179.5-10.800110.3A385 Q386 N387A385-Q406 PolarHBondContact O-N 3.33Å; Q386-Q406 VanDerWaalsContact CA-O 3.25Å; Q386-Q406 WeakPolarHBondContact CA-O 3.47Å; Q386-Q406 HydrophobicContact CG-CB 4.26Å; N387-Q406 PolarHBondContact N-O 2.91Å
407N65.5Low61Low0 Ų053.1 Ų53.10%027%0.267CS..EExtended strand (participates in β ladder)trans-126.6119179.4-65.9-48.5000109.4N387 N395 N397 P415 Q426 K427N387-N407 WeakPolarHBondContact CB-OD1 3.35Å; N387-N407 PolarHBondContact N-OD1 2.91Å; N387-N407 PolarHBondContact ND2-OD1 2.93Å; N387-N407 CarbonylContact O-C 3.54Å; N387-N407 VanDerWaalsContact O-CA 3.29Å; N387-N407 WeakPolarHBondContact O-CA 3.06Å; N395-N407 HydrophobicContact CB-CB 4.22Å; N397-N407 PolarHBondContact ND2-ND2 3.45Å; N397-N407 PolarHBondContact ND2-OD1 3.4Å; N407-P415 HydrophobicContact CB-CB 3.72Å; N407-P415 HydrophobicContact CB-CG 3.83Å; N407-P415 WeakPolarHBondContact ND2-CB 2.85Å; N407-Q426 PolarHBondContact N-O 3.08Å; N407-K427 WeakPolarHBondContact O-CG 3.39Å
408Q62.5Low60.8Low75 Ų7556 Ų5635%0.3528%0.28SS..EExtended strand (participates in β ladder)trans-111.3124.6177.6-63.3-178.113.800109.4N387 Q388 G389N387-Q408 PolarHBondContact O-N 3.41Å; Q388-Q408 CarbonylContact C-O 3.55Å; Q388-Q408 WeakPolarHBondContact CA-O 3.33Å; Q388-Q408 HydrophobicContact CG-CB 4.36Å; G389-Q408 PolarHBondContact N-O 3.43Å
409T58.5Low60.4Low4 Ų453.8 Ų53.83%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-141.3115178.4-39.80000111.5G389 K411 K427 D429G389-T409 VanDerWaalsContact O-CA 3.26Å; G389-T409 WeakPolarHBondContact O-CA 3.08Å; T409-K411 WeakPolarHBondContact CG2-O 3.49Å; T409-K411 PolarHBondContact O-N 3.17Å; T409-K411 VanDerWaalsContact O-N 3.08Å; T409-K427 PolarHBondContact O-NZ 3.3Å; T409-K427 PolarHBondContact OG1-NZ 3Å; T409-D429 PolarHBondContact N-OD1 3.22Å; T409-D429 PolarHBondContact N-OD2 2.79Å; T409-D429 VanDerWaalsContact O-CB 3.28Å; T409-D429 WeakPolarHBondContact O-CB 3.46Å
410K60.7Low60.3Low128 Ų12858.1 Ų58.156%0.55729%0.288SS*.SBendtrans-59.3-29.4-177.2-61.9-171180-165.10114.4G389 K390 D429G389-K410 PolarHBondContact O-N 3.09Å; K390-K410 HydrophobicContact CB-CD 4.48Å; K390-K410 HydrophobicContact CG-CD 4.26Å; K390-K410 WeakPolarHBondContact O-CB 3.36Å; K410-D429 PolarHBondContact N-OD1 3.28Å
411K59.9Low60.2Low135 Ų13558.1 Ų58.159%0.58729%0.288SS*.SBendtrans-159.9127.4176-171.3179.7-179.2-1770110.2T409T409-K411 WeakPolarHBondContact CG2-O 3.49Å; T409-K411 PolarHBondContact O-N 3.17Å; T409-K411 VanDerWaalsContact O-N 3.08Å
412G60.5Low60Low21 Ų2152.5 Ų52.522%0.21627%0.267CS..SBendtrans152.7177.3175.400000112.9
413E60.3Low60.2Low110 Ų11055.6 Ų55.651%0.51428%0.276SS..BIsolated β-bridgetrans-60.7145.3168.2-64.4-169.415700110.6E433E413-E433 CarbonylContact C-O 3.52Å
414G58Low60.1Low12 Ų1252.1 Ų52.112%0.12426%0.264CS..PPolyproline II helixtrans-85.2173-175.300000113.1E433 G434G414-E433 WeakPolarHBondContact CA-O 3.4Å; G414-E433 PolarHBondContact N-O 2.87Å; G414-G434 CarbonylContact C-O 3.47Å; G414-G434 WeakPolarHBondContact CA-O 3.41Å; G414-G434 PolarHBondContact N-O 2.89Å
415P63.6Low60.5Low3 Ų351.3 Ų51.32%0.01926%0.256CS..PPolyproline II helixtrans-75.3149.9-172.432.6-39.3000112.5N395 N407 Q436N395-P415 HydrophobicContact CB-CB 4.28Å; N395-P415 WeakPolarHBondContact O-CA 3.35Å; N395-P415 VanDerWaalsContact O-CB 3.25Å; N395-P415 WeakPolarHBondContact O-CB 3.31Å; N407-P415 HydrophobicContact CB-CB 3.72Å; N407-P415 HydrophobicContact CB-CG 3.83Å; N407-P415 WeakPolarHBondContact ND2-CB 2.85Å; P415-Q436 PolarHBondContact O-N 2.73Å; P415-Q436 VanDerWaalsContact O-N 3.1Å
416Q65.1Low60.7Low48 Ų4855.9 Ų55.922%0.22428%0.276CS..EExtended strand (participates in β ladder)trans-111114167.5-162.5-178.2-100109.1N395 Q396 N397 Q418 Q436N395-Q416 PolarHBondContact O-N 3.1Å; N395-Q416 VanDerWaalsContact O-N 3.1Å; Q396-Q416 WeakPolarHBondContact CA-O 3.49Å; Q396-Q416 HydrophobicContact CG-CB 4.33Å; N397-Q416 PolarHBondContact N-O 2.93Å; N397-Q416 VanDerWaalsContact N-O 3.14Å; Q416-Q418 HydrophobicContact CG-CG 4.34Å; Q416-Q436 WeakPolarHBondContact CA-O 3.35Å; Q416-Q436 HydrophobicContact CG-CB 4.29Å
417N68.2Low60.8Low10 Ų1052.5 Ų52.55%0.05326%0.26CS..EExtended strand (participates in β ladder)trans-98130.9170.9-70.5-8.3000108.8N397 A425 Q436 N437 Q438N397-N417 WeakPolarHBondContact CB-OD1 3.42Å; N397-N417 PolarHBondContact ND2-OD1 2.89Å; N397-N417 CarbonylContact O-C 3.51Å; N397-N417 VanDerWaalsContact O-CA 3.27Å; N397-N417 WeakPolarHBondContact O-CA 3.47Å; N417-A425 VanDerWaalsContact ND2-CB 3.32Å; N417-A425 WeakPolarHBondContact ND2-CB 3.34Å; N417-Q436 PolarHBondContact N-O 2.83Å; N417-N437 WeakPolarHBondContact O-CA 3.33Å; N417-N437 PolarHBondContact O-OD1 3.07Å; N417-Q438 PolarHBondContact O-N 2.96Å
418Q65.7Low60.7Low71 Ų7158.5 Ų58.533%0.33229%0.288SS..EExtended strand (participates in β ladder)trans-126.6130.3175.3-61.6-174.74.400111.2N397 Q398 A399 Q416 Q438N397-Q418 PolarHBondContact O-N 2.88Å; Q398-Q418 CarbonylContact C-O 3.56Å; Q398-Q418 WeakPolarHBondContact CA-O 3.43Å; Q398-Q418 HydrophobicContact CG-CB 4.29Å; A399-Q418 PolarHBondContact N-O 2.84Å; Q416-Q418 HydrophobicContact CG-CG 4.34Å; Q418-Q438 WeakPolarHBondContact CA-O 2.93Å; Q418-Q438 HydrophobicContact CG-CB 4.39Å
419G60.3Low60.7Low16 Ų1656.1 Ų56.117%0.16528%0.277CS..EExtended strand (participates in β ladder)trans-170.7163179.500000117.1A399 Q438 G439 K440A399-G419 WeakPolarHBondContact O-CA 3.16Å; G419-Q438 PolarHBondContact N-O 2.6Å; G419-G439 WeakPolarHBondContact O-CA 3.38Å; G419-K440 PolarHBondContact O-N 2.91Å
420K59.9Low61.1Low115 Ų11562.9 Ų62.950%0.531%0.307SS..EExtended strand (participates in β ladder)trans-74.6-36.6176.3-62.5-177.5175.9-179.50111.7K400 K440 K441K400-K420 WeakPolarHBondContact O-CB 3.36Å; K420-K440 WeakPolarHBondContact O-CB 3.47Å; K420-K441 PolarHBondContact O-N 2.84Å; K420-K441 VanDerWaalsContact O-N 3.11Å
421K58Low61.2Low119 Ų11960.6 Ų60.652%0.51730%0.297SS..EExtended strand (participates in β ladder)trans-137.8115.2169.3-70.1-172.2175.5-165.30105
422G53.8Low61.4Low12 Ų1254.3 Ų54.312%0.12427%0.269CS..EExtended strand (participates in β ladder)trans-141.5119.5-17800000109.1N437 K441 E443G422-N437 PolarHBondContact O-ND2 2.76Å; G422-K441 PolarHBondContact N-O 2.97Å; G422-E443 PolarHBondContact O-N 3.46Å
423E55.9Low61.6Low86 Ų8656.9 Ų56.940%0.40228%0.276SS..EExtended strand (participates in β ladder)trans-94.6152.9173.2-69.1172.7-157.500110.4G404 E443G404-E423 VanDerWaalsContact CA-O 3.26Å; G404-E423 WeakPolarHBondContact CA-O 2.96Å; G404-E423 PolarHBondContact N-O 2.81Å; E423-E443 CarbonylContact C-O 3.6Å; E423-E443 WeakPolarHBondContact CA-O 3.41Å; E423-E443 HydrophobicContact CG-CB 4.27Å
424A53.9Low61.9Low28 Ų2853 Ų5323%0.23127%0.266CS..EExtended strand (participates in β ladder)trans56.585.9159.900000116.2G405 E443 G444G405-A424 PolarHBondContact N-O 2.91Å; A424-E443 PolarHBondContact N-O 2.63Å; A424-G444 CarbonylContact C-O 3.59Å; A424-G444 WeakPolarHBondContact CA-O 3.28Å
425A60.4Low62.5Low1 Ų152.5 Ų52.51%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-92.985.3153.100000108N417 G444 T445 S446N417-A425 VanDerWaalsContact ND2-CB 3.32Å; N417-A425 WeakPolarHBondContact ND2-CB 3.34Å; A425-G444 PolarHBondContact N-O 2.71Å; A425-T445 HydrophobicContact CB-CG2 4.25Å; A425-S446 PolarHBondContact O-N 2.85Å
426Q62Low62.9Low103 Ų10355 Ų5548%0.48127%0.271SS..EExtended strand (participates in β ladder)trans-93.3134.1175.8-71.8-174.85.400111.2N407N407-Q426 PolarHBondContact N-O 3.08Å
427K65.1Low63.2Low5 Ų552.8 Ų52.82%0.02226%0.261CS..EExtended strand (participates in β ladder)trans-128.3137.5174.8-126.9-168-179.9-73.30110.9N407 T409 D429 I432 S446 Q448N407-K427 WeakPolarHBondContact O-CG 3.39Å; T409-K427 PolarHBondContact O-NZ 3.3Å; T409-K427 PolarHBondContact OG1-NZ 3Å; K427-D429 IonicContact NZ-OD2 3.23Å; K427-D429 PolarHBondContact NZ-OD2 3.36Å; K427-I432 HydrophobicContact CB-CD1 4.36Å; K427-I432 HydrophobicContact CD-CD1 4.32Å; K427-I432 HydrophobicContact CD-CG1 4.21Å; K427-I432 HydrophobicContact CD-CG2 3.59Å; K427-S446 PolarHBondContact N-O 3.36Å; K427-Q448 WeakPolarHBondContact O-CB 3.26Å; K427-Q448 PolarHBondContact O-N 2.75Å
428Q63.4Low63.5Low126 Ų12655 Ų5559%0.58927%0.271SS*.EExtended strand (participates in β ladder)trans-136.4102.5176.4-170.2-175.945.200110.7Q448Q428-Q448 CarbonylContact C-O 3.55Å; Q428-Q448 VanDerWaalsContact CA-O 3.29Å; Q428-Q448 WeakPolarHBondContact CA-O 3.24Å; Q428-Q448 HydrophobicContact CG-CB 4.37Å
429D62.3Low63.6Low25 Ų2552.7 Ų52.713%0.13427%0.266CS..EExtended strand (participates in β ladder)trans-154.8177.7-173.6-70-65.7000115.2T409 K410 K427 I432 Q448 G449 K450T409-D429 PolarHBondContact N-OD1 3.22Å; T409-D429 PolarHBondContact N-OD2 2.79Å; T409-D429 VanDerWaalsContact O-CB 3.28Å; T409-D429 WeakPolarHBondContact O-CB 3.46Å; K410-D429 PolarHBondContact N-OD1 3.28Å; K427-D429 IonicContact NZ-OD2 3.23Å; K427-D429 PolarHBondContact NZ-OD2 3.36Å; D429-I432 HydrophobicContact CB-CD1 4.03Å; D429-I432 HydrophobicContact CB-CG1 3.81Å; D429-Q448 PolarHBondContact N-O 3.09Å; D429-G449 WeakPolarHBondContact O-CA 3.3Å; D429-K450 PolarHBondContact O-N 2.95Å
430K66.4Low64.2Low147 Ų14757.3 Ų57.364%0.63928%0.282SS*.EExtended strand (participates in β ladder)trans-77.9-44.3-179.3-72.9-176.7-177.8179.90113.4K450 K451K430-K450 WeakPolarHBondContact O-CB 3.28Å; K430-K450 PolarHBondContact O-N 2.9Å; K430-K451 PolarHBondContact O-N 2.96Å
431K63.3Low64.7Low80 Ų8055.6 Ų55.635%0.34827%0.274SS..EExtended strand (participates in β ladder)trans-139.2126.9177.3-166.2-166.5-172.4-136.90108.6E433 K451K431-E433 IonicContact NZ-OE1 2.84Å; K431-E433 PolarHBondContact NZ-OE1 2.82Å; K431-K451 WeakPolarHBondContact CA-O 3.28Å; K431-K451 HydrophobicContact CG-CB 4.11Å; K431-K451 HydrophobicContact CG-CD 4.37Å
432I63.5Low65.3Low2 Ų249.9 Ų49.91%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-133.2135.9-173.4-57.5161.8000109.4K427 D429 N447 Q448 K451 G452 E453K427-I432 HydrophobicContact CB-CD1 4.36Å; K427-I432 HydrophobicContact CD-CD1 4.32Å; K427-I432 HydrophobicContact CD-CG1 4.21Å; K427-I432 HydrophobicContact CD-CG2 3.59Å; D429-I432 HydrophobicContact CB-CD1 4.03Å; D429-I432 HydrophobicContact CB-CG1 3.81Å; I432-N447 HydrophobicContact CD1-CB 4.39Å; I432-Q448 WeakPolarHBondContact CD1-O 3.26Å; I432-K451 PolarHBondContact N-O 3.23Å; I432-G452 WeakPolarHBondContact O-CA 3.31Å; I432-E453 PolarHBondContact O-N 3.37Å
433E64.2Low65.9Low76 Ų7652.3 Ų52.336%0.35526%0.258SS..EExtended strand (participates in β ladder)trans-126.4117.5170.3-76.6160.4-150.500108.3E413 G414 K431 E453E413-E433 CarbonylContact C-O 3.52Å; G414-E433 WeakPolarHBondContact CA-O 3.4Å; G414-E433 PolarHBondContact N-O 2.87Å; K431-E433 IonicContact NZ-OE1 2.84Å; K431-E433 PolarHBondContact NZ-OE1 2.82Å; E433-E453 HydrophobicContact CG-CB 4.5Å
434G66.9Low66.4Low29 Ų2949.6 Ų49.630%0.29925%0.253SS..EExtended strand (participates in β ladder)trans7295.7166.900000116.9G414 E453 G454G414-G434 CarbonylContact C-O 3.47Å; G414-G434 WeakPolarHBondContact CA-O 3.41Å; G414-G434 PolarHBondContact N-O 2.89Å; G434-E453 PolarHBondContact N-O 3.08Å; G434-G454 CarbonylContact C-O 3.51Å; G434-G454 WeakPolarHBondContact CA-O 3.15Å
435A71.2Confident67.2Low0 Ų048.2 Ų48.20%024%0.242CC..EExtended strand (participates in β ladder)trans-105.6124.1160.800000109.3T445 N447 G454 Q456A435-T445 HydrophobicContact CB-CG2 3.69Å; A435-N447 VanDerWaalsContact CB-OD1 3.22Å; A435-N447 WeakPolarHBondContact CB-OD1 3.28Å; A435-G454 PolarHBondContact N-O 3.41Å; A435-Q456 PolarHBondContact O-N 2.98Å
436Q71.9Confident67.8Low55 Ų5548.5 Ų48.526%0.25724%0.243SC..EExtended strand (participates in β ladder)trans-125.6132.4-177.8-65.7-171.2-2300111.5P415 Q416 N417 Q456P415-Q436 PolarHBondContact O-N 2.73Å; P415-Q436 VanDerWaalsContact O-N 3.1Å; Q416-Q436 WeakPolarHBondContact CA-O 3.35Å; Q416-Q436 HydrophobicContact CG-CB 4.29Å; N417-Q436 PolarHBondContact N-O 2.83Å; Q436-Q456 CarbonylContact C-O 3.51Å; Q436-Q456 WeakPolarHBondContact CA-O 3.32Å; Q436-Q456 HydrophobicContact CG-CB 4.3Å
