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Isoform RRp61 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 Q99PL5-2 (canonical: Q99PL5), Species MOUSE (Mus musculus, Mouse), Gene Rrbp1, Length 842 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
1M48.6Very low66.5Low219 Ų219123.5 Ų123.5100%1.07965%0.649SS**  0100.90-9758.5-178.800108I3M1-I3 PolarHBondContact O-N 2.92Å
2D53Low67.7Low139 Ų139121.9 Ų121.974%0.74365%0.648SS**  trans-82.7106.6-170.4-59.7-85.2000110.4Y4D2-Y4 PolarHBondContact O-N 3.38Å
3I57.8Low68.9Low143 Ų143120.2 Ų120.273%0.73364%0.644SS**THydrogen-bonded Turntrans-71.33179.3-35.6-178.8000111.4M1M1-I3 PolarHBondContact O-N 2.92Å
4Y65.9Low69.9Low210 Ų210121.6 Ų121.682%0.82464%0.642SS**THydrogen-bonded Turntrans-119.18.1-173.5-74.7-79.3000114.2D2 T6D2-Y4 PolarHBondContact O-N 3.38Å; Y4-T6 PolarHBondContact O-N 3.14Å
5D68.8Low70.9Confident63 Ų63115.9 Ų115.934%0.33762%0.624SS.*  trans-62.4128.7166.9152.554.7000110.3Q7 T8 L9D5-Q7 PolarHBondContact O-N 3.27Å; D5-Q7 PolarHBondContact OD1-N 2.87Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.38Å; D5-Q7 PolarHBondContact OD2-N 2.98Å; D5-T8 WeakPolarHBondContact CB-OG1 3.03Å; D5-T8 PolarHBondContact O-N 2.82Å; D5-T8 PolarHBondContact O-OG1 3.27Å; D5-T8 WeakPolarHBondContact OD2-CB 3.27Å; D5-T8 WeakPolarHBondContact OD2-CG2 3.26Å; D5-T8 PolarHBondContact OD2-N 2.89Å; D5-T8 PolarHBondContact OD2-OG1 3.12Å; D5-L9 WeakPolarHBondContact O-CB 3.37Å; D5-L9 PolarHBondContact O-N 2.97Å
6T67.2Low71.9Confident119 Ų119110.9 Ų110.973%0.7361%0.609SS**Hα-helixtrans-62.9-26.8-177.2-37.20000112.5Y4 G10Y4-T6 PolarHBondContact O-N 3.14Å; T6-G10 PolarHBondContact O-N 3.08Å
7Q71.4Confident72.9Confident157 Ų157112.4 Ų112.473%0.73461%0.608SS**Hα-helixtrans-73.8-50.7177.4-56.9-167.922.800111.5D5 L9 G10 V11D5-Q7 PolarHBondContact O-N 3.27Å; D5-Q7 PolarHBondContact OD1-N 2.87Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.38Å; D5-Q7 PolarHBondContact OD2-N 2.98Å; Q7-L9 PolarHBondContact O-N 3.32Å; Q7-G10 WeakPolarHBondContact O-CA 3.43Å; Q7-G10 PolarHBondContact O-N 2.84Å; Q7-G10 VanDerWaalsContact O-N 3.12Å; Q7-V11 WeakPolarHBondContact O-CG2 3.4Å; Q7-V11 PolarHBondContact O-N 2.91Å
8T71.7Confident73.9Confident70 Ų70113.1 Ų113.143%0.42961%0.608SS.*Hα-helixtrans-61.9-40.7175.443.70000112D5 G10 V11 V12D5-T8 WeakPolarHBondContact CB-OG1 3.03Å; D5-T8 PolarHBondContact O-N 2.82Å; D5-T8 PolarHBondContact O-OG1 3.27Å; D5-T8 WeakPolarHBondContact OD2-CB 3.27Å; D5-T8 WeakPolarHBondContact OD2-CG2 3.26Å; D5-T8 PolarHBondContact OD2-N 2.89Å; D5-T8 PolarHBondContact OD2-OG1 3.12Å; T8-G10 VanDerWaalsContact C-N 3.3Å; T8-G10 PolarHBondContact O-N 3.39Å; T8-V11 PolarHBondContact O-N 2.69Å; T8-V12 WeakPolarHBondContact O-CG2 3.34Å; T8-V12 PolarHBondContact O-N 2.94Å
9L74.9Confident74.8Confident94 Ų94111.7 Ų111.749%0.49260%0.604SS.*Hα-helixtrans-59.4-41.8171.9-168.272.2000111.6D5 Q7 V12 V13D5-L9 WeakPolarHBondContact O-CB 3.37Å; D5-L9 PolarHBondContact O-N 2.97Å; Q7-L9 PolarHBondContact O-N 3.32Å; L9-V12 PolarHBondContact O-N 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.4Å; L9-V13 PolarHBondContact O-N 3.31Å
10G74.2Confident75.6Confident38 Ų38111.2 Ų111.239%0.39261%0.605SS.*Hα-helixtrans-59.7-45.2173.300000113T6 Q7 T8 V13 F14T6-G10 PolarHBondContact O-N 3.08Å; Q7-G10 WeakPolarHBondContact O-CA 3.43Å; Q7-G10 PolarHBondContact O-N 2.84Å; Q7-G10 VanDerWaalsContact O-N 3.12Å; T8-G10 VanDerWaalsContact C-N 3.3Å; T8-G10 PolarHBondContact O-N 3.39Å; G10-V13 PolarHBondContact O-N 3.07Å; G10-F14 VanDerWaalsContact O-CB 3.31Å; G10-F14 WeakPolarHBondContact O-CB 3.48Å; G10-F14 PolarHBondContact O-N 2.76Å
11V78.1Confident76.3Confident106 Ų106107.8 Ų107.864%0.64259%0.589SS**Hα-helixtrans-63.7-42.4176.81730000111.5Q7 T8 G15Q7-V11 WeakPolarHBondContact O-CG2 3.4Å; Q7-V11 PolarHBondContact O-N 2.91Å; T8-V11 PolarHBondContact O-N 2.69Å; V11-G15 WeakPolarHBondContact O-CA 3.49Å; V11-G15 PolarHBondContact O-N 2.55Å
12V81.3Confident78.4Confident105 Ų105100 Ų10064%0.63656%0.56SS**Hα-helixtrans-63.4-46.7177.4170.70000111.2T8 L9 G16T8-V12 WeakPolarHBondContact O-CG2 3.34Å; T8-V12 PolarHBondContact O-N 2.94Å; L9-V12 PolarHBondContact O-N 3.31Å; V12-G16 PolarHBondContact O-N 3.39Å
13V83.2Confident80.2Confident99 Ų9998 Ų9860%0.655%0.548SS*.Hα-helixtrans-66-45179.1172.30000111.5L9 G10 F17L9-V13 WeakPolarHBondContact O-CG2 3.4Å; L9-V13 PolarHBondContact O-N 3.31Å; G10-V13 PolarHBondContact O-N 3.07Å; V13-F17 WeakPolarHBondContact O-CB 3.34Å; V13-F17 PolarHBondContact O-N 2.97Å
14F82Confident81.8Confident140 Ų14092.7 Ų92.761%0.61453%0.528SS*.Hα-helixtrans-73.4-38-177.4-145.7-86.8000112.3G10 F17 M18G10-F14 VanDerWaalsContact O-CB 3.31Å; G10-F14 WeakPolarHBondContact O-CB 3.48Å; G10-F14 PolarHBondContact O-N 2.76Å; F14-F17 PolarHBondContact O-N 3.25Å; F14-M18 HydrophobicContact CE1-CE 4.35Å; F14-M18 PolarHBondContact O-N 2.89Å
15G85.3Confident82.9Confident36 Ų3688.1 Ų88.137%0.37152%0.517SS..Hα-helixtrans-64.9-46.917300000112.1V11 F17 M18 V19V11-G15 WeakPolarHBondContact O-CA 3.49Å; V11-G15 PolarHBondContact O-N 2.55Å; G15-F17 VanDerWaalsContact C-N 3.34Å; G15-F17 PolarHBondContact O-N 2.84Å; G15-M18 PolarHBondContact O-N 3.09Å; G15-M18 VanDerWaalsContact O-N 3.15Å; G15-V19 WeakPolarHBondContact O-CG2 3.36Å; G15-V19 PolarHBondContact O-N 2.82Å
16G86.4Confident83.7Confident37 Ų3792 Ų9238%0.38153%0.531SS..Hα-helixtrans-58.8-43.9173.900000112.4V12 M18 V19 V20V12-G16 PolarHBondContact O-N 3.39Å; G16-M18 PolarHBondContact O-N 2.97Å; G16-V19 PolarHBondContact O-N 3.31Å; G16-V20 WeakPolarHBondContact O-CG2 3.19Å; G16-V20 PolarHBondContact O-N 3.05Å
17F89.1Confident84.6Confident136 Ų13691.6 Ų91.660%0.59652%0.524SS*.Hα-helixtrans-62.5-38.7174.5-177-99.3000112.7V13 F14 G15 S21V13-F17 WeakPolarHBondContact O-CB 3.34Å; V13-F17 PolarHBondContact O-N 2.97Å; F14-F17 PolarHBondContact O-N 3.25Å; G15-F17 VanDerWaalsContact C-N 3.34Å; G15-F17 PolarHBondContact O-N 2.84Å; F17-S21 WeakPolarHBondContact CE1-OG 3.31Å; F17-S21 WeakPolarHBondContact O-CB 3.44Å; F17-S21 PolarHBondContact O-N 3.36Å; F17-S21 PolarHBondContact O-OG 3.33Å
18M92Very high85Confident124 Ų12488.7 Ų88.761%0.61152%0.517SS*.Hα-helixtrans-65.1-42.2173.6-85.1-155.2164.600112.7F14 G15 G16 S21 A22F14-M18 HydrophobicContact CE1-CE 4.35Å; F14-M18 PolarHBondContact O-N 2.89Å; G15-M18 PolarHBondContact O-N 3.09Å; G15-M18 VanDerWaalsContact O-N 3.15Å; G16-M18 PolarHBondContact O-N 2.97Å; M18-S21 PolarHBondContact O-N 2.91Å; M18-A22 WeakPolarHBondContact O-CB 3Å; M18-A22 PolarHBondContact O-N 2.82Å
19V90.5Very high85.1Confident88 Ų8887.9 Ų87.953%0.53351%0.514SS..Hα-helixtrans-63.6-47.8177.41730000111G15 G16 S21 A22 I23G15-V19 WeakPolarHBondContact O-CG2 3.36Å; G15-V19 PolarHBondContact O-N 2.82Å; G16-V19 PolarHBondContact O-N 3.31Å; V19-S21 VanDerWaalsContact C-N 3.31Å; V19-S21 PolarHBondContact O-N 2.83Å; V19-A22 PolarHBondContact O-N 3Å; V19-I23 HydrophobicContact CG1-CD1 3.9Å; V19-I23 WeakPolarHBondContact O-CG1 3.43Å; V19-I23 PolarHBondContact O-N 2.91Å
20V91.6Very high85.3Confident101 Ų10186.8 Ų86.861%0.61251%0.512SS*.Hα-helixtrans-62.2-39.7176.3174.10000111.2G16 G24G16-V20 WeakPolarHBondContact O-CG2 3.19Å; G16-V20 PolarHBondContact O-N 3.05Å; V20-G24 PolarHBondContact O-N 2.92Å
21S90.3Very high85Confident39 Ų3991.7 Ų91.727%0.27352%0.522SS..Hα-helixtrans-64.8-42175.5-63.30000112.2F17 M18 V19 G24 I25F17-S21 WeakPolarHBondContact CE1-OG 3.31Å; F17-S21 WeakPolarHBondContact O-CB 3.44Å; F17-S21 PolarHBondContact O-N 3.36Å; F17-S21 PolarHBondContact O-OG 3.33Å; M18-S21 PolarHBondContact O-N 2.91Å; V19-S21 VanDerWaalsContact C-N 3.31Å; V19-S21 PolarHBondContact O-N 2.83Å; S21-G24 PolarHBondContact O-N 3.44Å; S21-I25 WeakPolarHBondContact O-CB 3.21Å; S21-I25 VanDerWaalsContact O-CG1 3.24Å; S21-I25 WeakPolarHBondContact O-CG1 3.4Å; S21-I25 PolarHBondContact O-N 2.98Å
22A91.2Very high84.5Confident57 Ų5789.9 Ų89.947%0.47151%0.514SS..Hα-helixtrans-63.8-44.6177.400000111.7M18 V19 I25 F26M18-A22 WeakPolarHBondContact O-CB 3Å; M18-A22 PolarHBondContact O-N 2.82Å; V19-A22 PolarHBondContact O-N 3Å; A22-I25 PolarHBondContact O-N 2.86Å; A22-F26 WeakPolarHBondContact O-CB 3.36Å; A22-F26 PolarHBondContact O-N 3.01Å