437N72.1Confident68.3Low2 Ų243.6 Ų43.61%0.01122%0.22CC..EExtended strand (participates in β ladder)trans-121.2116168.8-168-0.6000109.5N417 G422 P442 E443 T445 Q456 N457 Q458N417-N437 WeakPolarHBondContact O-CA 3.33Å; N417-N437 PolarHBondContact O-OD1 3.07Å; G422-N437 PolarHBondContact O-ND2 2.76Å; N437-P442 HydrophobicContact CB-CB 4.05Å; N437-P442 WeakPolarHBondContact O-CB 3.36Å; N437-E443 PolarHBondContact ND2-O 2.75Å; N437-T445 WeakPolarHBondContact CB-OG1 3.06Å; N437-Q456 PolarHBondContact N-O 2.88Å; N437-N457 WeakPolarHBondContact CB-OD1 3.29Å; N437-N457 WeakPolarHBondContact O-CA 3.49Å; N437-Q458 PolarHBondContact O-N 3.23Å
438Q72.7Confident68.6Low57 Ų5746.3 Ų46.327%0.26623%0.233SC..EExtended strand (participates in β ladder)trans-114.9134.4-176.3-57.5-175.31400111N417 Q418 G419 Q458N417-Q438 PolarHBondContact O-N 2.96Å; Q418-Q438 WeakPolarHBondContact CA-O 2.93Å; Q418-Q438 HydrophobicContact CG-CB 4.39Å; G419-Q438 PolarHBondContact N-O 2.6Å; Q438-Q458 WeakPolarHBondContact CA-O 3.37Å; Q438-Q458 HydrophobicContact CG-CB 4.31Å
439G69Low69Low23 Ų2341.6 Ų41.624%0.23722%0.218CC..EExtended strand (participates in β ladder)trans177.7-178-175.800000117.8G419 Q458 G459G419-G439 WeakPolarHBondContact O-CA 3.38Å; G439-Q458 PolarHBondContact N-O 2.78Å; G439-G459 WeakPolarHBondContact O-CA 3.5Å
440K73.3Confident69.6Low112 Ų11245.9 Ų45.949%0.48724%0.236SC..EExtended strand (participates in β ladder)trans-71.2-40.2168.5-65.2-174.1178.3-172.30110.4G419 K420 K460 K461G419-K440 PolarHBondContact O-N 2.91Å; K420-K440 WeakPolarHBondContact O-CB 3.47Å; K440-K460 WeakPolarHBondContact O-CA 3.48Å; K440-K460 WeakPolarHBondContact O-CB 3.29Å; K440-K460 PolarHBondContact O-N 2.94Å; K440-K460 VanDerWaalsContact O-N 3.09Å; K440-K461 PolarHBondContact O-N 2.89Å; K440-K461 VanDerWaalsContact O-N 3.08Å
441K69.8Low69.8Low79 Ų7943.4 Ų43.434%0.34323%0.225SC..EExtended strand (participates in β ladder)trans-136.380.9174-59.8-169.6-176.9-172.60110.7K420 G422 K461K420-K441 PolarHBondContact O-N 2.84Å; K420-K441 VanDerWaalsContact O-N 3.11Å; G422-K441 PolarHBondContact N-O 2.97Å; K441-K461 VanDerWaalsContact CA-O 3.28Å; K441-K461 WeakPolarHBondContact CA-O 3.36Å; K441-K461 HydrophobicContact CG-CB 4.3Å
442P69.7Low69.9Low0 Ų039.7 Ų39.70%021%0.209CC..EExtended strand (participates in β ladder)trans-76.9132.1170.129.5-33.8000110.7N437 N457 K461 G462 E463N437-P442 HydrophobicContact CB-CB 4.05Å; N437-P442 WeakPolarHBondContact O-CB 3.36Å; P442-N457 HydrophobicContact CB-CB 4.2Å; P442-N457 HydrophobicContact CG-CB 4.02Å; P442-K461 VanDerWaalsContact CD-O 3.28Å; P442-K461 WeakPolarHBondContact CD-O 3.44Å; P442-G462 WeakPolarHBondContact O-CA 3.44Å; P442-E463 PolarHBondContact O-N 2.78Å
443E67.1Low70.2Confident62 Ų6243 Ų4329%0.2922%0.224SC..EExtended strand (participates in β ladder)trans-130.8138.5-180-64.2174.7-156.300109.9G422 E423 A424 N437 E463G422-E443 PolarHBondContact O-N 3.46Å; E423-E443 CarbonylContact C-O 3.6Å; E423-E443 WeakPolarHBondContact CA-O 3.41Å; E423-E443 HydrophobicContact CG-CB 4.27Å; A424-E443 PolarHBondContact N-O 2.63Å; N437-E443 PolarHBondContact ND2-O 2.75Å; E443-E463 CarbonylContact C-O 3.55Å; E443-E463 VanDerWaalsContact CA-O 3.31Å; E443-E463 WeakPolarHBondContact CA-O 2.88Å; E443-E463 HydrophobicContact CG-CB 4.34Å
444G66Low70.4Confident29 Ų2940.1 Ų40.130%0.29922%0.216SC..EExtended strand (participates in β ladder)trans71.661.8165.100000116.9A424 A425 E463 G464A424-G444 CarbonylContact C-O 3.59Å; A424-G444 WeakPolarHBondContact CA-O 3.28Å; A425-G444 PolarHBondContact N-O 2.71Å; G444-E463 PolarHBondContact N-O 2.99Å; G444-G464 CarbonylContact C-O 3.57Å; G444-G464 VanDerWaalsContact CA-O 3.29Å; G444-G464 WeakPolarHBondContact CA-O 3.47Å
445T71.8Confident70.7Confident0 Ų038.8 Ų38.80%020%0.202CC..EExtended strand (participates in β ladder)trans-95.5117.9170.1-62.50000109.5A425 A435 N437 A455 N457 G464 A465 Q466A425-T445 HydrophobicContact CB-CG2 4.25Å; A435-T445 HydrophobicContact CB-CG2 3.69Å; N437-T445 WeakPolarHBondContact CB-OG1 3.06Å; T445-A455 HydrophobicContact CG2-CB 4.03Å; T445-N457 WeakPolarHBondContact CB-OD1 3.29Å; T445-N457 PolarHBondContact OG1-OD1 2.77Å; T445-G464 PolarHBondContact N-O 2.79Å; T445-A465 CarbonylContact O-C 3.56Å; T445-A465 WeakPolarHBondContact O-CA 3.25Å; T445-Q466 PolarHBondContact O-N 3.35Å
446S72.6Confident71Confident6 Ų640.4 Ų40.44%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-131.5127.4-176.9-165.90000112.6A425 K427 Q466A425-S446 PolarHBondContact O-N 2.85Å; K427-S446 PolarHBondContact N-O 3.36Å; S446-Q466 CarbonylContact C-O 3.57Å; S446-Q466 VanDerWaalsContact CA-O 3.26Å; S446-Q466 WeakPolarHBondContact CA-O 3.22Å
447N71.3Confident71.2Confident0 Ų037.8 Ų37.80%020%0.197CC..EExtended strand (participates in β ladder)trans-104.2119.2168.7-75.4-25.9000109.5I432 A435 G454 Q466 N467 Q468I432-N447 HydrophobicContact CD1-CB 4.39Å; A435-N447 VanDerWaalsContact CB-OD1 3.22Å; A435-N447 WeakPolarHBondContact CB-OD1 3.28Å; N447-G454 PolarHBondContact ND2-O 2.63Å; N447-G454 VanDerWaalsContact ND2-O 3.17Å; N447-Q466 PolarHBondContact N-O 3.17Å; N447-N467 CarbonylContact O-C 3.55Å; N447-N467 WeakPolarHBondContact O-CA 3.47Å; N447-N467 PolarHBondContact O-OD1 3.03Å; N447-Q468 PolarHBondContact O-N 3.14Å
448Q72.7Confident71.4Confident62 Ų6240.7 Ų40.729%0.2921%0.211SC..EExtended strand (participates in β ladder)trans-117.9131.7174.9-58.3-172-2.800110.7K427 Q428 D429 I432 Q468K427-Q448 WeakPolarHBondContact O-CB 3.26Å; K427-Q448 PolarHBondContact O-N 2.75Å; Q428-Q448 CarbonylContact C-O 3.55Å; Q428-Q448 VanDerWaalsContact CA-O 3.29Å; Q428-Q448 WeakPolarHBondContact CA-O 3.24Å; Q428-Q448 HydrophobicContact CG-CB 4.37Å; D429-Q448 PolarHBondContact N-O 3.09Å; I432-Q448 WeakPolarHBondContact CD1-O 3.26Å; Q448-Q468 WeakPolarHBondContact CA-O 3.5Å; Q448-Q468 HydrophobicContact CG-CB 4.3Å
449G70.5Confident71.5Confident27 Ų2739 Ų3928%0.27821%0.208SC..EExtended strand (participates in β ladder)trans171.5-166.4-178.100000119.4D429 Q468 A469 K470D429-G449 WeakPolarHBondContact O-CA 3.3Å; G449-Q468 PolarHBondContact N-O 3.39Å; G449-Q468 VanDerWaalsContact N-O 3.1Å; G449-A469 WeakPolarHBondContact O-CA 3.34Å; G449-K470 PolarHBondContact O-N 3.43Å
450K74.6Confident72Confident116 Ų11643.4 Ų43.450%0.50422%0.221SC..EExtended strand (participates in β ladder)trans-81.7-40.3171.3-62-173.6179.3-171.50111.6D429 K430 K470 K471D429-K450 PolarHBondContact O-N 2.95Å; K430-K450 WeakPolarHBondContact O-CB 3.28Å; K430-K450 PolarHBondContact O-N 2.9Å; K450-K470 WeakPolarHBondContact O-CB 3.24Å; K450-K470 PolarHBondContact O-N 3.42Å; K450-K471 PolarHBondContact O-N 3.35Å; K450-K471 VanDerWaalsContact O-N 3.15Å
451K70.8Confident72.1Confident95 Ų9542.4 Ų42.441%0.41322%0.216SC..EExtended strand (participates in β ladder)trans-134.2131.9171.7-67.2-172.4177.9-171.20108.9K430 K431 I432 K471K430-K451 PolarHBondContact O-N 2.96Å; K431-K451 WeakPolarHBondContact CA-O 3.28Å; K431-K451 HydrophobicContact CG-CB 4.11Å; K431-K451 HydrophobicContact CG-CD 4.37Å; I432-K451 PolarHBondContact N-O 3.23Å; K451-K471 WeakPolarHBondContact CA-O 2.83Å; K451-K471 HydrophobicContact CG-CB 4.42Å
452G66.8Low72.1Confident1 Ų138.7 Ų38.71%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-142.5131.8174.100000111.2I432 N467 K471 G472 E473I432-G452 WeakPolarHBondContact O-CA 3.31Å; G452-N467 PolarHBondContact O-ND2 2.91Å; G452-K471 PolarHBondContact N-O 3.23Å; G452-G472 CarbonylContact O-C 3.56Å; G452-G472 VanDerWaalsContact O-CA 3.3Å; G452-G472 WeakPolarHBondContact O-CA 3.43Å; G452-E473 PolarHBondContact O-N 2.81Å
453E68.4Low72.4Confident71 Ų7141.4 Ų41.433%0.33221%0.213SC..EExtended strand (participates in β ladder)trans-120.1131175.6-72.5162.9-146.500108.8I432 E433 G434 E473I432-E453 PolarHBondContact O-N 3.37Å; E433-E453 HydrophobicContact CG-CB 4.5Å; G434-E453 PolarHBondContact N-O 3.08Å; E453-E473 CarbonylContact C-O 3.48Å; E453-E473 WeakPolarHBondContact CA-O 3.45Å; E453-E473 HydrophobicContact CG-CB 4.13Å
454G69Low72.5Confident17 Ų1739.6 Ų39.618%0.17521%0.21CC..EExtended strand (participates in β ladder)trans7091.8166.900000116.2G434 A435 N447 E473 G474G434-G454 CarbonylContact C-O 3.51Å; G434-G454 WeakPolarHBondContact CA-O 3.15Å; A435-G454 PolarHBondContact N-O 3.41Å; N447-G454 PolarHBondContact ND2-O 2.63Å; N447-G454 VanDerWaalsContact ND2-O 3.17Å; G454-E473 PolarHBondContact N-O 2.77Å; G454-G474 CarbonylContact C-O 3.55Å; G454-G474 WeakPolarHBondContact CA-O 3.32Å; G454-G474 PolarHBondContact N-O 2.95Å
455A73.8Confident73.1Confident0 Ų038.2 Ų38.20%020%0.196CC..EExtended strand (participates in β ladder)trans-102.7115159.400000108.9T445 G474 A475 Q476T445-A455 HydrophobicContact CG2-CB 4.03Å; A455-G474 PolarHBondContact N-O 2.91Å; A455-A475 CarbonylContact O-C 3.55Å; A455-A475 WeakPolarHBondContact O-CA 3.33Å; A455-Q476 PolarHBondContact O-N 2.98Å
456Q77Confident73.4Confident35 Ų3540.9 Ų40.916%0.16421%0.209CC..EExtended strand (participates in β ladder)trans-128.3129.1-173.8-58.1179-59.900112.6A435 Q436 N437 Q476A435-Q456 PolarHBondContact O-N 2.98Å; Q436-Q456 CarbonylContact C-O 3.51Å; Q436-Q456 WeakPolarHBondContact CA-O 3.32Å; Q436-Q456 HydrophobicContact CG-CB 4.3Å; N437-Q456 PolarHBondContact N-O 2.88Å; Q456-Q476 CarbonylContact C-O 3.57Å; Q456-Q476 VanDerWaalsContact CA-O 3.28Å; Q456-Q476 WeakPolarHBondContact CA-O 3.47Å; Q456-Q476 HydrophobicContact CG-CB 4.25Å
457N76.2Confident73.5Confident0 Ų040.6 Ų40.60%021%0.207CC..EExtended strand (participates in β ladder)trans-108.5125.8165.1-66-42.2000109.7N437 P442 T445 E463 A465 Q476 N477 Q478N437-N457 WeakPolarHBondContact CB-OD1 3.29Å; N437-N457 WeakPolarHBondContact O-CA 3.49Å; P442-N457 HydrophobicContact CB-CB 4.2Å; P442-N457 HydrophobicContact CG-CB 4.02Å; T445-N457 WeakPolarHBondContact CB-OD1 3.29Å; T445-N457 PolarHBondContact OG1-OD1 2.77Å; N457-E463 PolarHBondContact ND2-O 3.46Å; N457-E463 VanDerWaalsContact ND2-O 3.08Å; N457-A465 PolarHBondContact ND2-N 3.11Å; N457-Q476 PolarHBondContact N-O 3.1Å; N457-N477 VanDerWaalsContact CB-OD1 3.25Å; N457-N477 WeakPolarHBondContact CB-OD1 3.23Å; N457-N477 PolarHBondContact ND2-OD1 2.83Å; N457-N477 WeakPolarHBondContact O-CA 3.39Å; N457-Q478 PolarHBondContact O-N 2.85Å
458Q77.2Confident73.8Confident63 Ų6344 Ų4429%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-122.9119.5176.2-62.4-176.37.800110.8N437 Q438 G439 Q478N437-Q458 PolarHBondContact O-N 3.23Å; Q438-Q458 WeakPolarHBondContact CA-O 3.37Å; Q438-Q458 HydrophobicContact CG-CB 4.31Å; G439-Q458 PolarHBondContact N-O 2.78Å; Q458-Q478 WeakPolarHBondContact CA-O 3.35Å; Q458-Q478 HydrophobicContact CG-CB 4.39Å
459G74.7Confident73.9Confident20 Ų2041.3 Ų41.321%0.20621%0.211CC..EExtended strand (participates in β ladder)trans-179.5-172.6-17700000117G439 Q478 G479G439-G459 WeakPolarHBondContact O-CA 3.5Å; G459-Q478 PolarHBondContact N-O 2.98Å; G459-G479 WeakPolarHBondContact O-CA 3.26Å
460K79Confident74.2Confident117 Ų11745.8 Ų45.851%0.50922%0.223SC..EExtended strand (participates in β ladder)trans-71.5-39.6174.7-67.2-173.7178.7-174.50111.2K440 K480 K481K440-K460 WeakPolarHBondContact O-CA 3.48Å; K440-K460 WeakPolarHBondContact O-CB 3.29Å; K440-K460 PolarHBondContact O-N 2.94Å; K440-K460 VanDerWaalsContact O-N 3.09Å; K460-K480 WeakPolarHBondContact O-CA 2.81Å; K460-K480 WeakPolarHBondContact O-CB 2.84Å; K460-K480 PolarHBondContact O-N 2.99Å; K460-K481 PolarHBondContact O-N 3.45Å
461K75.8Confident74.3Confident91 Ų9145.2 Ų45.240%0.39622%0.22SC..EExtended strand (participates in β ladder)trans-132.6102.9172.3-58.3-171.1175-168.50108.7K440 K441 P442 K481K440-K461 PolarHBondContact O-N 2.89Å; K440-K461 VanDerWaalsContact O-N 3.08Å; K441-K461 VanDerWaalsContact CA-O 3.28Å; K441-K461 WeakPolarHBondContact CA-O 3.36Å; K441-K461 HydrophobicContact CG-CB 4.3Å; P442-K461 VanDerWaalsContact CD-O 3.28Å; P442-K461 WeakPolarHBondContact CD-O 3.44Å; K461-K481 CarbonylContact C-O 3.56Å; K461-K481 VanDerWaalsContact CA-O 3.28Å; K461-K481 WeakPolarHBondContact CA-O 2.85Å; K461-K481 HydrophobicContact CB-CB 4.32Å; K461-K481 HydrophobicContact CD-CD 4.09Å; K461-K481 HydrophobicContact CG-CB 4.06Å; K461-K481 HydrophobicContact CG-CD 4.24Å