23I91.8Very high83.6Confident95 Ų9591.4 Ų91.449%0.48752%0.516SS..Hα-helixtrans-62-44.3174.4-65.9166.3000110.5V19 I25 F26 L27V19-I23 HydrophobicContact CG1-CD1 3.9Å; V19-I23 WeakPolarHBondContact O-CG1 3.43Å; V19-I23 PolarHBondContact O-N 2.91Å; I23-I25 PolarHBondContact O-N 2.92Å; I23-F26 PolarHBondContact O-N 2.89Å; I23-L27 HydrophobicContact CG2-CD1 3.96Å; I23-L27 HydrophobicContact CG2-CG 4.38Å; I23-L27 WeakPolarHBondContact O-CB 2.96Å; I23-L27 WeakPolarHBondContact O-CG 3.29Å; I23-L27 PolarHBondContact O-N 2.83Å
24G91.6Very high82.3Confident32 Ų3294.5 Ų94.533%0.3352%0.521SS..Hα-helixtrans-60.6-44.6176.600000113.2V20 S21 V28V20-G24 PolarHBondContact O-N 2.92Å; S21-G24 PolarHBondContact O-N 3.44Å; G24-V28 WeakPolarHBondContact O-CB 3.32Å; G24-V28 VanDerWaalsContact O-CG2 3.3Å; G24-V28 WeakPolarHBondContact O-CG2 3.42Å; G24-V28 PolarHBondContact O-N 3.05Å
25I88.3Confident81.1Confident114 Ų11494.5 Ų94.559%0.58552%0.523SS*.Hα-helixtrans-64.8-41.3175.9-68.8164.3000111S21 A22 I23 S29S21-I25 WeakPolarHBondContact O-CB 3.21Å; S21-I25 VanDerWaalsContact O-CG1 3.24Å; S21-I25 WeakPolarHBondContact O-CG1 3.4Å; S21-I25 PolarHBondContact O-N 2.98Å; A22-I25 PolarHBondContact O-N 2.86Å; I23-I25 PolarHBondContact O-N 2.92Å; I25-S29 VanDerWaalsContact O-CB 3.29Å; I25-S29 WeakPolarHBondContact O-CB 3.43Å; I25-S29 PolarHBondContact O-N 3.41Å; I25-S29 PolarHBondContact O-OG 3.14Å
26F86.3Confident79.9Confident145 Ų14597.4 Ų97.464%0.63653%0.534SS*.Hα-helixtrans-61.8-50.8177.1-171.4-94.6000111A22 I23 V28 S29 T30A22-F26 WeakPolarHBondContact O-CB 3.36Å; A22-F26 PolarHBondContact O-N 3.01Å; I23-F26 PolarHBondContact O-N 2.89Å; F26-V28 PolarHBondContact O-N 3.19Å; F26-S29 PolarHBondContact O-N 3.21Å; F26-T30 WeakPolarHBondContact O-CB 3.39Å; F26-T30 PolarHBondContact O-N 3.24Å; F26-T30 PolarHBondContact O-OG1 2.97Å
27L84.7Confident78.9Confident111 Ų11199.1 Ų99.158%0.58154%0.54SS*.Hα-helixtrans-59.7-45.1177.3-70.4173.1000112.5I23 S29 T30 F31I23-L27 HydrophobicContact CG2-CD1 3.96Å; I23-L27 HydrophobicContact CG2-CG 4.38Å; I23-L27 WeakPolarHBondContact O-CB 2.96Å; I23-L27 WeakPolarHBondContact O-CG 3.29Å; I23-L27 PolarHBondContact O-N 2.83Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 2.7Å; L27-T30 PolarHBondContact O-N 3.41Å; L27-F31 WeakPolarHBondContact O-CB 3.43Å; L27-F31 PolarHBondContact O-N 2.89Å
28V81Confident77.8Confident95 Ų95100.7 Ų100.758%0.57654%0.544SS*.Hα-helixtrans-64-39.4177.3168.90000111.6G24 F26 S32G24-V28 WeakPolarHBondContact O-CB 3.32Å; G24-V28 VanDerWaalsContact O-CG2 3.3Å; G24-V28 WeakPolarHBondContact O-CG2 3.42Å; G24-V28 PolarHBondContact O-N 3.05Å; F26-V28 PolarHBondContact O-N 3.19Å; V28-S32 VanDerWaalsContact O-CB 3.3Å; V28-S32 WeakPolarHBondContact O-CB 3.41Å; V28-S32 PolarHBondContact O-N 2.86Å; V28-S32 PolarHBondContact O-OG 3.17Å
29S74.3Confident76.7Confident54 Ų54101.4 Ų101.438%0.37855%0.545SS..Hα-helixtrans-67.7-46.4177.3-60.50000111.4I25 F26 L27 F31 S32 M33I25-S29 VanDerWaalsContact O-CB 3.29Å; I25-S29 WeakPolarHBondContact O-CB 3.43Å; I25-S29 PolarHBondContact O-N 3.41Å; I25-S29 PolarHBondContact O-OG 3.14Å; F26-S29 PolarHBondContact O-N 3.21Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 2.7Å; S29-F31 VanDerWaalsContact C-N 3.32Å; S29-F31 PolarHBondContact O-N 3.25Å; S29-S32 PolarHBondContact O-N 3.49Å; S29-M33 WeakPolarHBondContact O-CB 3.43Å; S29-M33 VanDerWaalsContact O-CG 3.28Å; S29-M33 WeakPolarHBondContact O-CG 3.43Å; S29-M33 PolarHBondContact O-N 2.93Å
30T77.1Confident75.8Confident71 Ų71103.2 Ų103.244%0.43655%0.548SS..Hα-helixtrans-61.5-38.9176.5-56.20000112F26 L27 K34F26-T30 WeakPolarHBondContact O-CB 3.39Å; F26-T30 PolarHBondContact O-N 3.24Å; F26-T30 PolarHBondContact O-OG1 2.97Å; L27-T30 PolarHBondContact O-N 3.41Å; T30-K34 PolarHBondContact O-N 3.27Å
31F68.9Low75.2Confident141 Ų141101 Ų10162%0.61854%0.54SS*.Hα-helixtrans-71.1-44.8177.1-153.5-84.9000111.9L27 S29 M33 K34 E35L27-F31 WeakPolarHBondContact O-CB 3.43Å; L27-F31 PolarHBondContact O-N 2.89Å; S29-F31 VanDerWaalsContact C-N 3.32Å; S29-F31 PolarHBondContact O-N 3.25Å; F31-M33 VanDerWaalsContact C-N 3.33Å; F31-M33 PolarHBondContact O-N 2.81Å; F31-K34 WeakPolarHBondContact O-CB 3.4Å; F31-K34 PolarHBondContact O-N 3.44Å; F31-E35 HydrophobicContact CE1-CG 4.49Å; F31-E35 PolarHBondContact O-N 2.95Å