462G70Confident74.1Confident0 Ų040.8 Ų40.80%020%0.202CC..EExtended strand (participates in β ladder)trans-101131.2176.600000110.7P442 K481 G482 E483P442-G462 WeakPolarHBondContact O-CA 3.44Å; G462-K481 PolarHBondContact N-O 3Å; G462-G482 CarbonylContact O-C 3.51Å; G462-G482 VanDerWaalsContact O-CA 3.3Å; G462-G482 WeakPolarHBondContact O-CA 2.86Å; G462-E483 PolarHBondContact O-N 3.38Å
463E74.5Confident74.4Confident58 Ų5844.9 Ų44.927%0.27122%0.221SC..EExtended strand (participates in β ladder)trans-132.8136.4-179.4-55.6-175.9178.400111.2P442 E443 G444 N457 K481 E483P442-E463 PolarHBondContact O-N 2.78Å; E443-E463 CarbonylContact C-O 3.55Å; E443-E463 VanDerWaalsContact CA-O 3.31Å; E443-E463 WeakPolarHBondContact CA-O 2.88Å; E443-E463 HydrophobicContact CG-CB 4.34Å; G444-E463 PolarHBondContact N-O 2.99Å; N457-E463 PolarHBondContact ND2-O 3.46Å; N457-E463 VanDerWaalsContact ND2-O 3.08Å; E463-K481 IonicContact OE1-NZ 2.71Å; E463-K481 PolarHBondContact OE1-NZ 2.8Å; E463-E483 CarbonylContact C-O 3.56Å; E463-E483 VanDerWaalsContact CA-O 3.24Å; E463-E483 WeakPolarHBondContact CA-O 3.22Å; E463-E483 HydrophobicContact CG-CB 4.21Å
464G70.2Confident74.5Confident23 Ų2342.3 Ų42.324%0.23721%0.213CC..EExtended strand (participates in β ladder)trans7460.9167.100000116.1G444 T445 E483 G484G444-G464 CarbonylContact C-O 3.57Å; G444-G464 VanDerWaalsContact CA-O 3.29Å; G444-G464 WeakPolarHBondContact CA-O 3.47Å; T445-G464 PolarHBondContact N-O 2.79Å; G464-E483 PolarHBondContact N-O 3.1Å; G464-G484 CarbonylContact C-O 3.55Å; G464-G484 WeakPolarHBondContact CA-O 3.46Å; G464-G484 PolarHBondContact N-O 3.2Å
465A78.8Confident75Confident0 Ų041.5 Ų41.50%021%0.205CC..EExtended strand (participates in β ladder)trans-89.5120.4165.300000109.5T445 N457 A475 N477 G484 A485 Q486T445-A465 CarbonylContact O-C 3.56Å; T445-A465 WeakPolarHBondContact O-CA 3.25Å; N457-A465 PolarHBondContact ND2-N 3.11Å; A465-A475 HydrophobicContact CB-CB 4.38Å; A465-N477 WeakPolarHBondContact CB-OD1 3.4Å; A465-G484 PolarHBondContact N-O 2.83Å; A465-A485 CarbonylContact O-C 3.59Å; A465-A485 VanDerWaalsContact O-CA 3.29Å; A465-A485 WeakPolarHBondContact O-CA 3.29Å; A465-Q486 PolarHBondContact O-N 3.48Å
466Q77.8Confident75.3Confident56 Ų5643.4 Ų43.426%0.26221%0.214SC..EExtended strand (participates in β ladder)trans-132.4139.8-175.2-64.2-177.2-47.400112.1T445 S446 N447 Q486T445-Q466 PolarHBondContact O-N 3.35Å; S446-Q466 CarbonylContact C-O 3.57Å; S446-Q466 VanDerWaalsContact CA-O 3.26Å; S446-Q466 WeakPolarHBondContact CA-O 3.22Å; N447-Q466 PolarHBondContact N-O 3.17Å; Q466-Q486 CarbonylContact C-O 3.56Å; Q466-Q486 VanDerWaalsContact CA-O 3.27Å; Q466-Q486 WeakPolarHBondContact CA-O 3.46Å; Q466-Q486 HydrophobicContact CG-CB 4.26Å
467N75.2Confident75.4Confident0 Ų041.8 Ų41.80%021%0.206CC..EExtended strand (participates in β ladder)trans-127.5109.7168.4-162.8-13.5000109N447 G452 E473 Q486 N487 Q488N447-N467 CarbonylContact O-C 3.55Å; N447-N467 WeakPolarHBondContact O-CA 3.47Å; N447-N467 PolarHBondContact O-OD1 3.03Å; G452-N467 PolarHBondContact O-ND2 2.91Å; N467-E473 PolarHBondContact ND2-N 3.31Å; N467-E473 PolarHBondContact ND2-O 2.79Å; N467-Q486 PolarHBondContact N-O 2.8Å; N467-N487 WeakPolarHBondContact CB-OD1 3.2Å; N467-N487 WeakPolarHBondContact O-CA 3.22Å; N467-Q488 PolarHBondContact O-N 3.32Å
468Q77.1Confident75.5Confident73 Ų7344.8 Ų44.834%0.34122%0.22SC..EExtended strand (participates in β ladder)trans-109.583.7176.4-61.4-176.76.700109N447 Q448 G449 Q488N447-Q468 PolarHBondContact O-N 3.14Å; Q448-Q468 WeakPolarHBondContact CA-O 3.5Å; Q448-Q468 HydrophobicContact CG-CB 4.3Å; G449-Q468 PolarHBondContact N-O 3.39Å; G449-Q468 VanDerWaalsContact N-O 3.1Å; Q468-Q488 WeakPolarHBondContact CA-O 3.42Å; Q468-Q488 HydrophobicContact CG-CB 4.27Å
469A75.3Confident75.5Confident5 Ų543 Ų434%0.04122%0.219CC..EExtended strand (participates in β ladder)trans-134.2153.5-176.400000112.6G449 K471 Q488 G489G449-A469 WeakPolarHBondContact O-CA 3.34Å; A469-K471 WeakPolarHBondContact CB-O 3.5Å; A469-K471 PolarHBondContact O-N 3.04Å; A469-Q488 PolarHBondContact N-O 3.18Å; A469-G489 WeakPolarHBondContact O-CA 2.92Å
470K76.8Confident75.8Confident120 Ų12047.8 Ų47.852%0.52223%0.234SC..EExtended strand (participates in β ladder)trans-59.1-37.6174.8-65.3-176-179.9-176.80111.3G449 K450 K490 K491G449-K470 PolarHBondContact O-N 3.43Å; K450-K470 WeakPolarHBondContact O-CB 3.24Å; K450-K470 PolarHBondContact O-N 3.42Å; K470-K490 WeakPolarHBondContact O-CB 3.46Å; K470-K490 PolarHBondContact O-N 3.09Å; K470-K491 PolarHBondContact O-N 3.01Å
471K75.3Confident75.7Confident104 Ų10444.4 Ų44.445%0.45222%0.219SC..EExtended strand (participates in β ladder)trans-124.4111163.3-62.8-174.3178.7-171.70107.6K450 K451 G452 A469 K491K450-K471 PolarHBondContact O-N 3.35Å; K450-K471 VanDerWaalsContact O-N 3.15Å; K451-K471 WeakPolarHBondContact CA-O 2.83Å; K451-K471 HydrophobicContact CG-CB 4.42Å; G452-K471 PolarHBondContact N-O 3.23Å; A469-K471 WeakPolarHBondContact CB-O 3.5Å; A469-K471 PolarHBondContact O-N 3.04Å; K471-K491 WeakPolarHBondContact CA-O 3.3Å; K471-K491 HydrophobicContact CG-CB 4.38Å
472G68.2Low75.5Confident3 Ų340 Ų403%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-118134.9179.600000111G452 K491 G492 E493G452-G472 CarbonylContact O-C 3.56Å; G452-G472 VanDerWaalsContact O-CA 3.3Å; G452-G472 WeakPolarHBondContact O-CA 3.43Å; G472-K491 PolarHBondContact N-O 3.24Å; G472-G492 CarbonylContact O-C 3.58Å; G472-G492 WeakPolarHBondContact O-CA 3.2Å; G472-E493 PolarHBondContact O-N 3.09Å
473E71.8Confident75.8Confident87 Ų8741.9 Ų41.941%0.40721%0.209SC..EExtended strand (participates in β ladder)trans-128.8140171.5-62.1175.2-163.500108.8G452 E453 G454 N467 E493G452-E473 PolarHBondContact O-N 2.81Å; E453-E473 CarbonylContact C-O 3.48Å; E453-E473 WeakPolarHBondContact CA-O 3.45Å; E453-E473 HydrophobicContact CG-CB 4.13Å; G454-E473 PolarHBondContact N-O 2.77Å; N467-E473 PolarHBondContact ND2-N 3.31Å; N467-E473 PolarHBondContact ND2-O 2.79Å; E473-E493 CarbonylContact C-O 3.57Å; E473-E493 VanDerWaalsContact CA-O 3.31Å; E473-E493 WeakPolarHBondContact CA-O 3.29Å; E473-E493 HydrophobicContact CG-CB 4.26Å
474G71.5Confident75.6Confident17 Ų1740.1 Ų40.118%0.17521%0.206CC..EExtended strand (participates in β ladder)trans72.1103.6169.400000115.4G454 A455 E493 G494G454-G474 CarbonylContact C-O 3.55Å; G454-G474 WeakPolarHBondContact CA-O 3.32Å; G454-G474 PolarHBondContact N-O 2.95Å; A455-G474 PolarHBondContact N-O 2.91Å; G474-E493 PolarHBondContact N-O 2.95Å; G474-G494 CarbonylContact C-O 3.58Å; G474-G494 WeakPolarHBondContact CA-O 3.46Å
475A78.7Confident76.1Confident0 Ų039 Ų390%020%0.195CC..EExtended strand (participates in β ladder)trans-126.7116.5158.400000108.3A455 A465 A485 N487 G494 A495 Q496A455-A475 CarbonylContact O-C 3.55Å; A455-A475 WeakPolarHBondContact O-CA 3.33Å; A465-A475 HydrophobicContact CB-CB 4.38Å; A475-A485 HydrophobicContact CB-CB 4.42Å; A475-N487 WeakPolarHBondContact CB-OD1 3.33Å; A475-G494 PolarHBondContact N-O 3.05Å; A475-A495 CarbonylContact O-C 3.56Å; A475-A495 WeakPolarHBondContact O-CA 3.34Å; A475-Q496 PolarHBondContact O-N 2.81Å
476Q79.9Confident76Confident40 Ų4041.1 Ų41.119%0.18721%0.205CC..EExtended strand (participates in β ladder)trans-132.6132.4-171.5-58.8174-55.400112.7A455 Q456 N457 Q496A455-Q476 PolarHBondContact O-N 2.98Å; Q456-Q476 CarbonylContact C-O 3.57Å; Q456-Q476 VanDerWaalsContact CA-O 3.28Å; Q456-Q476 WeakPolarHBondContact CA-O 3.47Å; Q456-Q476 HydrophobicContact CG-CB 4.25Å; N457-Q476 PolarHBondContact N-O 3.1Å; Q476-Q496 CarbonylContact C-O 3.57Å; Q476-Q496 WeakPolarHBondContact CA-O 3.19Å; Q476-Q496 HydrophobicContact CG-CB 4.2Å
477N79.5Confident75.9Confident0 Ų038.4 Ų38.40%019%0.192CC..EExtended strand (participates in β ladder)trans-113.6125.1162.1-54-72.9000109.7N457 A465 E483 G484 Q496 N497 Q498N457-N477 VanDerWaalsContact CB-OD1 3.25Å; N457-N477 WeakPolarHBondContact CB-OD1 3.23Å; N457-N477 PolarHBondContact ND2-OD1 2.83Å; N457-N477 WeakPolarHBondContact O-CA 3.39Å; A465-N477 WeakPolarHBondContact CB-OD1 3.4Å; N477-E483 PolarHBondContact ND2-O 2.91Å; N477-G484 PolarHBondContact ND2-O 3.46Å; N477-G484 VanDerWaalsContact ND2-O 3.1Å; N477-Q496 PolarHBondContact N-O 2.81Å; N477-N497 VanDerWaalsContact CB-OD1 3.23Å; N477-N497 WeakPolarHBondContact CB-OD1 3.33Å; N477-N497 PolarHBondContact N-OD1 3.33Å; N477-N497 PolarHBondContact ND2-OD1 2.83Å; N477-N497 WeakPolarHBondContact O-CA 3.32Å; N477-Q498 PolarHBondContact O-N 3.04Å
478Q78.1Confident75.9Confident64 Ų6441.3 Ų41.330%0.29921%0.206SC..EExtended strand (participates in β ladder)trans-119.5129.2176.1-63.5-178.7800110.4N457 Q458 G459 Q498N457-Q478 PolarHBondContact O-N 2.85Å; Q458-Q478 WeakPolarHBondContact CA-O 3.35Å; Q458-Q478 HydrophobicContact CG-CB 4.39Å; G459-Q478 PolarHBondContact N-O 2.98Å; Q478-Q498 HydrophobicContact CG-CB 4.46Å
479G77.4Confident75.8Confident26 Ų2639.1 Ų39.127%0.26820%0.203SC..EExtended strand (participates in β ladder)trans171.6-165.5-177.900000117.4G459 Q498 G499G459-G479 WeakPolarHBondContact O-CA 3.26Å; G479-Q498 PolarHBondContact N-O 3.04Å; G479-G499 WeakPolarHBondContact O-CA 3.38Å
480K80.3Confident75.9Confident120 Ų12044.6 Ų44.652%0.52223%0.226SC..EExtended strand (participates in β ladder)trans-76-35.9169.3-65.3-174.4178.6-174.40111.1K460 K500 K501K460-K480 WeakPolarHBondContact O-CA 2.81Å; K460-K480 WeakPolarHBondContact O-CB 2.84Å; K460-K480 PolarHBondContact O-N 2.99Å; K480-K500 WeakPolarHBondContact O-CA 3.17Å; K480-K500 WeakPolarHBondContact O-CB 3.33Å; K480-K500 PolarHBondContact O-N 3.49Å; K480-K501 PolarHBondContact O-N 2.91Å; K480-K501 VanDerWaalsContact O-N 3.07Å
481K76.8Confident75.7Confident45 Ų4543.7 Ų43.720%0.19622%0.222CC..EExtended strand (participates in β ladder)trans-128.1125.2172.9-172.8-177-170.7-95.80107.2K460 K461 G462 E463 E483 K501K460-K481 PolarHBondContact O-N 3.45Å; K461-K481 CarbonylContact C-O 3.56Å; K461-K481 VanDerWaalsContact CA-O 3.28Å; K461-K481 WeakPolarHBondContact CA-O 2.85Å; K461-K481 HydrophobicContact CB-CB 4.32Å; K461-K481 HydrophobicContact CD-CD 4.09Å; K461-K481 HydrophobicContact CG-CB 4.06Å; K461-K481 HydrophobicContact CG-CD 4.24Å; G462-K481 PolarHBondContact N-O 3Å; E463-K481 IonicContact OE1-NZ 2.71Å; E463-K481 PolarHBondContact OE1-NZ 2.8Å; K481-E483 WeakPolarHBondContact CE-OE1 3.29Å; K481-E483 HydrophobicContact CG-CG 4.27Å; K481-E483 IonicContact NZ-OE1 2.63Å; K481-E483 PolarHBondContact NZ-OE1 3.4Å; K481-E483 IonicContact NZ-OE2 2.97Å; K481-E483 PolarHBondContact NZ-OE2 2.8Å; K481-K501 CarbonylContact C-O 3.6Å; K481-K501 VanDerWaalsContact CA-O 3.26Å; K481-K501 WeakPolarHBondContact CA-O 3.31Å; K481-K501 HydrophobicContact CG-CB 4.42Å; K481-K501 HydrophobicContact CG-CD 4.29Å
482G72.1Confident75.3Confident0 Ų038.8 Ų38.80%020%0.201CC..EExtended strand (participates in β ladder)trans-126.6122.6174.500000109.7G462 K501 A502 E503G462-G482 CarbonylContact O-C 3.51Å; G462-G482 VanDerWaalsContact O-CA 3.3Å; G462-G482 WeakPolarHBondContact O-CA 2.86Å; G482-K501 PolarHBondContact N-O 3.43Å; G482-A502 CarbonylContact O-C 3.56Å; G482-A502 VanDerWaalsContact O-CA 3.22Å; G482-A502 WeakPolarHBondContact O-CA 3.18Å; G482-E503 PolarHBondContact O-N 3.01Å
483E76.2Confident75.4Confident38 Ų3842.2 Ų42.218%0.17822%0.216CC..EExtended strand (participates in β ladder)trans-131.3138.9-179.3-60-177.2179.400111.1G462 E463 G464 N477 K481 K501 E503G462-E483 PolarHBondContact O-N 3.38Å; E463-E483 CarbonylContact C-O 3.56Å; E463-E483 VanDerWaalsContact CA-O 3.24Å; E463-E483 WeakPolarHBondContact CA-O 3.22Å; E463-E483 HydrophobicContact CG-CB 4.21Å; G464-E483 PolarHBondContact N-O 3.1Å; N477-E483 PolarHBondContact ND2-O 2.91Å; K481-E483 WeakPolarHBondContact CE-OE1 3.29Å; K481-E483 HydrophobicContact CG-CG 4.27Å; K481-E483 IonicContact NZ-OE1 2.63Å; K481-E483 PolarHBondContact NZ-OE1 3.4Å; K481-E483 IonicContact NZ-OE2 2.97Å; K481-E483 PolarHBondContact NZ-OE2 2.8Å; E483-K501 IonicContact OE1-NZ 2.79Å; E483-K501 PolarHBondContact OE1-NZ 3.35Å; E483-E503 CarbonylContact C-O 3.56Å; E483-E503 VanDerWaalsContact CA-O 3.29Å; E483-E503 WeakPolarHBondContact CA-O 3.32Å; E483-E503 HydrophobicContact CG-CB 4.13Å