32S67.7Low74.6Confident68 Ų68101.7 Ų101.748%0.47654%0.54SS..Hα-helixtrans-62.8-37.6178-57.90000112.6V28 S29 K34 E35 T36V28-S32 VanDerWaalsContact O-CB 3.3Å; V28-S32 WeakPolarHBondContact O-CB 3.41Å; V28-S32 PolarHBondContact O-N 2.86Å; V28-S32 PolarHBondContact O-OG 3.17Å; S29-S32 PolarHBondContact O-N 3.49Å; S32-K34 PolarHBondContact O-N 2.82Å; S32-E35 PolarHBondContact O-N 2.85Å; S32-T36 PolarHBondContact O-N 3.25Å; S32-T36 PolarHBondContact O-OG1 3.34Å
33M61.6Low74.1Confident137 Ų137101.5 Ų101.568%0.67554%0.539SS*.Hα-helixtrans-62.3-31173.3-75.5177.3173.800112.5S29 F31 T36 S37S29-M33 WeakPolarHBondContact O-CB 3.43Å; S29-M33 VanDerWaalsContact O-CG 3.28Å; S29-M33 WeakPolarHBondContact O-CG 3.43Å; S29-M33 PolarHBondContact O-N 2.93Å; F31-M33 VanDerWaalsContact C-N 3.33Å; F31-M33 PolarHBondContact O-N 2.81Å; M33-T36 PolarHBondContact O-OG1 2.99Å; M33-S37 PolarHBondContact O-N 2.83Å
34K56Low73.5Confident163 Ų163100.2 Ų100.271%0.70953%0.533SS*.Hα-helixtrans-74-36.7-178.5-136.2172.3-172.7176.90112.6T30 F31 S32 S37T30-K34 PolarHBondContact O-N 3.27Å; F31-K34 WeakPolarHBondContact O-CB 3.4Å; F31-K34 PolarHBondContact O-N 3.44Å; S32-K34 PolarHBondContact O-N 2.82Å; K34-S37 PolarHBondContact O-N 3.12Å
35E57.8Low72.8Confident140 Ų140103.8 Ų103.865%0.65454%0.541SS*.Hα-helixtrans-68.9-38.8176-64.9-161.9158.100112.3F31 S32 S37 Y38F31-E35 HydrophobicContact CE1-CG 4.49Å; F31-E35 PolarHBondContact O-N 2.95Å; S32-E35 PolarHBondContact O-N 2.85Å; E35-S37 VanDerWaalsContact C-N 3.27Å; E35-S37 PolarHBondContact O-N 2.96Å; E35-Y38 PolarHBondContact O-N 2.84Å
36T59.8Low72.4Confident98 Ų98106.8 Ų106.860%0.60155%0.545SS*.Hα-helixtrans-62.9-32.5173.843.10000113.2S32 M33 Y38 E40S32-T36 PolarHBondContact O-N 3.25Å; S32-T36 PolarHBondContact O-OG1 3.34Å; M33-T36 PolarHBondContact O-OG1 2.99Å; T36-Y38 VanDerWaalsContact C-N 3.31Å; T36-Y38 PolarHBondContact O-N 2.82Å; T36-E40 PolarHBondContact O-N 3.07Å
37S65.6Low72.1Confident73 Ų73106 Ų10651%0.5154%0.542SS..Hα-helixtrans-67.5-27.7-179.2-174.10000113.6M33 K34 E35 A41M33-S37 PolarHBondContact O-N 2.83Å; K34-S37 PolarHBondContact O-N 3.12Å; E35-S37 VanDerWaalsContact C-N 3.27Å; E35-S37 PolarHBondContact O-N 2.96Å; S37-A41 WeakPolarHBondContact O-CB 3.39Å; S37-A41 PolarHBondContact O-N 2.83Å
38Y66.3Low71.8Confident169 Ų169106.8 Ų106.866%0.66354%0.542SS*.Hα-helixtrans-78.7-42.9-173.8-169.6-100.1000112.5E35 T36 E40 A41 L42E35-Y38 PolarHBondContact O-N 2.84Å; T36-Y38 VanDerWaalsContact C-N 3.31Å; T36-Y38 PolarHBondContact O-N 2.82Å; Y38-E40 VanDerWaalsContact C-N 3.35Å; Y38-A41 PolarHBondContact O-N 2.91Å; Y38-L42 HydrophobicContact CD1-CD1 4.08Å; Y38-L42 HydrophobicContact CE1-CD1 3.67Å; Y38-L42 PolarHBondContact O-N 2.89Å; Y38-L42 VanDerWaalsContact O-N 3.1Å
39E67.8Low71.3Confident139 Ų139108 Ų10865%0.6554%0.543SS*.Hα-helixtrans-62.3-41170.6-92.1-71.8134.900111.4L42 A43E39-L42 PolarHBondContact O-N 3.14Å; E39-A43 WeakPolarHBondContact O-CB 3.44Å; E39-A43 PolarHBondContact O-N 2.85Å
40E72.6Confident71.2Confident125 Ų125108 Ų10858%0.58455%0.547SS*.Hα-helixtrans-68-35.1177.3-176.3160-158.300112.7T36 Y38 A43 N44T36-E40 PolarHBondContact O-N 3.07Å; Y38-E40 VanDerWaalsContact C-N 3.35Å; E40-A43 PolarHBondContact O-N 3.03Å; E40-N44 WeakPolarHBondContact O-CB 3.44Å; E40-N44 PolarHBondContact O-N 2.9Å; E40-N44 PolarHBondContact O-ND2 2.95Å
41A78Confident70.8Confident54 Ų54111.5 Ų111.545%0.44656%0.555SS.*Hα-helixtrans-62.3-46.1172.600000111.8S37 Y38 A43 N44 Q45S37-A41 WeakPolarHBondContact O-CB 3.39Å; S37-A41 PolarHBondContact O-N 2.83Å; Y38-A41 PolarHBondContact O-N 2.91Å; A41-A43 VanDerWaalsContact C-N 3.31Å; A41-A43 PolarHBondContact O-N 3.12Å; A41-N44 PolarHBondContact O-N 2.85Å; A41-Q45 PolarHBondContact O-N 2.88Å
42L77.6Confident70.5Confident54 Ų54109.6 Ų109.628%0.28356%0.555SS.*Hα-helixtrans-62.3-36.2174.1-88.8163.6000112.8Y38 E39 R46Y38-L42 HydrophobicContact CD1-CD1 4.08Å; Y38-L42 HydrophobicContact CE1-CD1 3.67Å; Y38-L42 PolarHBondContact O-N 2.89Å; Y38-L42 VanDerWaalsContact O-N 3.1Å; E39-L42 PolarHBondContact O-N 3.14Å; L42-R46 WeakPolarHBondContact O-CG 3.49Å; L42-R46 PolarHBondContact O-N 2.85Å
43A80.4Confident70Confident53 Ų53114.2 Ų114.244%0.43857%0.569SS.*Hα-helixtrans-67.9-41.5173.900000112.2E39 E40 A41 K47E39-A43 WeakPolarHBondContact O-CB 3.44Å; E39-A43 PolarHBondContact O-N 2.85Å; E40-A43 PolarHBondContact O-N 3.03Å; A41-A43 VanDerWaalsContact C-N 3.31Å; A41-A43 PolarHBondContact O-N 3.12Å; A43-K47 WeakPolarHBondContact O-CB 2.99Å; A43-K47 PolarHBondContact O-N 3.49Å; A43-K47 VanDerWaalsContact O-N 3.17Å
44N79Confident69.7Low68 Ų68114.8 Ų114.836%0.36457%0.57SS.*Hα-helixtrans-71.3-39178.8-82.1-39.2000112.7E40 A41 R46 K47 E48E40-N44 WeakPolarHBondContact O-CB 3.44Å; E40-N44 PolarHBondContact O-N 2.9Å; E40-N44 PolarHBondContact O-ND2 2.95Å; A41-N44 PolarHBondContact O-N 2.85Å; N44-R46 VanDerWaalsContact C-N 3.32Å; N44-R46 PolarHBondContact O-N 3.44Å; N44-K47 CarbonylContact O-C 3.53Å; N44-K47 WeakPolarHBondContact O-CA 3.39Å; N44-K47 WeakPolarHBondContact O-CB 3.34Å; N44-K47 PolarHBondContact O-N 2.83Å; N44-E48 WeakPolarHBondContact O-CB 3.42Å; N44-E48 PolarHBondContact O-N 2.64Å
45Q78.9Confident69.4Low107 Ų107115.5 Ų115.550%0.558%0.576SS.*Hα-helixtrans-58.4-42.8174.9-168.6-16455.200111.9A41 K47 E48 M49A41-Q45 PolarHBondContact O-N 2.88Å; Q45-K47 VanDerWaalsContact C-N 3.3Å; Q45-K47 PolarHBondContact O-N 2.76Å; Q45-E48 PolarHBondContact O-N 3.45Å; Q45-M49 HydrophobicContact CG-CE 4.29Å; Q45-M49 PolarHBondContact O-N 2.83Å
46R78.8Confident68.5Low178 Ų178118.9 Ų118.967%0.67259%0.589SS**Hα-helixtrans-64.5-34174.3-70.8173.3176.4162.82.2112.8L42 N44 A50L42-R46 WeakPolarHBondContact O-CG 3.49Å; L42-R46 PolarHBondContact O-N 2.85Å; N44-R46 VanDerWaalsContact C-N 3.32Å; N44-R46 PolarHBondContact O-N 3.44Å; R46-A50 PolarHBondContact O-N 2.89Å
47K80.5Confident67.5Low129 Ų129116.2 Ų116.256%0.56158%0.581SS**Hα-helixtrans-76.4-27178.7-166.8-177.7-177.4-174.90112.2A43 N44 Q45 K51A43-K47 WeakPolarHBondContact O-CB 2.99Å; A43-K47 PolarHBondContact O-N 3.49Å; A43-K47 VanDerWaalsContact O-N 3.17Å; N44-K47 CarbonylContact O-C 3.53Å; N44-K47 WeakPolarHBondContact O-CA 3.39Å; N44-K47 WeakPolarHBondContact O-CB 3.34Å; N44-K47 PolarHBondContact O-N 2.83Å; Q45-K47 VanDerWaalsContact C-N 3.3Å; Q45-K47 PolarHBondContact O-N 2.76Å; K47-K51 WeakPolarHBondContact O-CG 2.93Å; K47-K51 PolarHBondContact O-N 2.65Å
48E77.2Confident66.1Low127 Ų127122.1 Ų122.159%0.59360%0.6SS**Hα-helixtrans-76.5-46.2174.3-175.2163.9-129.300111.7N44 Q45 A50 K51 T52N44-E48 WeakPolarHBondContact O-CB 3.42Å; N44-E48 PolarHBondContact O-N 2.64Å; Q45-E48 PolarHBondContact O-N 3.45Å; E48-A50 PolarHBondContact O-N 3.33Å; E48-K51 WeakPolarHBondContact O-CA 3.27Å; E48-K51 WeakPolarHBondContact O-CB 3.48Å; E48-K51 PolarHBondContact O-N 2.95Å; E48-T52 PolarHBondContact O-N 3.39Å
49M71.5Confident64.6Low120 Ų120124 Ų12459%0.59161%0.611SS**Hα-helixtrans-59.8-25.9169.9-73.7-165-87.400113.1Q45 T52Q45-M49 HydrophobicContact CG-CE 4.29Å; Q45-M49 PolarHBondContact O-N 2.83Å; M49-T52 PolarHBondContact O-OG1 3.34Å
50A73.1Confident63Low55 Ų55126.8 Ų126.846%0.45562%0.621SS.*Hα-helixtrans-77.2-23.4170.900000113.8R46 E48R46-A50 PolarHBondContact O-N 2.89Å; E48-A50 PolarHBondContact O-N 3.33Å
51K68.3Low61.2Low143 Ų143129.9 Ų129.962%0.62263%0.633SS**Hα-helixtrans-81.7-39.2176.8-80177.8173.5-1740112.7K47 E48 H53 H54 Q55K47-K51 WeakPolarHBondContact O-CG 2.93Å; K47-K51 PolarHBondContact O-N 2.65Å; E48-K51 WeakPolarHBondContact O-CA 3.27Å; E48-K51 WeakPolarHBondContact O-CB 3.48Å; E48-K51 PolarHBondContact O-N 2.95Å; K51-H53 PolarHBondContact O-N 3.23Å; K51-H54 WeakPolarHBondContact O-CA 3.32Å; K51-H54 PolarHBondContact O-N 3.14Å; K51-Q55 PolarHBondContact O-N 3.25Å; K51-Q55 VanDerWaalsContact O-N 3.11Å
52T62.2Low59.2Low101 Ų101136.3 Ų136.362%0.6265%0.651SS**Hα-helixtrans-60.4-36.3178.252.60000111.5E48 M49 H54E48-T52 PolarHBondContact O-N 3.39Å; M49-T52 PolarHBondContact O-OG1 3.34Å; T52-H54 PolarHBondContact O-N 3.33Å
53H57.3Low57.1Low165 Ų165142.1 Ų142.176%0.76468%0.677SS**THydrogen-bonded Turntrans-69.5-16.6173.2-155.9-57.9000113.9K51K51-H53 PolarHBondContact O-N 3.23Å
54H54.1Low55Low150 Ų150148.4 Ų148.469%0.69469%0.694SS**THydrogen-bonded Turntrans-99.3-20.5179.5-99-69.7000114.7K51 T52 K56 G57K51-H54 WeakPolarHBondContact O-CA 3.32Å; K51-H54 PolarHBondContact O-N 3.14Å; T52-H54 PolarHBondContact O-N 3.33Å; H54-K56 PolarHBondContact O-N 3.38Å; H54-K56 VanDerWaalsContact O-N 3.14Å; H54-G57 PolarHBondContact O-N 3.01Å