484G71.7Confident75.3Confident21 Ų2139.1 Ų39.122%0.21621%0.207CC..EExtended strand (participates in β ladder)trans71.176.1171.900000114.1G464 A465 N477 E503 G504G464-G484 CarbonylContact C-O 3.55Å; G464-G484 WeakPolarHBondContact CA-O 3.46Å; G464-G484 PolarHBondContact N-O 3.2Å; A465-G484 PolarHBondContact N-O 2.83Å; N477-G484 PolarHBondContact ND2-O 3.46Å; N477-G484 VanDerWaalsContact ND2-O 3.1Å; G484-E503 PolarHBondContact N-O 3Å; G484-G504 CarbonylContact C-O 3.47Å; G484-G504 WeakPolarHBondContact CA-O 3.18Å; G484-G504 PolarHBondContact N-O 3.47Å
485A79.3Confident75.5Confident0 Ų038.3 Ų38.30%020%0.199CC..EExtended strand (participates in β ladder)trans-107.8117.2165.200000108.7A465 A475 A495 N497 G504 V505 Q506A465-A485 CarbonylContact O-C 3.59Å; A465-A485 VanDerWaalsContact O-CA 3.29Å; A465-A485 WeakPolarHBondContact O-CA 3.29Å; A475-A485 HydrophobicContact CB-CB 4.42Å; A485-A495 HydrophobicContact CB-CB 4.44Å; A485-N497 WeakPolarHBondContact CB-OD1 3.42Å; A485-G504 PolarHBondContact N-O 3.39Å; A485-V505 CarbonylContact O-C 3.5Å; A485-V505 WeakPolarHBondContact O-CA 3.36Å; A485-Q506 PolarHBondContact O-N 2.82Å
486Q77.9Confident75.5Confident44 Ų4440 Ų4021%0.20621%0.207CC..EExtended strand (participates in β ladder)trans-132.3129.6-173.7-54.7-176.9-64.100113.3A465 Q466 N467 Q506A465-Q486 PolarHBondContact O-N 3.48Å; Q466-Q486 CarbonylContact C-O 3.56Å; Q466-Q486 VanDerWaalsContact CA-O 3.27Å; Q466-Q486 WeakPolarHBondContact CA-O 3.46Å; Q466-Q486 HydrophobicContact CG-CB 4.26Å; N467-Q486 PolarHBondContact N-O 2.8Å; Q486-Q506 VanDerWaalsContact CA-O 3.25Å; Q486-Q506 WeakPolarHBondContact CA-O 3.22Å; Q486-Q506 HydrophobicContact CG-CB 4.18Å
487N74.2Confident75.4Confident0 Ų038.1 Ų38.10%020%0.198CC..EExtended strand (participates in β ladder)trans-112.9124.8168-75.6-21.8000109.9N467 A475 E493 G494 Q506 S507 Q508N467-N487 WeakPolarHBondContact CB-OD1 3.2Å; N467-N487 WeakPolarHBondContact O-CA 3.22Å; A475-N487 WeakPolarHBondContact CB-OD1 3.33Å; N487-E493 PolarHBondContact ND2-O 2.88Å; N487-G494 PolarHBondContact ND2-O 3.35Å; N487-Q506 PolarHBondContact N-O 3.24Å; N487-S507 CarbonylContact O-C 3.58Å; N487-S507 WeakPolarHBondContact O-CA 3.19Å; N487-Q508 PolarHBondContact O-N 3.11Å
488Q75.5Confident75.3Confident60 Ų6041.3 Ų41.328%0.2821%0.213SC..EExtended strand (participates in β ladder)trans-127.9134.4178-58.6-175.1300110.5N467 Q468 A469 Q508N467-Q488 PolarHBondContact O-N 3.32Å; Q468-Q488 WeakPolarHBondContact CA-O 3.42Å; Q468-Q488 HydrophobicContact CG-CB 4.27Å; A469-Q488 PolarHBondContact N-O 3.18Å; Q488-Q508 WeakPolarHBondContact CA-O 3.27Å; Q488-Q508 HydrophobicContact CG-CB 4.26Å
489G74.5Confident75.2Confident27 Ų2739.1 Ų39.128%0.27821%0.208SC..EExtended strand (participates in β ladder)trans171.9-168.9-17600000116.7A469 Q508 S509A469-G489 WeakPolarHBondContact O-CA 2.92Å; G489-Q508 PolarHBondContact N-O 3.03Å; G489-Q508 VanDerWaalsContact N-O 3.11Å; G489-S509 WeakPolarHBondContact O-CA 3.47Å
490K77.8Confident75.2Confident121 Ų12143.6 Ų43.653%0.52622%0.22SC..EExtended strand (participates in β ladder)trans-81.8-40.9167.5-65.1-172.3178.1-171.50110.5K470 K510 K511K470-K490 WeakPolarHBondContact O-CB 3.46Å; K470-K490 PolarHBondContact O-N 3.09Å; K490-K510 WeakPolarHBondContact O-CB 3.37Å; K490-K510 PolarHBondContact O-N 3.02Å; K490-K511 PolarHBondContact O-N 2.94Å
491K73.7Confident75.1Confident101 Ų10141.2 Ų41.244%0.43921%0.21SC..EExtended strand (participates in β ladder)trans-125.3129.9170.2-62.8-169.4176.5-164.10108.7K470 K471 G472 K511K470-K491 PolarHBondContact O-N 3.01Å; K471-K491 WeakPolarHBondContact CA-O 3.3Å; K471-K491 HydrophobicContact CG-CB 4.38Å; G472-K491 PolarHBondContact N-O 3.24Å; K491-K511 VanDerWaalsContact CA-O 3.31Å; K491-K511 WeakPolarHBondContact CA-O 3.4Å
492G67Low74.9Confident1 Ų139.1 Ų39.11%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-142.7124.5-176.800000111.8G472 S509 K511 G512 E513G472-G492 CarbonylContact O-C 3.58Å; G472-G492 WeakPolarHBondContact O-CA 3.2Å; G492-S509 WeakPolarHBondContact CA-OG 3.25Å; G492-S509 PolarHBondContact N-OG 3.33Å; G492-K511 PolarHBondContact N-O 3.12Å; G492-G512 CarbonylContact O-C 3.59Å; G492-G512 WeakPolarHBondContact O-CA 3.37Å; G492-E513 PolarHBondContact O-N 2.94Å; G492-E513 VanDerWaalsContact O-N 3.08Å
493E69.5Low75Confident74 Ų7441 Ų4135%0.34621%0.209SC..EExtended strand (participates in β ladder)trans-127.4137.6179.9-60.3177.1-167.600111.7G472 E473 G474 N487 E513G472-E493 PolarHBondContact O-N 3.09Å; E473-E493 CarbonylContact C-O 3.57Å; E473-E493 VanDerWaalsContact CA-O 3.31Å; E473-E493 WeakPolarHBondContact CA-O 3.29Å; E473-E493 HydrophobicContact CG-CB 4.26Å; G474-E493 PolarHBondContact N-O 2.95Å; N487-E493 PolarHBondContact ND2-O 2.88Å; E493-E513 CarbonylContact C-O 3.56Å; E493-E513 VanDerWaalsContact CA-O 3.27Å; E493-E513 WeakPolarHBondContact CA-O 3.4Å; E493-E513 HydrophobicContact CG-CB 4.19Å
494G69.8Low74.6Confident22 Ų2240.7 Ų40.723%0.22722%0.216CC..EExtended strand (participates in β ladder)trans76.966.7162.800000116.8G474 A475 N487 E513 G514G474-G494 CarbonylContact C-O 3.58Å; G474-G494 WeakPolarHBondContact CA-O 3.46Å; A475-G494 PolarHBondContact N-O 3.05Å; N487-G494 PolarHBondContact ND2-O 3.35Å; G494-E513 PolarHBondContact N-O 3.31Å; G494-G514 CarbonylContact C-O 3.55Å; G494-G514 WeakPolarHBondContact CA-O 3.19Å; G494-G514 PolarHBondContact N-O 3.43Å
495A76.2Confident74.6Confident0 Ų039.7 Ų39.70%021%0.206CC..EExtended strand (participates in β ladder)trans-93.6127.816400000109.4A475 A485 V505 G514 T515 Q516A475-A495 CarbonylContact O-C 3.56Å; A475-A495 WeakPolarHBondContact O-CA 3.34Å; A485-A495 HydrophobicContact CB-CB 4.44Å; A495-V505 VanDerWaalsContact C-CG1 3.47Å; A495-V505 HydrophobicContact CB-CG1 3.68Å; A495-V505 WeakPolarHBondContact O-CG1 3.28Å; A495-G514 PolarHBondContact N-O 2.95Å; A495-T515 HydrophobicContact CB-CG2 4.3Å; A495-T515 CarbonylContact O-C 3.56Å; A495-T515 VanDerWaalsContact O-CA 3.31Å; A495-T515 WeakPolarHBondContact O-CA 3.27Å; A495-Q516 PolarHBondContact O-N 2.87Å
496Q77.7Confident74.4Confident37 Ų3741.6 Ų41.617%0.17322%0.215CC..EExtended strand (participates in β ladder)trans-142.4136.2-176.2-49.7177.3-51.900114.3A475 Q476 N477 Q516A475-Q496 PolarHBondContact O-N 2.81Å; Q476-Q496 CarbonylContact C-O 3.57Å; Q476-Q496 WeakPolarHBondContact CA-O 3.19Å; Q476-Q496 HydrophobicContact CG-CB 4.2Å; N477-Q496 PolarHBondContact N-O 2.81Å; Q496-Q516 CarbonylContact C-O 3.53Å; Q496-Q516 WeakPolarHBondContact CA-O 3.44Å; Q496-Q516 HydrophobicContact CB-CB 4.42Å; Q496-Q516 HydrophobicContact CG-CB 3.96Å; Q496-Q516 HydrophobicContact CG-CG 4.48Å
497N78.7Confident74.1Confident0 Ų039.5 Ų39.50%021%0.205CC..EExtended strand (participates in β ladder)trans-118.6130.1165.2-72.5-19.6000109.9N477 A485 A502 E503 V505 Q516 N517 Q518N477-N497 VanDerWaalsContact CB-OD1 3.23Å; N477-N497 WeakPolarHBondContact CB-OD1 3.33Å; N477-N497 PolarHBondContact N-OD1 3.33Å; N477-N497 PolarHBondContact ND2-OD1 2.83Å; N477-N497 WeakPolarHBondContact O-CA 3.32Å; A485-N497 WeakPolarHBondContact CB-OD1 3.42Å; N497-A502 HydrophobicContact CB-CB 3.9Å; N497-E503 PolarHBondContact ND2-O 2.84Å; N497-V505 HydrophobicContact CB-CG2 3.6Å; N497-V505 WeakPolarHBondContact ND2-CG2 3.44Å; N497-Q516 PolarHBondContact N-O 3.02Å; N497-N517 PolarHBondContact O-OD1 3.36Å; N497-Q518 PolarHBondContact O-N 2.92Å
498Q77Confident74.1Confident67 Ų6742.9 Ų42.931%0.31322%0.221SC..EExtended strand (participates in β ladder)trans-126.2123.3176.7-64.2-177.49.800110.2N477 Q478 G479 Q518N477-Q498 PolarHBondContact O-N 3.04Å; Q478-Q498 HydrophobicContact CG-CB 4.46Å; G479-Q498 PolarHBondContact N-O 3.04Å; Q498-Q518 WeakPolarHBondContact CA-O 3.3Å; Q498-Q518 HydrophobicContact CG-CB 4.39Å
499G75.6Confident73.8Confident18 Ų1840.4 Ų40.419%0.18621%0.21CC..EExtended strand (participates in β ladder)trans173.4-174.1176.400000115.9G479 K501 Q518 G519G479-G499 WeakPolarHBondContact O-CA 3.38Å; G499-K501 VanDerWaalsContact C-N 3.34Å; G499-Q518 PolarHBondContact N-O 3.09Å; G499-G519 WeakPolarHBondContact O-CA 3.37Å
500K78.6Confident73.7Confident119 Ų11945.1 Ų45.152%0.51722%0.223SC..EExtended strand (participates in β ladder)trans-67.8-38.4175.5-64.9-174.5179.5-173.80111.3K480 K520 K521K480-K500 WeakPolarHBondContact O-CA 3.17Å; K480-K500 WeakPolarHBondContact O-CB 3.33Å; K480-K500 PolarHBondContact O-N 3.49Å; K500-K520 WeakPolarHBondContact O-CA 3.33Å; K500-K520 WeakPolarHBondContact O-CB 2.85Å; K500-K520 PolarHBondContact O-N 2.98Å; K500-K521 PolarHBondContact O-N 3.28Å; K500-K521 VanDerWaalsContact O-N 3.11Å
501K76.5Confident73.2Confident71 Ų7143.2 Ų43.231%0.30922%0.215SC..EExtended strand (participates in β ladder)trans-122.8127171.3-171.6-176.1-169.4-104.10107.4K480 K481 G482 E483 G499 E503 K521K480-K501 PolarHBondContact O-N 2.91Å; K480-K501 VanDerWaalsContact O-N 3.07Å; K481-K501 CarbonylContact C-O 3.6Å; K481-K501 VanDerWaalsContact CA-O 3.26Å; K481-K501 WeakPolarHBondContact CA-O 3.31Å; K481-K501 HydrophobicContact CG-CB 4.42Å; K481-K501 HydrophobicContact CG-CD 4.29Å; G482-K501 PolarHBondContact N-O 3.43Å; E483-K501 IonicContact OE1-NZ 2.79Å; E483-K501 PolarHBondContact OE1-NZ 3.35Å; G499-K501 VanDerWaalsContact C-N 3.34Å; K501-E503 WeakPolarHBondContact CE-OE1 3.13Å; K501-E503 IonicContact NZ-OE1 2.81Å; K501-E503 PolarHBondContact NZ-OE1 3.25Å; K501-E503 IonicContact NZ-OE2 2.93Å; K501-E503 PolarHBondContact NZ-OE2 3.12Å; K501-K521 WeakPolarHBondContact CA-O 3.26Å
502A72.8Confident72.8Confident0 Ų038.5 Ų38.50%020%0.195CC..EExtended strand (participates in β ladder)trans-141.6117.9-176.300000110.3G482 N497 N517 K521 G522 D523G482-A502 CarbonylContact O-C 3.56Å; G482-A502 VanDerWaalsContact O-CA 3.22Å; G482-A502 WeakPolarHBondContact O-CA 3.18Å; N497-A502 HydrophobicContact CB-CB 3.9Å; A502-N517 WeakPolarHBondContact CB-OD1 3.15Å; A502-N517 PolarHBondContact O-ND2 3.24Å; A502-N517 PolarHBondContact O-OD1 2.9Å; A502-K521 PolarHBondContact N-O 2.87Å; A502-G522 CarbonylContact O-C 3.58Å; A502-G522 WeakPolarHBondContact O-CA 3.31Å; A502-D523 PolarHBondContact O-N 3.28Å
503E74.3Confident72.8Confident39 Ų3941.1 Ų41.118%0.18221%0.207CC..EExtended strand (participates in β ladder)trans-134.9151.5-170.4-61.2174.8179.900112.7G482 E483 G484 N497 K501 D523G482-E503 PolarHBondContact O-N 3.01Å; E483-E503 CarbonylContact C-O 3.56Å; E483-E503 VanDerWaalsContact CA-O 3.29Å; E483-E503 WeakPolarHBondContact CA-O 3.32Å; E483-E503 HydrophobicContact CG-CB 4.13Å; G484-E503 PolarHBondContact N-O 3Å; N497-E503 PolarHBondContact ND2-O 2.84Å; K501-E503 WeakPolarHBondContact CE-OE1 3.13Å; K501-E503 IonicContact NZ-OE1 2.81Å; K501-E503 PolarHBondContact NZ-OE1 3.25Å; K501-E503 IonicContact NZ-OE2 2.93Å; K501-E503 PolarHBondContact NZ-OE2 3.12Å; E503-D523 CarbonylContact C-O 3.55Å; E503-D523 VanDerWaalsContact CA-O 3.29Å; E503-D523 WeakPolarHBondContact CA-O 3.3Å; E503-D523 HydrophobicContact CG-CB 4.17Å
504G68.3Low72.6Confident32 Ų3238.7 Ų38.733%0.3320%0.201SC..EExtended strand (participates in β ladder)trans68.855.6167.800000114.1G484 A485 D523 G524G484-G504 CarbonylContact C-O 3.47Å; G484-G504 WeakPolarHBondContact CA-O 3.18Å; G484-G504 PolarHBondContact N-O 3.47Å; A485-G504 PolarHBondContact N-O 3.39Å; G504-D523 PolarHBondContact N-O 2.94Å; G504-G524 WeakPolarHBondContact CA-O 3.02Å; G504-G524 PolarHBondContact N-O 3.41Å