55Q50.2Low52.7Low178 Ų178151.1 Ų151.183%0.83271%0.713SS**THydrogen-bonded Turntrans-68.9-6.9177.5-91.7-1651.400114.9K51 G57K51-Q55 PolarHBondContact O-N 3.25Å; K51-Q55 VanDerWaalsContact O-N 3.11Å; Q55-G57 PolarHBondContact O-N 2.84Å
56K40.2Very low50.8Low211 Ų211151.9 Ų151.992%0.91773%0.725SS**THydrogen-bonded Turntrans-76.84.6166.3-148.6173.4-176.7177.60113.2H54H54-K56 PolarHBondContact O-N 3.38Å; H54-K56 VanDerWaalsContact O-N 3.14Å
57G38.1Very low48.7Very low42 Ų42151.7 Ų151.743%0.43373%0.732SS.*SBendtrans-121.9133171.500000113H54 Q55H54-G57 PolarHBondContact O-N 3.01Å; Q55-G57 PolarHBondContact O-N 2.84Å
58E35.2Very low46.5Very low196 Ų196153.7 Ų153.792%0.91674%0.74SS**  trans62.567.1153.5-54.2-166.4100.100118.9K60E58-K60 VanDerWaalsContact C-N 3.32Å; E58-K60 PolarHBondContact O-N 3.18Å
59K34.8Very low44.1Very low208 Ų208157.4 Ų157.490%0.90476%0.755SS**  trans-57.594.5141.6-82.4-177174.7177.50109.7
60K35.4Very low42.2Very low198 Ų198155.2 Ų155.286%0.86176%0.762SS**  trans-169.9116.3146.9-106.1151.3-171.5176.30115.7E58E58-K60 VanDerWaalsContact C-N 3.32Å; E58-K60 PolarHBondContact O-N 3.18Å
61K34.5Very low40.2Very low190 Ų190162 Ų16283%0.82678%0.782SS**  trans91117.6133.4-147.4166-171.7175.20119.3
62K35.7Very low38.8Very low190 Ų190161.9 Ų161.983%0.82679%0.793SS**  trans75.772.6158.4-73.6-176.3171.1-172.50120.2
63E34.1Very low37.4Very low176 Ų176166.1 Ų166.182%0.82280%0.803SS**  -65.3137126.9-124.7156173.100107.6
64K35.4Very low36.2Very low185 Ų185165.8 Ų165.880%0.80480%0.799SS**  55.798.359.6-70.6-172.8179.1-176.10110.8
65T32.2Very low35.4Very low125 Ų125167.6 Ų167.677%0.76781%0.805SS**  cis78.999.922.9-35.80000114.8
66V37.7Very low34.7Very low123 Ų123166.2 Ų166.275%0.74580%0.799SS**  trans71.6106.8154.4178.90000118.7
67E34.5Very low34.6Very low173 Ų173164.5 Ų164.581%0.80879%0.794SS**  -118.3122.1123.1-67.1-145.197.700107.7
68K34.2Very low34.4Very low171 Ų171172 Ų17274%0.74382%0.815SS**  50.9101103.1-67.1179.4178172.90113.1
69K27.8Very low34.7Very low206 Ų206168.1 Ų168.190%0.89681%0.806SS**  cis73.191.441.4-162-172-178.6178.80113.7
70G30.8Very low34.6Very low73 Ų73165 Ų16575%0.75380%0.799SS**  trans14790.616900000111.1
71K31.9Very low34.6Very low199 Ų199159.3 Ų159.387%0.86580%0.797SS**  97.781.352.1-82.4-163.4167.6-169.80113.7
72T37.7Very low34.6Very low140 Ų140158.5 Ų158.586%0.85979%0.794SS**  trans-162.6124.4141.59.50000104.2
73K33Very low34.5Very low189 Ų189155.7 Ų155.782%0.82279%0.786SS**  cis56.9127.333.3-91.3-163.2175.1-169.60112.2
74K33.4Very low34.7Very low158 Ų158153 Ų15369%0.68778%0.784SS**  cis-162127.9-1.5-169.6-160.8-176.8-150.50110.5E76K74-E76 WeakPolarHBondContact CE-OE2 3.28Å; K74-E76 IonicContact NZ-OE2 2.63Å; K74-E76 PolarHBondContact NZ-OE2 3.04Å; K74-E76 VanDerWaalsContact NZ-OE2 3.1Å
75K36.6Very low34.5Very low189 Ų189153 Ų15382%0.82279%0.787SS**  trans-154.2147.2141.2-154.4-176178.2-160.90108.3
76E35.8Very low34.7Very low149 Ų149155.2 Ų155.270%0.69679%0.788SS**  trans-107.3135.2178.8-70.2156.785.600108.5K74K74-E76 WeakPolarHBondContact CE-OE2 3.28Å; K74-E76 IonicContact NZ-OE2 2.63Å; K74-E76 PolarHBondContact NZ-OE2 3.04Å; K74-E76 VanDerWaalsContact NZ-OE2 3.1Å
77E37.9Very low34.3Very low175 Ų175156 Ų15682%0.81879%0.788SS**  trans-148.7129.1160.8-152166.5137.300109.1
78K34Very low34.5Very low200 Ų200155.9 Ų155.987%0.8779%0.792SS**  trans-161.3154.6-176.8-80.5-170.5179.3-179.70106.4
79P41.4Very low34.4Very low114 Ų114154.8 Ų154.874%0.7480%0.795SS**  cis-134.3150.719.739.9-23.2000117.2
80N33Very low34.5Very low141 Ų141151.3 Ų151.375%0.75479%0.793SS**  trans36.195.6130.9-171.268.1000119.5
81G36.2Very low34.5Very low79 Ų79154.1 Ų154.181%0.81479%0.791SS**  trans-118.1145.9152.100000110.1
82K33.5Very low34.6Very low173 Ų173151 Ų15175%0.75279%0.788SS**  trans-111.6142.5-179-80.6-174.5176-177.80111.8
83I33.1Very low34.3Very low131 Ų131149.6 Ų149.667%0.67278%0.78SS**  trans27.9113139.4-40167.4000115.2E85I83-E85 HydrophobicContact CG2-CG 4.06Å
84P39.2Very low34.6Very low121 Ų121148 Ų14879%0.78678%0.779SS**  -103.7137102.7-20.735000113.8
85E30.3Very low34.6Very low184 Ų184147.1 Ų147.186%0.8678%0.78SS**  trans-79141.7148.3-67.3175.115000106.3I83I83-E85 HydrophobicContact CG2-CG 4.06Å
86H36.9Very low34.2Very low171 Ų171145.1 Ų145.179%0.79278%0.778SS**  trans-139.3127.2175.4-158.1-64.9000108.6
87D29.8Very low34Very low140 Ų140147.2 Ų147.275%0.74978%0.784SS**  trans-60.1149.9174.6-65.9-85.4000111.3
88L37.5Very low33.6Very low170 Ų170147.2 Ų147.289%0.8978%0.784SS**  trans-125.4118.9168.6-73.2176.3000108.2
89D32.7Very low33.8Very low149 Ų149143.7 Ų143.780%0.79778%0.782SS**  trans-66.9147.3-164.7-70.7-80.1000115.5N91D89-N91 PolarHBondContact O-N 2.82Å; D89-N91 VanDerWaalsContact O-N 3.12Å
90P30.1Very low33.3Very low133 Ų133144.9 Ų144.986%0.86479%0.787SS**  trans-84.980.5-179.235.1-36000112.4
91N31Very low33Very low131 Ų131149.4 Ų149.470%0.70179%0.793SS**  trans-147.385.3168-160.2-1.9000115.7D89D89-N91 PolarHBondContact O-N 2.82Å; D89-N91 VanDerWaalsContact O-N 3.12Å
92V34Very low32.9Very low134 Ų134152.5 Ų152.581%0.81280%0.796SS**  trans-132.8104.9155.2-178.50000109.1I94V92-I94 PolarHBondContact O-N 2.97Å
93T30.4Very low32.7Very low110 Ų110149.7 Ų149.768%0.67580%0.798SS**  trans-67.4115.4176.2-50.60000111I95T93-I95 HydrophobicContact CG2-CG1 4.33Å
94I39.3Very low32.5Very low157 Ų157147.8 Ų147.881%0.80580%0.802SS**  trans-98.3115165-63.2-176.3000108.5V92 L96V92-I94 PolarHBondContact O-N 2.97Å; I94-L96 PolarHBondContact O-N 3.13Å
95I34Very low32.3Very low139 Ų139148.4 Ų148.471%0.71380%0.803SS**  trans-73.1124-169.9-62.6175.3000111T93T93-I95 HydrophobicContact CG2-CG1 4.33Å
96L27.6Very low32.3Very low147 Ų147144.5 Ų144.577%0.7780%0.803SS**  trans-74.7129.2171.3-163.9163.2000109.3I94 E98I94-L96 PolarHBondContact O-N 3.13Å; L96-E98 HydrophobicContact CD2-CG 4.43Å
97K32.1Very low32.1Very low193 Ų193142.9 Ų142.984%0.83980%0.804SS**  trans-122.4133.6170.5-107176.9174.9175.30110.5
98E29.3Very low32.2Very low174 Ų174140.5 Ų140.581%0.81380%0.804SS**PPolyproline II helixtrans-81141.8-160.5-61.5171.8100.600114.3L96L96-E98 HydrophobicContact CD2-CG 4.43Å
99P38.4Very low32.1Very low126 Ų126137.6 Ų137.682%0.81880%0.795SS**PPolyproline II helixtrans-77.5139.9165.7-11.528.4000112.2
100V31.9Very low32.2Very low140 Ų140137.2 Ų137.285%0.84880%0.799SS**PPolyproline II helixtrans-79.7141-177.11790000113
101R25.7Very low32.2Very low236 Ų236135.8 Ų135.889%0.89179%0.792SS**PPolyproline II helixtrans-52.9147.1-178-43.7171.5-168.8-161.70.4114.3
102V34.1Very low32.4Very low143 Ų143135.4 Ų135.487%0.86779%0.794SS**  trans-150129.9146.3-106.90000113
103S29.3Very low32.4Very low114 Ų114137.1 Ų137.180%0.79779%0.793SS**  trans31.3122.2161.8-1510000121.3
104A28.6Very low32.6Very low92 Ų92137.7 Ų137.776%0.7680%0.801SS**  trans-73.8155.115900000112.1
105V35.3Very low32.4Very low133 Ų133135.9 Ų135.981%0.80680%0.802SS**  trans-136.6109160.4-1800000107.5
106A31Very low32.9Very low103 Ų103134.3 Ų134.385%0.85180%0.799SS**  trans-94.2116.7-176.600000111.5
107V32.8Very low33.4Very low136 Ų136128 Ų12882%0.82477%0.77SS**  trans-139.4126.4165.6-176.30000108.9
108A31.7Very low33.8Very low91 Ų91121.1 Ų121.175%0.75274%0.741SS**  trans-120.6172.3-175.300000110.2
109P34.6Very low34.3Very low108 Ų108112.9 Ų112.970%0.70170%0.702SS**  -127.9-170.1-126.135.1-15.5000116.1
110T34.5Very low34.6Very low141 Ų141106.9 Ų106.987%0.86566%0.663SS**  trans73.9165.5170.776.60000115.8
111S31.5Very low35.2Very low103 Ų103100.6 Ų100.672%0.7263%0.625SS**  cis-167.9178.7-41.8-160.60000107.1
112V34.5Very low35.9Very low123 Ų12390.7 Ų90.775%0.74559%0.593SS**  cis-148.6166.38.8-145.80000111
113H34.6Very low36.2Very low171 Ų17189.7 Ų89.779%0.79259%0.588SS**  trans8.3134.2149.7-89.6-133.9000123.7
114S33.4Very low36.6Very low121 Ų12189.5 Ų89.585%0.84658%0.582SS**  177.1177.3106-80.20000114.5
115S36.5Very low37Very low119 Ų11991.1 Ų91.183%0.83258%0.584SS**  trans-146.6-161.8-162.4-168.90000114.6
116V42.7Very low37Very low107 Ų10788.8 Ų88.865%0.64858%0.579SS**  trans89.6145.3-175.2-173.90000113.5H118 Q707V116-H118 WeakPolarHBondContact CG1-NE2 3.18Å; V116-Q707 PolarHBondContact O-NE2 3.27Å
117G38.6Very low37.1Very low15 Ų1591.2 Ų91.216%0.15557%0.574CS.*  cis166165.26.500000106.4G705 Q707G117-G705 CarbonylContact C-O 3.54Å; G117-G705 VanDerWaalsContact C-O 3.29Å; G117-G705 CarbonylContact O-C 3.44Å; G117-G705 WeakPolarHBondContact O-CA 3.35Å; G117-Q707 PolarHBondContact O-NE2 3.33Å