505V72.7Confident72.6Confident0 Ų037.6 Ų37.60%019%0.191CC..EExtended strand (participates in β ladder)trans-94.7119.3171.5-175.60000108.4A485 A495 N497 T515 N517 G524 N525 P526A485-V505 CarbonylContact O-C 3.5Å; A485-V505 WeakPolarHBondContact O-CA 3.36Å; A495-V505 VanDerWaalsContact C-CG1 3.47Å; A495-V505 HydrophobicContact CB-CG1 3.68Å; A495-V505 WeakPolarHBondContact O-CG1 3.28Å; N497-V505 HydrophobicContact CB-CG2 3.6Å; N497-V505 WeakPolarHBondContact ND2-CG2 3.44Å; V505-T515 HydrophobicContact CG1-CG2 4.4Å; V505-N517 HydrophobicContact CG2-CB 3.98Å; V505-G524 PolarHBondContact N-O 3.29Å; V505-N525 CarbonylContact O-C 3.6Å; V505-N525 VanDerWaalsContact O-CA 3.27Å; V505-N525 WeakPolarHBondContact O-CA 3.35Å; V505-N525 PolarHBondContact O-OD1 3.05Å; V505-P526 VanDerWaalsContact O-CD 3.22Å; V505-P526 WeakPolarHBondContact O-CD 3.47Å
506Q73.6Confident72.4Confident40 Ų4040.6 Ų40.619%0.18721%0.205CC..EExtended strand (participates in β ladder)trans-136140.4-175.3-175.4174.96.400112.4A485 Q486 N487 Q508 P526A485-Q506 PolarHBondContact O-N 2.82Å; Q486-Q506 VanDerWaalsContact CA-O 3.25Å; Q486-Q506 WeakPolarHBondContact CA-O 3.22Å; Q486-Q506 HydrophobicContact CG-CB 4.18Å; N487-Q506 PolarHBondContact N-O 3.24Å; Q506-Q508 HydrophobicContact CG-CG 4.4Å; Q506-Q508 VanDerWaalsContact NE2-CD 3.26Å; Q506-P526 VanDerWaalsContact CA-O 3.3Å; Q506-P526 WeakPolarHBondContact CA-O 3.27Å; Q506-P526 HydrophobicContact CB-CG 4.17Å; Q506-P526 HydrophobicContact CG-CG 3.98Å
507S71.7Confident72.1Confident0 Ų038.9 Ų38.90%020%0.196CC..EExtended strand (participates in β ladder)trans-125.9125.7165.6-1700000109.3N487 P526 N527 Q528N487-S507 CarbonylContact O-C 3.58Å; N487-S507 WeakPolarHBondContact O-CA 3.19Å; S507-P526 PolarHBondContact N-O 3.15Å; S507-N527 PolarHBondContact O-OD1 2.67Å; S507-Q528 PolarHBondContact O-N 3.39Å
508Q73.7Confident71.9Confident72 Ų7241.6 Ų41.634%0.33621%0.209SC..EExtended strand (participates in β ladder)trans-121.593.9176.5-90.8-179-15.100108.9N487 Q488 G489 Q506 Q528N487-Q508 PolarHBondContact O-N 3.11Å; Q488-Q508 WeakPolarHBondContact CA-O 3.27Å; Q488-Q508 HydrophobicContact CG-CB 4.26Å; G489-Q508 PolarHBondContact N-O 3.03Å; G489-Q508 VanDerWaalsContact N-O 3.11Å; Q506-Q508 HydrophobicContact CG-CG 4.4Å; Q506-Q508 VanDerWaalsContact NE2-CD 3.26Å; Q508-Q528 WeakPolarHBondContact CA-O 3.35Å; Q508-Q528 HydrophobicContact CG-CB 3.93Å
509S70.3Confident71.7Confident7 Ų739.5 Ų39.55%0.04921%0.206CC..EExtended strand (participates in β ladder)trans-143.3152.3-175.1-65.60000112.9G489 G492 K511 Q528 G529G489-S509 WeakPolarHBondContact O-CA 3.47Å; G492-S509 WeakPolarHBondContact CA-OG 3.25Å; G492-S509 PolarHBondContact N-OG 3.33Å; S509-K511 VanDerWaalsContact C-N 3.31Å; S509-K511 VanDerWaalsContact CB-O 3.3Å; S509-K511 WeakPolarHBondContact CB-O 3.16Å; S509-K511 PolarHBondContact O-N 3.34Å; S509-Q528 PolarHBondContact N-O 3.18Å; S509-G529 WeakPolarHBondContact O-CA 3.18Å
510K71.7Confident71.6Confident127 Ų12743.1 Ų43.155%0.55222%0.216SC*.EExtended strand (participates in β ladder)trans-63.1-40.9173.4-67.7-172.9179.3-173.60111.4K490 K530 K531K490-K510 WeakPolarHBondContact O-CB 3.37Å; K490-K510 PolarHBondContact O-N 3.02Å; K510-K530 WeakPolarHBondContact O-CB 3.27Å; K510-K530 PolarHBondContact O-N 3.21Å; K510-K531 PolarHBondContact O-N 3.18Å; K510-K531 VanDerWaalsContact O-N 3.14Å
511K68.8Low71.3Confident81 Ų8143.4 Ų43.435%0.35222%0.217SC..EExtended strand (participates in β ladder)trans-125121.9166-168.7-170.8-173.5-119.40107.2K490 K491 G492 S509 E513 K531K490-K511 PolarHBondContact O-N 2.94Å; K491-K511 VanDerWaalsContact CA-O 3.31Å; K491-K511 WeakPolarHBondContact CA-O 3.4Å; G492-K511 PolarHBondContact N-O 3.12Å; S509-K511 VanDerWaalsContact C-N 3.31Å; S509-K511 VanDerWaalsContact CB-O 3.3Å; S509-K511 WeakPolarHBondContact CB-O 3.16Å; S509-K511 PolarHBondContact O-N 3.34Å; K511-E513 IonicContact NZ-OE1 2.67Å; K511-E513 PolarHBondContact NZ-OE1 3.45Å; K511-K531 WeakPolarHBondContact CA-O 3.22Å
512G64.4Low70.8Confident2 Ų240 Ų402%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-145.1148.6176.600000113.6G492 K531 G532 E533G492-G512 CarbonylContact O-C 3.59Å; G492-G512 WeakPolarHBondContact O-CA 3.37Å; G512-K531 PolarHBondContact N-O 3.5Å; G512-G532 VanDerWaalsContact O-CA 3.29Å; G512-G532 WeakPolarHBondContact O-CA 3.47Å; G512-E533 PolarHBondContact O-N 3.28Å
513E66.3Low70.5Confident55 Ų5542.1 Ų42.126%0.25721%0.214SC..EExtended strand (participates in β ladder)trans-131.7142.2-176.3-56.7177.9-165.600109.9G492 E493 G494 K511 E533G492-E513 PolarHBondContact O-N 2.94Å; G492-E513 VanDerWaalsContact O-N 3.08Å; E493-E513 CarbonylContact C-O 3.56Å; E493-E513 VanDerWaalsContact CA-O 3.27Å; E493-E513 WeakPolarHBondContact CA-O 3.4Å; E493-E513 HydrophobicContact CG-CB 4.19Å; G494-E513 PolarHBondContact N-O 3.31Å; K511-E513 IonicContact NZ-OE1 2.67Å; K511-E513 PolarHBondContact NZ-OE1 3.45Å; E513-E533 CarbonylContact C-O 3.52Å; E513-E533 VanDerWaalsContact CA-O 3.29Å; E513-E533 WeakPolarHBondContact CA-O 2.94Å; E513-E533 HydrophobicContact CG-CB 4.22Å
514G65.5Low69.9Low23 Ų2341.4 Ų41.424%0.23722%0.217CC..EExtended strand (participates in β ladder)trans7588.5162.500000115.6G494 A495 E533 G534G494-G514 CarbonylContact C-O 3.55Å; G494-G514 WeakPolarHBondContact CA-O 3.19Å; G494-G514 PolarHBondContact N-O 3.43Å; A495-G514 PolarHBondContact N-O 2.95Å; G514-E533 PolarHBondContact N-O 3.43Å; G514-G534 CarbonylContact C-O 3.55Å; G514-G534 WeakPolarHBondContact CA-O 3.22Å
515T71.2Confident69.8Low0 Ų039.9 Ų39.90%020%0.201CC..EExtended strand (participates in β ladder)trans-113.4120.5161.460.10000110A495 V505 N525 N527 G534 A535 S536A495-T515 HydrophobicContact CB-CG2 4.3Å; A495-T515 CarbonylContact O-C 3.56Å; A495-T515 VanDerWaalsContact O-CA 3.31Å; A495-T515 WeakPolarHBondContact O-CA 3.27Å; V505-T515 HydrophobicContact CG1-CG2 4.4Å; T515-N525 WeakPolarHBondContact CB-OD1 3.21Å; T515-N525 PolarHBondContact O-ND2 3.02Å; T515-N525 PolarHBondContact OG1-OD1 3.24Å; T515-N527 HydrophobicContact CG2-CB 4.36Å; T515-G534 PolarHBondContact N-O 3.14Å; T515-A535 CarbonylContact O-C 3.6Å; T515-A535 WeakPolarHBondContact O-CA 3.39Å; T515-A535 WeakPolarHBondContact OG1-CB 3.32Å; T515-S536 PolarHBondContact O-N 3.4Å
516Q71.4Confident69.5Low63 Ų6341.1 Ų41.129%0.29421%0.209SC..EExtended strand (participates in β ladder)trans-124.1132.1-176.2-57.7-172.4-25.400112.7A495 Q496 N497 S536A495-Q516 PolarHBondContact O-N 2.87Å; Q496-Q516 CarbonylContact C-O 3.53Å; Q496-Q516 WeakPolarHBondContact CA-O 3.44Å; Q496-Q516 HydrophobicContact CB-CB 4.42Å; Q496-Q516 HydrophobicContact CG-CB 3.96Å; Q496-Q516 HydrophobicContact CG-CG 4.48Å; N497-Q516 PolarHBondContact N-O 3.02Å; Q516-S536 WeakPolarHBondContact CA-O 3.42Å
517N71.8Confident69.1Low0 Ų039.3 Ų39.30%020%0.201CC..EExtended strand (participates in β ladder)trans-127122.8174.3-166.713.1000108.9N497 A502 V505 S536 N537 Q538N497-N517 PolarHBondContact O-OD1 3.36Å; A502-N517 WeakPolarHBondContact CB-OD1 3.15Å; A502-N517 PolarHBondContact O-ND2 3.24Å; A502-N517 PolarHBondContact O-OD1 2.9Å; V505-N517 HydrophobicContact CG2-CB 3.98Å; N517-S536 PolarHBondContact N-O 3.06Å; N517-N537 WeakPolarHBondContact CB-OD1 3.38Å; N517-N537 WeakPolarHBondContact O-CA 3.49Å; N517-N537 PolarHBondContact O-OD1 3Å; N517-N537 VanDerWaalsContact O-OD1 3.09Å; N517-Q538 PolarHBondContact O-N 3.37Å
518Q73.3Confident68.9Low58 Ų5842.1 Ų42.127%0.27121%0.214SC..EExtended strand (participates in β ladder)trans-133.6129.5-174.5-59.6-174.1900111.8N497 Q498 G499 Q538 N539N497-Q518 PolarHBondContact O-N 2.92Å; Q498-Q518 WeakPolarHBondContact CA-O 3.3Å; Q498-Q518 HydrophobicContact CG-CB 4.39Å; G499-Q518 PolarHBondContact N-O 3.09Å; Q518-Q538 HydrophobicContact CG-CB 4.28Å; Q518-N539 VanDerWaalsContact C-OD1 3.29Å; Q518-N539 WeakPolarHBondContact CA-OD1 3.12Å
519G72.8Confident68.4Low23 Ų2339.7 Ų39.724%0.23721%0.208CC..EExtended strand (participates in β ladder)trans171.1-163.5-176.700000117.9G499 Q538 N539G499-G519 WeakPolarHBondContact O-CA 3.37Å; G519-Q538 PolarHBondContact N-O 2.82Å; G519-N539 PolarHBondContact N-OD1 3.04Å; G519-N539 VanDerWaalsContact O-CA 3.3Å; G519-N539 WeakPolarHBondContact O-CA 3.5Å
520K74.2Confident68.2Low94 Ų9446 Ų4641%0.40924%0.235SC..EExtended strand (participates in β ladder)trans-88.7-40173.5-64.4-173.1178-173.50111.2K500 R540 K541K500-K520 WeakPolarHBondContact O-CA 3.33Å; K500-K520 WeakPolarHBondContact O-CB 2.85Å; K500-K520 PolarHBondContact O-N 2.98Å; K520-R540 VanDerWaalsContact O-CB 3.28Å; K520-R540 WeakPolarHBondContact O-CB 3.39Å; K520-R540 PolarHBondContact O-N 3.11Å; K520-R540 VanDerWaalsContact O-N 3.12Å; K520-K541 PolarHBondContact O-N 3.21Å
521K72.3Confident67.9Low124 Ų12445.4 Ų45.454%0.53923%0.232SC..EExtended strand (participates in β ladder)trans-131.4145.7173.8-64.9-173.7178.6-171.80108.4K500 K501 A502 K541K500-K521 PolarHBondContact O-N 3.28Å; K500-K521 VanDerWaalsContact O-N 3.11Å; K501-K521 WeakPolarHBondContact CA-O 3.26Å; A502-K521 PolarHBondContact N-O 2.87Å; K521-K541 WeakPolarHBondContact CA-O 3.38Å
522G65.7Low67.6Low0 Ų041.6 Ų41.60%022%0.216CC..  trans-177.5145.3169.600000114.6A502 N539 K541 T542A502-G522 CarbonylContact O-C 3.58Å; A502-G522 WeakPolarHBondContact O-CA 3.31Å; G522-N539 WeakPolarHBondContact CA-ND2 3.23Å; G522-N539 PolarHBondContact N-ND2 2.94Å; G522-N539 PolarHBondContact O-ND2 3.23Å; G522-K541 PolarHBondContact N-O 3.23Å; G522-K541 VanDerWaalsContact N-O 3.12Å; G522-T542 WeakPolarHBondContact O-CA 3.23Å; G522-T542 WeakPolarHBondContact O-CG2 3.4Å; G522-T542 PolarHBondContact O-OG1 2.93Å
523D66.6Low67.6Low45 Ų4545.4 Ų45.424%0.24123%0.233CC..  trans-127.1148-166.2-54.1-33.5000110.6A502 E503 G504 D543A502-D523 PolarHBondContact O-N 3.28Å; E503-D523 CarbonylContact C-O 3.55Å; E503-D523 VanDerWaalsContact CA-O 3.29Å; E503-D523 WeakPolarHBondContact CA-O 3.3Å; E503-D523 HydrophobicContact CG-CB 4.17Å; G504-D523 PolarHBondContact N-O 2.94Å; D523-D543 WeakPolarHBondContact CA-O 3.18Å; D523-D543 HydrophobicContact CB-CB 4.41Å; D523-D543 WeakPolarHBondContact OD1-CB 3.29Å; D523-D543 PolarHBondContact OD1-N 2.67Å
524G62.4Low67.4Low23 Ų2344.2 Ų44.224%0.23724%0.236CC..  trans65.693170.300000114.9G504 V505 D543 T544G504-G524 WeakPolarHBondContact CA-O 3.02Å; G504-G524 PolarHBondContact N-O 3.41Å; V505-G524 PolarHBondContact N-O 3.29Å; G524-D543 PolarHBondContact N-O 3.08Å; G524-T544 WeakPolarHBondContact CA-O 3.27Å; G524-T544 PolarHBondContact N-O 2.92Å
525N65.3Low67.4Low0 Ų043.2 Ų43.20%023%0.225CC..  trans-120.963.3169-167.4-2.9000113.1V505 T515 S536 V545V505-N525 CarbonylContact O-C 3.6Å; V505-N525 VanDerWaalsContact O-CA 3.27Å; V505-N525 WeakPolarHBondContact O-CA 3.35Å; V505-N525 PolarHBondContact O-OD1 3.05Å; T515-N525 WeakPolarHBondContact CB-OD1 3.21Å; T515-N525 PolarHBondContact O-ND2 3.02Å; T515-N525 PolarHBondContact OG1-OD1 3.24Å; N525-S536 PolarHBondContact ND2-O 2.84Å; N525-S536 VanDerWaalsContact ND2-O 3.09Å; N525-V545 HydrophobicContact CB-CG1 4.43Å; N525-V545 HydrophobicContact CB-CG2 4.49Å
526P65.9Low67.2Low27 Ų2744.1 Ų44.118%0.17523%0.232CC..  trans-80.3126.6-178.429-34.1000114.5V505 Q506 S507 A546V505-P526 VanDerWaalsContact O-CD 3.22Å; V505-P526 WeakPolarHBondContact O-CD 3.47Å; Q506-P526 VanDerWaalsContact CA-O 3.3Å; Q506-P526 WeakPolarHBondContact CA-O 3.27Å; Q506-P526 HydrophobicContact CB-CG 4.17Å; Q506-P526 HydrophobicContact CG-CG 3.98Å; S507-P526 PolarHBondContact N-O 3.15Å; P526-A546 WeakPolarHBondContact CA-O 3.39Å; P526-A546 VanDerWaalsContact CB-O 3.23Å; P526-A546 WeakPolarHBondContact CB-O 3.3Å
527N65.4Low66.9Low1 Ų141.1 Ų41.11%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-107.7119.5164.9-1677.3000109.7S507 T515 N547 Q548S507-N527 PolarHBondContact O-OD1 2.67Å; T515-N527 HydrophobicContact CG2-CB 4.36Å; N527-N547 WeakPolarHBondContact CA-OD1 3.24Å; N527-N547 VanDerWaalsContact CB-OD1 3.24Å; N527-N547 WeakPolarHBondContact CB-OD1 3.47Å; N527-N547 PolarHBondContact N-OD1 3.08Å; N527-Q548 PolarHBondContact O-N 2.99Å; N527-Q548 VanDerWaalsContact O-N 3.16Å
528Q67.1Low67Low60 Ų6045.1 Ų45.128%0.2824%0.236SC..EExtended strand (participates in β ladder)trans-121127.6-177.6-68.6-177.9-1.300110.8S507 Q508 S509 Q548S507-Q528 PolarHBondContact O-N 3.39Å; Q508-Q528 WeakPolarHBondContact CA-O 3.35Å; Q508-Q528 HydrophobicContact CG-CB 3.93Å; S509-Q528 PolarHBondContact N-O 3.18Å; Q528-Q548 WeakPolarHBondContact CA-O 3.44Å; Q528-Q548 HydrophobicContact CG-CB 4.38Å
529G65Low66.8Low21 Ų2142.7 Ų42.722%0.21623%0.225CC..EExtended strand (participates in β ladder)trans177.8173.2-177.400000115.7S509 Q548 G549 T550S509-G529 WeakPolarHBondContact O-CA 3.18Å; G529-Q548 PolarHBondContact N-O 2.86Å; G529-Q548 VanDerWaalsContact N-O 3.16Å; G529-G549 WeakPolarHBondContact O-CA 3.43Å; G529-T550 PolarHBondContact O-N 3.07Å
530K66.1Low66.6Low140 Ų14047.8 Ų47.861%0.60924%0.237SC*.EExtended strand (participates in β ladder)trans-71.6-40.3172.4-68.9-168.9176.9-167.50110.9K510 T550 K551K510-K530 WeakPolarHBondContact O-CB 3.27Å; K510-K530 PolarHBondContact O-N 3.21Å; K530-T550 VanDerWaalsContact O-CB 3.28Å; K530-T550 WeakPolarHBondContact O-CB 3.18Å; K530-T550 PolarHBondContact O-N 3.34Å; K530-K551 PolarHBondContact O-N 3.19Å
531K64.4Low66.2Low113 Ų11348.9 Ų48.949%0.49124%0.242SC..EExtended strand (participates in β ladder)trans-130.9118.6172.5-64.4-174.1179.6-173.20108.8K510 K511 G512 K551K510-K531 PolarHBondContact O-N 3.18Å; K510-K531 VanDerWaalsContact O-N 3.14Å; K511-K531 WeakPolarHBondContact CA-O 3.22Å; G512-K531 PolarHBondContact N-O 3.5Å; K531-K551 WeakPolarHBondContact CA-O 3.3Å
532G63.1Low65.9Low2 Ų243 Ų432%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-125.8137.7176.800000111.2G512 K551 Q552 E553G512-G532 VanDerWaalsContact O-CA 3.29Å; G512-G532 WeakPolarHBondContact O-CA 3.47Å; G532-K551 PolarHBondContact N-O 3.39Å; G532-Q552 WeakPolarHBondContact O-CA 3.31Å; G532-Q552 PolarHBondContact O-OE1 2.94Å; G532-E553 PolarHBondContact O-N 3.04Å; G532-E553 VanDerWaalsContact O-N 3.12Å
533E63.2Low65.7Low81 Ų8146.4 Ų46.438%0.37924%0.235SC..EExtended strand (participates in β ladder)trans-128.7141.2173.7-63.4171.5-156.400110.3G512 E513 G514 E553G512-E533 PolarHBondContact O-N 3.28Å; E513-E533 CarbonylContact C-O 3.52Å; E513-E533 VanDerWaalsContact CA-O 3.29Å; E513-E533 WeakPolarHBondContact CA-O 2.94Å; E513-E533 HydrophobicContact CG-CB 4.22Å; G514-E533 PolarHBondContact N-O 3.43Å; E533-E553 CarbonylContact C-O 3.59Å; E533-E553 WeakPolarHBondContact CA-O 3.5Å; E533-E553 HydrophobicContact CG-CB 4.34Å
534G62.5Low65.3Low30 Ų3047.7 Ų47.731%0.30924%0.244SC..EExtended strand (participates in β ladder)trans77.661.3159.500000117.6G514 T515 E553 G554G514-G534 CarbonylContact C-O 3.55Å; G514-G534 WeakPolarHBondContact CA-O 3.22Å; T515-G534 PolarHBondContact N-O 3.14Å; G534-E553 PolarHBondContact N-O 3.07Å; G534-G554 WeakPolarHBondContact CA-O 3.38Å
535A65.2Low65.1Low2 Ų246.6 Ų46.62%0.01723%0.233CC..EExtended strand (participates in β ladder)trans-90.6118.5164.500000109.8T515 N547 G554 V555 S556T515-A535 CarbonylContact O-C 3.6Å; T515-A535 WeakPolarHBondContact O-CA 3.39Å; T515-A535 WeakPolarHBondContact OG1-CB 3.32Å; A535-N547 WeakPolarHBondContact CB-ND2 3.31Å; A535-G554 PolarHBondContact N-O 3.23Å; A535-V555 HydrophobicContact CB-CG1 4.39Å; A535-V555 CarbonylContact O-C 3.54Å; A535-V555 WeakPolarHBondContact O-CA 3.34Å; A535-S556 PolarHBondContact O-N 2.94Å
536S68.1Low64.9Low19 Ų1947.8 Ų47.813%0.13324%0.243CC..EExtended strand (participates in β ladder)trans-121.2134.6178.1-170.80000112.7T515 Q516 N517 N525 S556T515-S536 PolarHBondContact O-N 3.4Å; Q516-S536 WeakPolarHBondContact CA-O 3.42Å; N517-S536 PolarHBondContact N-O 3.06Å; N525-S536 PolarHBondContact ND2-O 2.84Å; N525-S536 VanDerWaalsContact ND2-O 3.09Å; S536-S556 VanDerWaalsContact CA-O 3.26Å; S536-S556 WeakPolarHBondContact CA-O 3.48Å; S536-S556 PolarHBondContact OG-O 2.96Å
537N65.6Low64.7Low0 Ų046.6 Ų46.60%024%0.235CC..EExtended strand (participates in β ladder)trans-129.3112.7174.8-144.2-14.6000110N517 N539 T542 V545 S556 N557 Q558N517-N537 WeakPolarHBondContact CB-OD1 3.38Å; N517-N537 WeakPolarHBondContact O-CA 3.49Å; N517-N537 PolarHBondContact O-OD1 3Å; N517-N537 VanDerWaalsContact O-OD1 3.09Å; N537-N539 VanDerWaalsContact OD1-CG 3.29Å; N537-N539 PolarHBondContact OD1-ND2 2.86Å; N537-T542 WeakPolarHBondContact ND2-CG2 3.35Å; N537-V545 HydrophobicContact CB-CG2 4.29Å; N537-V545 WeakPolarHBondContact ND2-CG2 3.29Å; N537-S556 PolarHBondContact N-O 3.36Å; N537-N557 WeakPolarHBondContact CB-OD1 3.45Å; N537-N557 WeakPolarHBondContact O-CA 3.35Å; N537-Q558 PolarHBondContact O-N 3.29Å
538Q72.1Confident64.5Low85 Ų8551 Ų5140%0.39726%0.255SS..EExtended strand (participates in β ladder)trans-114.174178.7-67-174.3-1.600109.9N517 Q518 G519N517-Q538 PolarHBondContact O-N 3.37Å; Q518-Q538 HydrophobicContact CG-CB 4.28Å; G519-Q538 PolarHBondContact N-O 2.82Å
539N69.3Low64.3Low6 Ų649 Ų493%0.03225%0.251CS..EExtended strand (participates in β ladder)trans-120.1161.8-178.8-62.7-16.6000111.9Q518 G519 G522 N537 K541 T542 V559Q518-N539 VanDerWaalsContact C-OD1 3.29Å; Q518-N539 WeakPolarHBondContact CA-OD1 3.12Å; G519-N539 PolarHBondContact N-OD1 3.04Å; G519-N539 VanDerWaalsContact O-CA 3.3Å; G519-N539 WeakPolarHBondContact O-CA 3.5Å; G522-N539 WeakPolarHBondContact CA-ND2 3.23Å; G522-N539 PolarHBondContact N-ND2 2.94Å; G522-N539 PolarHBondContact O-ND2 3.23Å; N537-N539 VanDerWaalsContact OD1-CG 3.29Å; N537-N539 PolarHBondContact OD1-ND2 2.86Å; N539-K541 WeakPolarHBondContact CB-O 3.06Å; N539-T542 WeakPolarHBondContact CB-OG1 3.39Å; N539-T542 PolarHBondContact ND2-OG1 3.03Å; N539-V559 HydrophobicContact CB-CG1 4.24Å; N539-V559 VanDerWaalsContact O-CA 3.27Å; N539-V559 WeakPolarHBondContact O-CA 3.5Å; N539-V559 WeakPolarHBondContact O-CG1 3.33Å
540R68.4Low64.2Low131 Ų13150.9 Ų50.949%0.49426%0.259SS..EExtended strand (participates in β ladder)trans-77-34.8170.6-57.8176.6-175.2170.5-2.5111.7K520 K560 K561K520-R540 VanDerWaalsContact O-CB 3.28Å; K520-R540 WeakPolarHBondContact O-CB 3.39Å; K520-R540 PolarHBondContact O-N 3.11Å; K520-R540 VanDerWaalsContact O-N 3.12Å; R540-K560 WeakPolarHBondContact O-CB 3.26Å; R540-K560 PolarHBondContact O-N 3.3Å; R540-K560 VanDerWaalsContact O-N 3.14Å; R540-K561 PolarHBondContact O-N 3.22Å
541K67.6Low64.1Low116 Ų11649 Ų4950%0.50425%0.251SS..EExtended strand (participates in β ladder)trans-134.4136.1174.9-61.7-173.9178.6-169.60108.7K520 K521 G522 N539 K561K520-K541 PolarHBondContact O-N 3.21Å; K521-K541 WeakPolarHBondContact CA-O 3.38Å; G522-K541 PolarHBondContact N-O 3.23Å; G522-K541 VanDerWaalsContact N-O 3.12Å; N539-K541 WeakPolarHBondContact CB-O 3.06Å; K541-K561 WeakPolarHBondContact CA-O 2.89Å
542T64.3Low63.9Low2 Ų243.8 Ų43.81%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-142.2132179-70.20000110.8G522 N537 N539 V545 V559 K561 S562 E563G522-T542 WeakPolarHBondContact O-CA 3.23Å; G522-T542 WeakPolarHBondContact O-CG2 3.4Å; G522-T542 PolarHBondContact O-OG1 2.93Å; N537-T542 WeakPolarHBondContact ND2-CG2 3.35Å; N539-T542 WeakPolarHBondContact CB-OG1 3.39Å; N539-T542 PolarHBondContact ND2-OG1 3.03Å; T542-V545 HydrophobicContact CG2-CG2 4.02Å; T542-V559 VanDerWaalsContact OG1-CG1 3.27Å; T542-V559 WeakPolarHBondContact OG1-CG1 3.39Å; T542-K561 PolarHBondContact N-O 3.38Å; T542-S562 VanDerWaalsContact O-CA 3.3Å; T542-S562 WeakPolarHBondContact O-CA 3.16Å; T542-E563 PolarHBondContact O-N 3.11Å
543D62.3Low63.8Low71 Ų7147 Ų4738%0.3824%0.242SC..EExtended strand (participates in β ladder)trans-104121.4169-53.2-23.2000108.7D523 G524D523-D543 WeakPolarHBondContact CA-O 3.18Å; D523-D543 HydrophobicContact CB-CB 4.41Å; D523-D543 WeakPolarHBondContact OD1-CB 3.29Å; D523-D543 PolarHBondContact OD1-N 2.67Å; G524-D543 PolarHBondContact N-O 3.08Å
544T57.7Low63.5Low71 Ų7145 Ų4544%0.43624%0.243SC..  trans57.1117.9171.7-53.40000118G524 A546 E563 G564G524-T544 WeakPolarHBondContact CA-O 3.27Å; G524-T544 PolarHBondContact N-O 2.92Å; T544-A546 HydrophobicContact CG2-CB 4.32Å; T544-E563 WeakPolarHBondContact CA-O 3.38Å; T544-E563 PolarHBondContact N-O 3.06Å; T544-G564 WeakPolarHBondContact CA-O 3.36Å
545V58.9Low63.3Low1 Ų143.9 Ų43.91%0.00623%0.23CC..  trans-119.4107.7162.3-179.70000108.8N525 N537 T542 V555 G564 S565 P566N525-V545 HydrophobicContact CB-CG1 4.43Å; N525-V545 HydrophobicContact CB-CG2 4.49Å; N537-V545 HydrophobicContact CB-CG2 4.29Å; N537-V545 WeakPolarHBondContact ND2-CG2 3.29Å; T542-V545 HydrophobicContact CG2-CG2 4.02Å; V545-V555 HydrophobicContact CG1-CG1 4.23Å; V545-G564 PolarHBondContact N-O 3.35Å; V545-S565 CarbonylContact O-C 3.26Å; V545-S565 VanDerWaalsContact O-C 3.26Å; V545-S565 WeakPolarHBondContact O-CA 3.37Å; V545-P566 WeakPolarHBondContact O-CD 3.34Å
546A60.5Low63.2Low25 Ų2545.4 Ų45.421%0.20724%0.241CC..  trans-112.5110.4-175.700000111.7P526 T544 P566P526-A546 WeakPolarHBondContact CA-O 3.39Å; P526-A546 VanDerWaalsContact CB-O 3.23Å; P526-A546 WeakPolarHBondContact CB-O 3.3Å; T544-A546 HydrophobicContact CG2-CB 4.32Å; A546-P566 WeakPolarHBondContact CA-O 2.95Å; A546-P566 HydrophobicContact CB-CG 4.12Å
547N61.6Low62.8Low2 Ų244.5 Ų44.51%0.01124%0.235CC..EExtended strand (participates in β ladder)trans-107.6132.6174-67.9-45.1000110.3N527 A535 V555 P566 N567 Q568N527-N547 WeakPolarHBondContact CA-OD1 3.24Å; N527-N547 VanDerWaalsContact CB-OD1 3.24Å; N527-N547 WeakPolarHBondContact CB-OD1 3.47Å; N527-N547 PolarHBondContact N-OD1 3.08Å; A535-N547 WeakPolarHBondContact CB-ND2 3.31Å; N547-V555 WeakPolarHBondContact ND2-CG2 3.44Å; N547-P566 PolarHBondContact N-O 3.16Å; N547-P566 VanDerWaalsContact N-O 3.09Å; N547-N567 WeakPolarHBondContact O-CA 3.22Å; N547-N567 PolarHBondContact O-OD1 3.28Å; N547-Q568 PolarHBondContact O-N 3.06Å
548Q61.9Low62.7Low92 Ų9249.4 Ų49.443%0.4326%0.257SS..EExtended strand (participates in β ladder)trans-131.4127.6-179.7-61.5-175.437.500110.1N527 Q528 G529 Q552 Q568N527-Q548 PolarHBondContact O-N 2.99Å; N527-Q548 VanDerWaalsContact O-N 3.16Å; Q528-Q548 WeakPolarHBondContact CA-O 3.44Å; Q528-Q548 HydrophobicContact CG-CB 4.38Å; G529-Q548 PolarHBondContact N-O 2.86Å; G529-Q548 VanDerWaalsContact N-O 3.16Å; Q548-Q552 PolarHBondContact O-NE2 3.45Å; Q548-Q568 WeakPolarHBondContact CA-O 3.38Å; Q548-Q568 HydrophobicContact CG-CB 4.39Å
549G62.1Low62.2Low19 Ų1945.6 Ų45.620%0.19624%0.24CC..EExtended strand (participates in β ladder)trans178.6175176.300000115.7G529 Q568 G569G529-G549 WeakPolarHBondContact O-CA 3.43Å; G549-Q568 PolarHBondContact N-O 3.02Å; G549-G569 WeakPolarHBondContact O-CA 3.17Å
550T63.2Low61.9Low60 Ų6051.3 Ų51.337%0.36827%0.265SS..EExtended strand (participates in β ladder)trans-73.6-38.6179.1-43.80000111.6G529 K530 K570 K571G529-T550 PolarHBondContact O-N 3.07Å; K530-T550 VanDerWaalsContact O-CB 3.28Å; K530-T550 WeakPolarHBondContact O-CB 3.18Å; K530-T550 PolarHBondContact O-N 3.34Å; T550-K570 HydrophobicContact CG2-CB 4.24Å; T550-K570 HydrophobicContact CG2-CD 3.77Å; T550-K570 HydrophobicContact CG2-CG 4.02Å; T550-K570 WeakPolarHBondContact O-CB 3.16Å; T550-K570 PolarHBondContact O-N 3.15Å; T550-K570 VanDerWaalsContact O-N 3.11Å; T550-K571 PolarHBondContact O-N 3.16Å
551K63.4Low61.6Low101 Ų10149 Ų4944%0.43926%0.258SS..EExtended strand (participates in β ladder)trans-134127.8172.5-61.6-172.2177.6-167.60109.3K530 K531 G532 K571K530-K551 PolarHBondContact O-N 3.19Å; K531-K551 WeakPolarHBondContact CA-O 3.3Å; G532-K551 PolarHBondContact N-O 3.39Å; K551-K571 WeakPolarHBondContact CA-O 3.49Å
552Q61.1Low61.3Low3 Ų343.6 Ų43.61%0.01424%0.235CC..EExtended strand (participates in β ladder)trans-132.1130.2178.4-69.2-69.1-24.100109.6G532 Q548 K571 A572 E573G532-Q552 WeakPolarHBondContact O-CA 3.31Å; G532-Q552 PolarHBondContact O-OE1 2.94Å; Q548-Q552 PolarHBondContact O-NE2 3.45Å; Q552-K571 PolarHBondContact N-O 2.92Å; Q552-K571 VanDerWaalsContact N-O 3.11Å; Q552-A572 VanDerWaalsContact O-CA 3.31Å; Q552-A572 WeakPolarHBondContact O-CA 3.36Å; Q552-E573 PolarHBondContact O-N 3.43Å; Q552-E573 VanDerWaalsContact O-N 3.15Å
553E60.8Low61Low70 Ų7047.5 Ų47.533%0.32725%0.253SS..EExtended strand (participates in β ladder)trans-132141.3179.2-62175.5-170.400110.6G532 E533 G534 E573G532-E553 PolarHBondContact O-N 3.04Å; G532-E553 VanDerWaalsContact O-N 3.12Å; E533-E553 CarbonylContact C-O 3.59Å; E533-E553 WeakPolarHBondContact CA-O 3.5Å; E533-E553 HydrophobicContact CG-CB 4.34Å; G534-E553 PolarHBondContact N-O 3.07Å; E553-E573 HydrophobicContact CG-CB 4.26Å
554G56.7Low60.5Low38 Ų3844.8 Ų44.839%0.39224%0.242SC..  trans78.149.6164.400000116.7G534 A535 E573 G574G534-G554 WeakPolarHBondContact CA-O 3.38Å; A535-G554 PolarHBondContact N-O 3.23Å; G554-E573 PolarHBondContact N-O 3.06Å; G554-G574 WeakPolarHBondContact CA-O 3.44Å
555V59Low60.3Low7 Ų742.1 Ų42.14%0.04223%0.226CC..  trans-88106.4173.7-174.50000109.7A535 V545 N547 G574 A575A535-V555 HydrophobicContact CB-CG1 4.39Å; A535-V555 CarbonylContact O-C 3.54Å; A535-V555 WeakPolarHBondContact O-CA 3.34Å; V545-V555 HydrophobicContact CG1-CG1 4.23Å; N547-V555 WeakPolarHBondContact ND2-CG2 3.44Å; V555-G574 PolarHBondContact N-O 3.11Å; V555-G574 VanDerWaalsContact N-O 3.16Å; V555-A575 HydrophobicContact CB-CB 4.39Å; V555-A575 CarbonylContact O-C 3.57Å; V555-A575 WeakPolarHBondContact O-CA 3.44Å
556S61.5Low60.2Low34 Ų3443.7 Ų43.724%0.23824%0.237CC..EExtended strand (participates in β ladder)trans-115118.9-178.6-172.90000112.4A535 S536 N537A535-S556 PolarHBondContact O-N 2.94Å; S536-S556 VanDerWaalsContact CA-O 3.26Å; S536-S556 WeakPolarHBondContact CA-O 3.48Å; S536-S556 PolarHBondContact OG-O 2.96Å; N537-S556 PolarHBondContact N-O 3.36Å
557N60.4Low60Low1 Ų143.2 Ų43.21%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-116.9120.9171.3-50.2-57.5000111N537 V559 S565 P576 N577 Q578N537-N557 WeakPolarHBondContact CB-OD1 3.45Å; N537-N557 WeakPolarHBondContact O-CA 3.35Å; N557-V559 HydrophobicContact CB-CG2 3.87Å; N557-S565 PolarHBondContact ND2-OG 3.09Å; N557-P576 PolarHBondContact N-O 3.04Å; N557-N577 VanDerWaalsContact CB-OD1 3.23Å; N557-N577 WeakPolarHBondContact CB-OD1 3.46Å; N557-N577 PolarHBondContact ND2-OD1 3.26Å; N557-Q578 PolarHBondContact O-N 3.21Å
558Q64.1Low59.8Low102 Ų10247 Ų4748%0.47725%0.248SC..EExtended strand (participates in β ladder)trans-106.397.6167.5-72.1-176.718.300108.3N537N537-Q558 PolarHBondContact O-N 3.29Å
559V61.4Low59.6Low6 Ų643.5 Ų43.54%0.03624%0.237CC..  trans-139.8136.9-168.3-87.50000112.2N539 T542 N557 Q578 G579N539-V559 HydrophobicContact CB-CG1 4.24Å; N539-V559 VanDerWaalsContact O-CA 3.27Å; N539-V559 WeakPolarHBondContact O-CA 3.5Å; N539-V559 WeakPolarHBondContact O-CG1 3.33Å; T542-V559 VanDerWaalsContact OG1-CG1 3.27Å; T542-V559 WeakPolarHBondContact OG1-CG1 3.39Å; N557-V559 HydrophobicContact CB-CG2 3.87Å; V559-Q578 PolarHBondContact N-O 2.85Å; V559-Q578 VanDerWaalsContact O-O 3.12Å; V559-G579 WeakPolarHBondContact O-CA 3.3Å
560K62.9Low59.4Low125 Ų12549 Ų4954%0.54326%0.255SS..SBendtrans-74-37.2178.4-63.7-175.7177.1-177.20112.3R540 K580 K581R540-K560 WeakPolarHBondContact O-CB 3.26Å; R540-K560 PolarHBondContact O-N 3.3Å; R540-K560 VanDerWaalsContact O-N 3.14Å; K560-K580 WeakPolarHBondContact O-CB 3.42Å; K560-K580 PolarHBondContact O-N 3.29Å; K560-K580 VanDerWaalsContact O-N 3.08Å; K560-K581 PolarHBondContact O-N 3.05Å
561K61.9Low59.1Low82 Ų8249.2 Ų49.236%0.35725%0.251SS..EExtended strand (participates in β ladder)trans-137.4134.1174.2-167.5-164.2-176.1-133.30109.1R540 K541 T542 E563 K581R540-K561 PolarHBondContact O-N 3.22Å; K541-K561 WeakPolarHBondContact CA-O 2.89Å; T542-K561 PolarHBondContact N-O 3.38Å; K561-E563 IonicContact NZ-OE1 2.78Å; K561-E563 PolarHBondContact NZ-OE1 3.17Å; K561-K581 WeakPolarHBondContact CA-O 3.34Å
562S60.9Low58.8Low4 Ų444.6 Ų44.63%0.02823%0.232CC..EExtended strand (participates in β ladder)trans-143.4141.8174.460.40000113T542 K581 K582 D583T542-S562 VanDerWaalsContact O-CA 3.3Å; T542-S562 WeakPolarHBondContact O-CA 3.16Å; S562-K581 PolarHBondContact N-O 3.46Å; S562-K582 WeakPolarHBondContact OG-CG 3.48Å; S562-D583 PolarHBondContact O-N 3.26Å
563E57.8Low58.5Low83 Ų8347.6 Ų47.639%0.38825%0.246SC..EExtended strand (participates in β ladder)trans-107.7104.3170.9-69.4170.3-158.200107.8T542 T544 K561T542-E563 PolarHBondContact O-N 3.11Å; T544-E563 WeakPolarHBondContact CA-O 3.38Å; T544-E563 PolarHBondContact N-O 3.06Å; K561-E563 IonicContact NZ-OE1 2.78Å; K561-E563 PolarHBondContact NZ-OE1 3.17Å
564G52.1Low58Low14 Ų1445.5 Ų45.514%0.14424%0.243CC..  trans71.2130.2173.200000118.4T544 V545 D583 G584T544-G564 WeakPolarHBondContact CA-O 3.36Å; V545-G564 PolarHBondContact N-O 3.35Å; G564-D583 PolarHBondContact N-O 2.96Å; G564-D583 VanDerWaalsContact N-O 3.11Å; G564-G584 VanDerWaalsContact CA-O 3.3Å; G564-G584 WeakPolarHBondContact CA-O 3.32Å
565S54.9Low57.9Low15 Ų1544.8 Ų44.811%0.10523%0.233CC..  trans-138.372.3161.7-62.10000111.2V545 N557 N567 S585V545-S565 CarbonylContact O-C 3.26Å; V545-S565 VanDerWaalsContact O-C 3.26Å; V545-S565 WeakPolarHBondContact O-CA 3.37Å; N557-S565 PolarHBondContact ND2-OG 3.09Å; S565-N567 PolarHBondContact O-N 3.16Å; S565-S585 PolarHBondContact N-OG 3.12Å; S565-S585 VanDerWaalsContact N-OG 3.12Å
566P56.9Low57.6Low34 Ų3447.2 Ų47.222%0.22125%0.25CC..  trans-68.1132.7-178.825.2-31.3000112.2V545 A546 N547 P586V545-P566 WeakPolarHBondContact O-CD 3.34Å; A546-P566 WeakPolarHBondContact CA-O 2.95Å; A546-P566 HydrophobicContact CB-CG 4.12Å; N547-P566 PolarHBondContact N-O 3.16Å; N547-P566 VanDerWaalsContact N-O 3.09Å; P566-P586 VanDerWaalsContact CA-O 3.25Å; P566-P586 WeakPolarHBondContact CA-O 3.31Å; P566-P586 HydrophobicContact CB-CG 4.38Å
567N55.1Low57.1Low15 Ų1546 Ų468%0.0824%0.241CC..EExtended strand (participates in β ladder)trans-120.4121.3170.1-160.3-5.7000108.3N547 S565 S587 Q588N547-N567 WeakPolarHBondContact O-CA 3.22Å; N547-N567 PolarHBondContact O-OD1 3.28Å; S565-N567 PolarHBondContact O-N 3.16Å; N567-S587 WeakPolarHBondContact O-CA 3.01Å; N567-S587 PolarHBondContact O-OG 3.04Å; N567-Q588 PolarHBondContact O-N 3.41Å; N567-Q588 VanDerWaalsContact O-N 3.09Å
568Q58Low56.9Low82 Ų8250.6 Ų50.638%0.38326%0.262SS..EExtended strand (participates in β ladder)trans-120.2124.7-178.8-65.4-175.2-6.100110.2N547 Q548 G549 Q588N547-Q568 PolarHBondContact O-N 3.06Å; Q548-Q568 WeakPolarHBondContact CA-O 3.38Å; Q548-Q568 HydrophobicContact CG-CB 4.39Å; G549-Q568 PolarHBondContact N-O 3.02Å; Q568-Q588 WeakPolarHBondContact CA-O 3.49Å; Q568-Q588 HydrophobicContact CG-CB 4.4Å
569G57.5Low56.5Low19 Ų1946.6 Ų46.620%0.19625%0.248CC..EExtended strand (participates in β ladder)trans-177.3179.1177.300000116.2G549 Q588 A589G549-G569 WeakPolarHBondContact O-CA 3.17Å; G569-Q588 PolarHBondContact N-O 3.48Å; G569-Q588 VanDerWaalsContact N-O 3.09Å; G569-A589 WeakPolarHBondContact O-CA 3.46Å; G569-A589 WeakPolarHBondContact O-CB 3.37Å
570K57.4Low56.2Low133 Ų13352.2 Ų52.258%0.57827%0.271SS*.EExtended strand (participates in β ladder)trans-77.7-34.5175.4-63.4-170.4-175.6-179.70111.4T550 K590 K591T550-K570 HydrophobicContact CG2-CB 4.24Å; T550-K570 HydrophobicContact CG2-CD 3.77Å; T550-K570 HydrophobicContact CG2-CG 4.02Å; T550-K570 WeakPolarHBondContact O-CB 3.16Å; T550-K570 PolarHBondContact O-N 3.15Å; T550-K570 VanDerWaalsContact O-N 3.11Å; K570-K590 WeakPolarHBondContact O-CB 3.16Å; K570-K590 PolarHBondContact O-N 3.49Å; K570-K591 PolarHBondContact O-N 3.43Å
571K57.2Low55.8Low65 Ų6552 Ų5228%0.28327%0.27SS..EExtended strand (participates in β ladder)trans-138.5128.3176.6-168.5-172.9-178.7-156.40109.3T550 K551 Q552 E573T550-K571 PolarHBondContact O-N 3.16Å; K551-K571 WeakPolarHBondContact CA-O 3.49Å; Q552-K571 PolarHBondContact N-O 2.92Å; Q552-K571 VanDerWaalsContact N-O 3.11Å; K571-E573 WeakPolarHBondContact CE-OE1 3.28Å; K571-E573 IonicContact NZ-OE1 2.6Å; K571-E573 PolarHBondContact NZ-OE1 3.24Å
572A57.5Low55.5Low4 Ų449 Ų493%0.03326%0.257CS..EExtended strand (participates in β ladder)trans-130.1126.2173.300000110.1Q552 A589 K591 V592 D593Q552-A572 VanDerWaalsContact O-CA 3.31Å; Q552-A572 WeakPolarHBondContact O-CA 3.36Å; A572-A589 HydrophobicContact CB-CB 4.22Å; A572-K591 PolarHBondContact N-O 3.2Å; A572-K591 VanDerWaalsContact N-O 3.1Å; A572-V592 WeakPolarHBondContact O-CA 3.46Å; A572-D593 PolarHBondContact O-N 3.12Å; A572-D593 VanDerWaalsContact O-N 3.1Å
573E55Low55.1Low67 Ų6752.4 Ų52.431%0.31328%0.275SS..EExtended strand (participates in β ladder)trans-117.3138.3173.8-57.3-168.9165.500110.6Q552 E553 G554 K571 D593Q552-E573 PolarHBondContact O-N 3.43Å; Q552-E573 VanDerWaalsContact O-N 3.15Å; E553-E573 HydrophobicContact CG-CB 4.26Å; G554-E573 PolarHBondContact N-O 3.06Å; K571-E573 WeakPolarHBondContact CE-OE1 3.28Å; K571-E573 IonicContact NZ-OE1 2.6Å; K571-E573 PolarHBondContact NZ-OE1 3.24Å; E573-D593 HydrophobicContact CG-CB 4.07Å
574G50.7Low54.7Low26 Ų2649.5 Ų49.527%0.26827%0.268SS..  trans67.386.9160.300000115.1G554 V555 P576 D593 A594G554-G574 WeakPolarHBondContact CA-O 3.44Å; V555-G574 PolarHBondContact N-O 3.11Å; V555-G574 VanDerWaalsContact N-O 3.16Å; G574-P576 WeakPolarHBondContact O-CD 3.25Å; G574-D593 PolarHBondContact N-O 3.15Å; G574-A594 WeakPolarHBondContact CA-O 3.06Å; G574-A594 PolarHBondContact N-O 3.1Å
575A53.1Low54.7Low22 Ų2250.5 Ų50.518%0.18227%0.273CS..  trans-115.671165.400000112V555 N577V555-A575 HydrophobicContact CB-CB 4.39Å; V555-A575 CarbonylContact O-C 3.57Å; V555-A575 WeakPolarHBondContact O-CA 3.44Å; A575-N577 WeakPolarHBondContact O-CB 3.44Å; A575-N577 PolarHBondContact O-N 3.14Å; A575-N577 VanDerWaalsContact O-N 3.15Å
576P53.4Low54.5Low59 Ų5952.2 Ų52.238%0.38328%0.284SS..  trans-65.5116.9175.326.7-31.4000109.4N557 G574N557-P576 PolarHBondContact N-O 3.04Å; G574-P576 WeakPolarHBondContact O-CD 3.25Å
577N50.9Low54.1Low9 Ų951.7 Ų51.75%0.04828%0.281CS..EExtended strand (participates in β ladder)trans-132.597.5-165-104.4-26000107.8N557 A575 K582 A596 N597 Q598N557-N577 VanDerWaalsContact CB-OD1 3.23Å; N557-N577 WeakPolarHBondContact CB-OD1 3.46Å; N557-N577 PolarHBondContact ND2-OD1 3.26Å; A575-N577 WeakPolarHBondContact O-CB 3.44Å; A575-N577 PolarHBondContact O-N 3.14Å; A575-N577 VanDerWaalsContact O-N 3.15Å; N577-K582 PolarHBondContact O-NZ 3.06Å; N577-A596 PolarHBondContact N-O 3.1Å; N577-N597 WeakPolarHBondContact CB-OD1 3.42Å; N577-Q598 PolarHBondContact O-N 3.47Å
578Q56.2Low54Low97 Ų9755.4 Ų55.445%0.45330%0.298SS..EExtended strand (participates in β ladder)trans-104.2130.8-176.4-65.4-179.97.700111.1N557 V559N557-Q578 PolarHBondContact O-N 3.21Å; V559-Q578 PolarHBondContact N-O 2.85Å; V559-Q578 VanDerWaalsContact O-O 3.12Å
579G55.1Low53.9Low17 Ų1751.8 Ų51.818%0.17528%0.282CS..  trans-174.2166.8177.800000116.9V559 Q598 G599V559-G579 WeakPolarHBondContact O-CA 3.3Å; G579-Q598 PolarHBondContact N-O 2.88Å; G579-G599 WeakPolarHBondContact O-CA 3.47Å
580K55.2Low53.7Low124 Ų12457.1 Ų57.154%0.53930%0.299SS..SBendtrans-84.6-36.5-177.1-67.1-169.5178.4-169.50113.5K560 K600 K601K560-K580 WeakPolarHBondContact O-CB 3.42Å; K560-K580 PolarHBondContact O-N 3.29Å; K560-K580 VanDerWaalsContact O-N 3.08Å; K580-K600 PolarHBondContact O-N 3.14Å; K580-K601 PolarHBondContact O-N 3.21Å
581K55.7Low53.5Low120 Ų12055.9 Ų55.952%0.52229%0.294SS..EExtended strand (participates in β ladder)trans-141.5133.3-178.6-63.3-170.7179.2-173.50110.8K560 K561 S562 K601K560-K581 PolarHBondContact O-N 3.05Å; K561-K581 WeakPolarHBondContact CA-O 3.34Å; S562-K581 PolarHBondContact N-O 3.46Å; K581-K601 VanDerWaalsContact CA-O 3.31Å; K581-K601 WeakPolarHBondContact CA-O 3.42Å; K581-K601 HydrophobicContact CG-CB 4.4Å
582K53.9Low53.4Low19 Ų1953.6 Ų53.68%0.08329%0.286CS..EExtended strand (participates in β ladder)trans-145.1141179.1-60.9-166.3175.3179.20113.1S562 N577 K601 S602 E603S562-K582 WeakPolarHBondContact OG-CG 3.48Å; N577-K582 PolarHBondContact O-NZ 3.06Å; K582-K601 PolarHBondContact N-O 3.09Å; K582-S602 WeakPolarHBondContact O-CA 2.9Å; K582-E603 PolarHBondContact O-N 3.49Å
583D53.9Low53.3Low76 Ų7656.2 Ų56.241%0.40630%0.299SS..EExtended strand (participates in β ladder)trans-113.2118.6171.2-53-31000108.4S562 G564S562-D583 PolarHBondContact O-N 3.26Å; G564-D583 PolarHBondContact N-O 2.96Å; G564-D583 VanDerWaalsContact N-O 3.11Å
584G48.1Very low53.1Low23 Ų2356 Ų5624%0.23731%0.309CS..  trans41.9103.916500000119G564 P586 E603G564-G584 VanDerWaalsContact CA-O 3.3Å; G564-G584 WeakPolarHBondContact CA-O 3.32Å; G584-P586 VanDerWaalsContact O-CD 3.26Å; G584-P586 WeakPolarHBondContact O-CD 3.38Å; G584-E603 WeakPolarHBondContact CA-O 3.08Å; G584-E603 PolarHBondContact N-O 3.24Å
585S52Low53.1Low34 Ų3455.7 Ų55.724%0.23830%0.304CS..  trans-109.686.3164.1-69.20000111S565 S587S565-S585 PolarHBondContact N-OG 3.12Å; S565-S585 VanDerWaalsContact N-OG 3.12Å; S585-S587 PolarHBondContact O-N 3.31Å
586P50.8Low52.9Low52 Ų5256.8 Ų56.834%0.33831%0.313SS..  trans-68.9120.7176.524.2-29.1000110.4P566 G584 A605P566-P586 VanDerWaalsContact CA-O 3.25Å; P566-P586 WeakPolarHBondContact CA-O 3.31Å; P566-P586 HydrophobicContact CB-CG 4.38Å; G584-P586 VanDerWaalsContact O-CD 3.26Å; G584-P586 WeakPolarHBondContact O-CD 3.38Å; P586-A605 HydrophobicContact CB-CB 3.95Å; P586-A605 HydrophobicContact CG-CB 4.34Å
587S48.7Very low52.7Low23 Ų2356.2 Ų56.216%0.16131%0.306CS..EExtended strand (participates in β ladder)trans-106.8117.8170-174.10000108.6N567 S585 A607 Q608N567-S587 WeakPolarHBondContact O-CA 3.01Å; N567-S587 PolarHBondContact O-OG 3.04Å; S585-S587 PolarHBondContact O-N 3.31Å; S587-A607 WeakPolarHBondContact O-CA 3Å; S587-Q608 PolarHBondContact O-N 3.09Å; S587-Q608 VanDerWaalsContact O-N 3.14Å
588Q54.3Low52.8Low92 Ų9259.8 Ų59.843%0.4332%0.323SS..EExtended strand (participates in β ladder)trans-107.6101.7173.6-70.9-176.91.500108.3N567 Q568 G569 Q608N567-Q588 PolarHBondContact O-N 3.41Å; N567-Q588 VanDerWaalsContact O-N 3.09Å; Q568-Q588 WeakPolarHBondContact CA-O 3.49Å; Q568-Q588 HydrophobicContact CG-CB 4.4Å; G569-Q588 PolarHBondContact N-O 3.48Å; G569-Q588 VanDerWaalsContact N-O 3.09Å; Q588-Q608 HydrophobicContact CG-CB 4.36Å
589A55.4Low52.6Low6 Ų656.1 Ų56.15%0.0531%0.311CS..EExtended strand (participates in β ladder)trans-144.8146.5171.900000112.9G569 A572 K591 V592 Q608 G609G569-A589 WeakPolarHBondContact O-CA 3.46Å; G569-A589 WeakPolarHBondContact O-CB 3.37Å; A572-A589 HydrophobicContact CB-CB 4.22Å; A589-K591 PolarHBondContact O-N 3.45Å; A589-V592 HydrophobicContact CB-CG2 3.82Å; A589-Q608 PolarHBondContact N-O 2.97Å; A589-G609 WeakPolarHBondContact O-CA 3.43Å
590K53.5Low52.5Low131 Ų13160.6 Ų60.657%0.5733%0.326SS*.EExtended strand (participates in β ladder)trans-62-31.9178.6-62.5-168.5176.5-162.20111.9K570 Q610 K611K570-K590 WeakPolarHBondContact O-CB 3.16Å; K570-K590 PolarHBondContact O-N 3.49Å; K590-Q610 PolarHBondContact O-N 3.41Å; K590-K611 PolarHBondContact O-N 2.6Å
591K53.7Low52.2Low107 Ų10761.6 Ų61.647%0.46533%0.33SS..EExtended strand (participates in β ladder)trans-135.6129.5171.9-64.7-171.9179.3-169.90110K570 A572 A589 K611K570-K591 PolarHBondContact O-N 3.43Å; A572-K591 PolarHBondContact N-O 3.2Å; A572-K591 VanDerWaalsContact N-O 3.1Å; A589-K591 PolarHBondContact O-N 3.45Å; K591-K611 HydrophobicContact CG-CB 4.47Å
592V53.4Low51.9Low18 Ų1859.3 Ų59.311%0.10933%0.329CS..EExtended strand (participates in β ladder)trans-123.7122.7172.9179.50000107.9A572 A589 K611 S613A572-V592 WeakPolarHBondContact O-CA 3.46Å; A589-V592 HydrophobicContact CB-CG2 3.82Å; V592-K611 PolarHBondContact N-O 3.44Å; V592-S613 PolarHBondContact O-N 3.04Å; V592-S613 PolarHBondContact O-OG 3.36Å
593D55.4Low51.7Low59 Ų5965.5 Ų65.532%0.31636%0.359SS..EExtended strand (participates in β ladder)trans-109.6125.9172.7-63.2-55.3000110.1A572 E573 G574 S613A572-D593 PolarHBondContact O-N 3.12Å; A572-D593 VanDerWaalsContact O-N 3.1Å; E573-D593 HydrophobicContact CG-CB 4.07Å; G574-D593 PolarHBondContact N-O 3.15Å; D593-S613 PolarHBondContact OD1-OG 3.36Å
594A50.7Low51.2Low63 Ų6368.4 Ų68.452%0.52137%0.371SS..  trans45.695.7171.400000116.3G574G574-A594 WeakPolarHBondContact CA-O 3.06Å; G574-A594 PolarHBondContact N-O 3.1Å
595A50.8Low51.2Low19 Ų1968.8 Ų68.816%0.15737%0.372CS..  trans-108.7111.3160.900000109V615A595-V615 WeakPolarHBondContact O-CG1 2.85Å
596A50.2Low50.8Low44 Ų4471.9 Ų71.936%0.36439%0.391SS..  trans-91.6108.116900000108.8N577N577-A596 PolarHBondContact N-O 3.1Å
597N49Very low50.7Low47 Ų4772.1 Ų72.125%0.25140%0.398SS..EExtended strand (participates in β ladder)trans-103.1122.6170.1-82.8-53.9000108.4N577N577-N597 WeakPolarHBondContact CB-OD1 3.42Å
598Q52.2Low50.5Low84 Ų8476.8 Ų76.839%0.39342%0.417SS..EExtended strand (participates in β ladder)trans-120.4124.3172.4-67.8-178.215.600109N577 G579 Q618N577-Q598 PolarHBondContact O-N 3.47Å; G579-Q598 PolarHBondContact N-O 2.88Å; Q598-Q618 HydrophobicContact CG-CB 4.38Å
599G51.5Low50.2Low20 Ų2074.1 Ų74.121%0.20641%0.414CS..  trans-168.4161.3172.700000115G579G579-G599 WeakPolarHBondContact O-CA 3.47Å
600K53.2Low50Low111 Ų11182.1 Ų82.148%0.48345%0.451SS..SBendtrans-82.7-20.4-176.5-63.8-164.4177.3-154.40113.5K580 A620K580-K600 PolarHBondContact O-N 3.14Å; K600-A620 HydrophobicContact CG-CB 4.26Å
601K50.4Low49.7Very low145 Ų14583 Ų8363%0.6345%0.454SS*.EExtended strand (participates in β ladder)trans-150.3115.4175.5-65-165.6177.8-159.50108.8K580 K581 K582K580-K601 PolarHBondContact O-N 3.21Å; K581-K601 VanDerWaalsContact CA-O 3.31Å; K581-K601 WeakPolarHBondContact CA-O 3.42Å; K581-K601 HydrophobicContact CG-CB 4.4Å; K582-K601 PolarHBondContact N-O 3.09Å
602S49.5Very low49.2Very low73 Ų7381.1 Ų81.151%0.5146%0.459SS..EExtended strand (participates in β ladder)trans-136.1124177.852.80000110.6K582K582-S602 WeakPolarHBondContact O-CA 2.9Å
603E48.1Very low48.9Very low149 Ų14982.8 Ų82.870%0.69647%0.472SS*.EExtended strand (participates in β ladder)trans-91.7117.6161.8-78.1-178.5175.700108.3K582 G584K582-E603 PolarHBondContact O-N 3.49Å; G584-E603 WeakPolarHBondContact CA-O 3.08Å; G584-E603 PolarHBondContact N-O 3.24Å
604M44.7Very low48.4Very low137 Ų13788 Ų8868%0.67550%0.496SS*.PPolyproline II helixtrans-87.9134.8-178.3-73.517660.700111
605A48.1Very low48.1Very low30 Ų3088.2 Ų88.225%0.24849%0.491CS..PPolyproline II helixtrans-88.5143.5156.400000108.4P586 A607P586-A605 HydrophobicContact CB-CB 3.95Å; P586-A605 HydrophobicContact CG-CB 4.34Å; A605-A607 PolarHBondContact O-N 3.44Å
606P43.6Very low47.6Very low99 Ų9994 Ų9464%0.64352%0.515SS*.PPolyproline II helixtrans-62.4136.2-178.623.8-32.2000111.4Q608P606-Q608 PolarHBondContact O-N 3.11Å
607A47.4Very low46.9Very low58 Ų5895.5 Ų95.548%0.47952%0.522SS..  trans-77.9113164.300000108.1S587 A605S587-A607 WeakPolarHBondContact O-CA 3Å; A605-A607 PolarHBondContact O-N 3.44Å
608Q46Very low46.7Very low120 Ų12099.7 Ų99.756%0.56154%0.54SS*.BIsolated β-bridgetrans-90.2110.4175.2-71.6179.8-36.500108.7S587 Q588 A589 P606S587-Q608 PolarHBondContact O-N 3.09Å; S587-Q608 VanDerWaalsContact O-N 3.14Å; Q588-Q608 HydrophobicContact CG-CB 4.36Å; A589-Q608 PolarHBondContact N-O 2.97Å; P606-Q608 PolarHBondContact O-N 3.11Å
609G47.1Very low46Very low36 Ų36102.2 Ų102.237%0.37155%0.552SS.*  trans-157.9144.1176.300000112.1A589 K611A589-G609 WeakPolarHBondContact O-CA 3.43Å; G609-K611 VanDerWaalsContact C-N 3.26Å; G609-K611 PolarHBondContact O-N 3.34Å
610Q51.8Low45.5Very low175 Ų175103.6 Ų103.682%0.81856%0.561SS**SBendtrans-72.4-20.5-178.5-72.5-172.3-25.700112.8K590K590-Q610 PolarHBondContact O-N 3.41Å
611K47.3Very low44.8Very low148 Ų148103.6 Ų103.664%0.64357%0.573SS**EExtended strand (participates in β ladder)trans-14293174.6-58.5-166.3-175.6-152.70109.3K590 K591 V592 G609K590-K611 PolarHBondContact O-N 2.6Å; K591-K611 HydrophobicContact CG-CB 4.47Å; V592-K611 PolarHBondContact N-O 3.44Å; G609-K611 VanDerWaalsContact C-N 3.26Å; G609-K611 PolarHBondContact O-N 3.34Å
612A43.4Very low44.3Very low68 Ų68104.5 Ų104.556%0.56258%0.577SS**EExtended strand (participates in β ladder)trans-99.2126.6171.800000109
613S46.3Very low43.7Very low54 Ų54109.8 Ų109.838%0.37859%0.593SS.*  trans-89.7156.4167.7590000110.7V592 D593 V615V592-S613 PolarHBondContact O-N 3.04Å; V592-S613 PolarHBondContact O-OG 3.36Å; D593-S613 PolarHBondContact OD1-OG 3.36Å; S613-V615 PolarHBondContact O-N 3.39Å
614M44.2Very low43.3Very low169 Ų169109.4 Ų109.483%0.83360%0.596SS**  trans-41120.4-169.4-138.2176.6-166.400114.3
615V44.5Very low42.9Very low67 Ų67107.2 Ų107.241%0.40660%0.6SS.*  trans-85.5109.1168.3173.90000107.6A595 S613A595-V615 WeakPolarHBondContact O-CG1 2.85Å; S613-V615 PolarHBondContact O-N 3.39Å
616Q40.6Very low42.3Very low141 Ų141111.4 Ų111.466%0.65962%0.624SS**  trans-83.6113.8172-84.9-177.3-11.200110.1
617S37Very low42.2Very low74 Ų74111.8 Ų111.852%0.51764%0.636SS.*EExtended strand (participates in β ladder)trans-102.5127.8169.6-71.50000109.5
618Q43.8Very low41.6Very low136 Ų136117.5 Ų117.564%0.63665%0.65SS**EExtended strand (participates in β ladder)trans-111.8114.8165.2-71.4-17041.800108.5Q598Q598-Q618 HydrophobicContact CG-CB 4.38Å
619E38.6Very low41.1Very low137 Ų137121 Ų12164%0.6466%0.663SS**PPolyproline II helixtrans-80.6122169.5-159.9175.216600107.9
620A40.3Very low40.8Very low48 Ų48129.5 Ų129.540%0.39769%0.69SS.*PPolyproline II helixtrans-66.9130-179.800000109.7K600 K622K600-A620 HydrophobicContact CG-CB 4.26Å; A620-K622 PolarHBondContact O-N 3.27Å
621P38.3Very low40Very low112 Ų112127.2 Ų127.273%0.72769%0.693SS**PPolyproline II helixtrans-54.1135.5-175.3-23.930.8000112Q623P621-Q623 PolarHBondContact O-N 3.27Å
622K39Very low39.7Very low163 Ų163124 Ų12471%0.70970%0.703SS**  trans-64.6104.1170.7-66.2174.2-175.6168.40107A620 D624A620-K622 PolarHBondContact O-N 3.27Å; K622-D624 PolarHBondContact O-N 3.35Å
623Q38.1Very low39.3Very low185 Ų185126.2 Ų126.286%0.86471%0.714SS**  trans-70.886164.5-77.7-174.5-41.700106.9P621 A625P621-Q623 PolarHBondContact O-N 3.27Å; Q623-A625 PolarHBondContact O-N 3.42Å
624D39.1Very low39.3Very low140 Ų140134.9 Ų134.975%0.74974%0.738SS**  trans-65.2122.2163.5-72-38.2000107.3K622K622-D624 PolarHBondContact O-N 3.35Å
625A35.7Very low39.1Very low91 Ų91135.8 Ų135.875%0.75274%0.738SS**  trans-62.9143.6-176.700000110.5Q623 A627Q623-A625 PolarHBondContact O-N 3.42Å; A625-A627 PolarHBondContact O-N 3.38Å
626P36.6Very low38.8Very low118 Ų118140.3 Ų140.377%0.76675%0.752SS**  trans-81.4108.5-163.831.4-33000111.5K628P626-K628 PolarHBondContact O-N 3.45Å
627A40.9Very low38.9Very low107 Ų107137.7 Ų137.788%0.88476%0.763SS**  trans-77.7102.1162.500000108.8A625A625-A627 PolarHBondContact O-N 3.38Å
628K35.7Very low38.9Very low179 Ų179141 Ų14178%0.77877%0.77SS**  trans-57.7141.9178.8-79.5179.1176175.20112.6P626P626-K628 PolarHBondContact O-N 3.45Å
629K35.4Very low39.1Very low194 Ų194140.3 Ų140.384%0.84378%0.777SS**  trans79.5108.4151.6-65.1170.1179.9-169.30117.9
630K40.1Very low39.5Very low213 Ų213140.4 Ų140.493%0.92679%0.787SS**  -159.5109113.9-102.6178.4-174-175.90109.8
631S35Very low39.5Very low127 Ų127147.8 Ų147.889%0.88883%0.833SS**  trans-73.5132.9169.552.60000109.9
632G41.6Very low39.6Very low82 Ų82149.6 Ų149.685%0.84584%0.839SS**  trans-156.982173.800000110.3
633S34.6Very low39.6Very low113 Ų113148.9 Ų148.979%0.7985%0.846SS**  trans-71.1133.8172.2167.20000110.9
634R45.4Very low39.7Very low237 Ų237146.9 Ų146.989%0.89484%0.844SS**  trans177105.8141.3-96.2161.8-171.7-156.13.1107.9
635K39.8Very low39.7Very low188 Ų188147.3 Ų147.382%0.81785%0.85SS**  95.6103.768.9-163.6176.7-169.6-175.20110.8
636K39.7Very low39.9Very low162 Ų162150.8 Ų150.870%0.70486%0.856SS**  trans42.2106.1147.2-70.2-170.6165.3-1400118.6E638K636-E638 IonicContact NZ-OE2 2.76Å; K636-E638 PolarHBondContact NZ-OE2 2.76Å
637G41.9Very low40.2Very low86 Ų86153 Ų15389%0.88786%0.862SS**  trans-110.2102.6140.900000108.5
638E38Very low40.1Very low143 Ų143156.3 Ų156.367%0.66886%0.861SS**  trans-108.2173.4161.3-72.5176.1106.100106.7K636K636-E638 IonicContact NZ-OE2 2.76Å; K636-E638 PolarHBondContact NZ-OE2 2.76Å
639P47.1Very low40.5Very low121 Ų121154.5 Ų154.579%0.78687%0.867SS**  -121.7163.1-60.135-20.1000110.3
640V46.3Very low40.9Very low139 Ų139151.3 Ų151.384%0.84287%0.869SS**  trans-128.5112.6171.4-174.40000109.7
641C41.1Very low41Very low204 Ų204145.6 Ų145.6100%1.37886%0.864SS**  trans570163.6-63.30000120

Retrieved 641 of 641 residues in 132.4 ms (Link to these results)