118H40Very low37.1Very low48 Ų4890.9 Ų90.922%0.22258%0.575CS.*  cis178.6-139.847.6-38.2115.6000113.6V116 E684 G685 A686 E704 G705 D724V116-H118 WeakPolarHBondContact CG1-NE2 3.18Å; H118-E684 CarbonylContact O-C 3.55Å; H118-G685 VanDerWaalsContact CA-N 3.31Å; H118-G685 CarbonylContact O-C 3.56Å; H118-G685 WeakPolarHBondContact O-CA 3Å; H118-G685 PolarHBondContact O-N 2.85Å; H118-A686 PolarHBondContact O-N 3.39Å; H118-E704 CarbonylContact C-O 3.54Å; H118-E704 VanDerWaalsContact C-O 3.29Å; H118-E704 HydrophobicContact CB-CB 3.31Å; H118-E704 HydrophobicContact CB-CG 4.46Å; H118-E704 WeakPolarHBondContact ND1-CB 3.37Å; H118-G705 PolarHBondContact N-O 2.9Å; H118-G705 VanDerWaalsContact ND1-CA 3.34Å; H118-G705 WeakPolarHBondContact ND1-CA 3.42Å; H118-G705 PolarHBondContact ND1-N 2.69Å; H118-D724 PolarHBondContact ND1-O 2.95Å
119T41.4Very low37Very low0 Ų094.5 Ų94.50%058%0.577CS.*  -80.5-110-119.875.90000129.4N678 G683 E684 N698 K702 A703 E704T119-N678 WeakPolarHBondContact O-CB 3.22Å; T119-N678 PolarHBondContact O-ND2 3.45Å; T119-G683 VanDerWaalsContact CB-CA 3.45Å; T119-G683 WeakPolarHBondContact CB-O 3.05Å; T119-G683 WeakPolarHBondContact CG2-O 3.33Å; T119-E684 HydrophobicContact CG2-CB 4.46Å; T119-E684 HydrophobicContact CG2-CG 4.08Å; T119-E684 PolarHBondContact O-N 3.34Å; T119-E684 VanDerWaalsContact O-O 3.1Å; T119-N698 VanDerWaalsContact C-OD1 3.3Å; T119-N698 PolarHBondContact N-ND2 2.96Å; T119-N698 PolarHBondContact O-OD1 2.86Å; T119-K702 PolarHBondContact OG1-O 3.05Å; T119-A703 WeakPolarHBondContact OG1-CA 3.34Å; T119-E704 HydrophobicContact CG2-CB 4.06Å; T119-E704 HydrophobicContact CG2-CG 4.4Å; T119-E704 WeakPolarHBondContact CG2-OE2 2.99Å; T119-E704 PolarHBondContact N-O 2.84Å; T119-E704 PolarHBondContact OG1-N 3.25Å
120P44.5Very low36.9Very low0 Ų096.7 Ų96.70%058%0.578CS.*  -151.5-165.3-113.854.3-40.2000125.8N678 G680 N698 Q699 K702 A703P120-N678 CarbonylContact C-O 3.57Å; P120-N678 VanDerWaalsContact C-O 3.32Å; P120-N678 CarbonylContact O-C 3.53Å; P120-G680 WeakPolarHBondContact CB-O 3.38Å; P120-N698 VanDerWaalsContact CD-CB 3.41Å; P120-N698 WeakPolarHBondContact CD-ND2 3.48Å; P120-N698 CarbonylContact O-C 3.31Å; P120-Q699 PolarHBondContact O-N 2.93Å; P120-K702 WeakPolarHBondContact CG-O 3.39Å; P120-A703 VanDerWaalsContact CG-CA 3.45Å; P120-A703 HydrophobicContact CG-CB 3.58Å
121I43.7Very low36.7Very low8 Ų898.3 Ų98.34%0.04157%0.573CS.*  trans88.4124.3142.8-64.8131.3000128.5Q679 G680 K681 Q699 G700 K701 K702I121-Q679 CarbonylContact C-O 3.59Å; I121-Q679 VanDerWaalsContact C-O 3.28Å; I121-Q679 VanDerWaalsContact N-C 3.31Å; I121-Q679 VanDerWaalsContact N-CA 3.34Å; I121-Q679 VanDerWaalsContact O-CA 3.27Å; I121-Q679 WeakPolarHBondContact O-CA 3.27Å; I121-Q679 WeakPolarHBondContact O-CG 3.28Å; I121-G680 VanDerWaalsContact CA-C 3.44Å; I121-G680 VanDerWaalsContact CA-N 3.31Å; I121-G680 VanDerWaalsContact CA-O 3.28Å; I121-G680 WeakPolarHBondContact CA-O 3.37Å; I121-G680 WeakPolarHBondContact CG1-O 3.29Å; I121-G680 PolarHBondContact N-O 3Å; I121-K681 WeakPolarHBondContact CD1-O 3.4Å; I121-K681 VanDerWaalsContact CG1-CA 3.41Å; I121-K681 WeakPolarHBondContact CG1-O 3.38Å; I121-Q699 VanDerWaalsContact CB-O 3.25Å; I121-Q699 WeakPolarHBondContact CB-O 2.98Å; I121-Q699 WeakPolarHBondContact CG2-O 3.27Å; I121-G700 WeakPolarHBondContact CD1-O 3.47Å; I121-G700 VanDerWaalsContact CG2-CA 3.42Å; I121-K701 HydrophobicContact CD1-CB 4.02Å; I121-K701 HydrophobicContact CG1-CB 4.44Å; I121-K702 WeakPolarHBondContact CD1-O 3.44Å
122A40.3Very low36.7Very low28 Ų28102.1 Ų102.123%0.23158%0.584CS.*  trans78154154.100000119.2Q679A122-Q679 CarbonylContact C-O 3.57Å; A122-Q679 VanDerWaalsContact N-C 3.28Å; A122-Q679 PolarHBondContact N-O 2.93Å; A122-Q679 WeakPolarHBondContact O-CB 3.4Å
123T41.2Very low36.7Very low122 Ų122101.3 Ų101.375%0.74859%0.59SS**  cis-150123.826.3-590000109.2
124V38.1Very low36.5Very low111 Ų11198.6 Ų98.667%0.67359%0.591SS**  56.3144.5102.3-176.30000114.6
125P37.1Very low36.2Very low126 Ų12698.7 Ų98.782%0.81859%0.591SS**  cis-104.5-1102.615.310.2000114.3
126A34.8Very low36.3Very low84 Ų8498.8 Ų98.869%0.69459%0.589SS**  cis-159.5157.7-14.400000111.4
127M33.1Very low35.9Very low153 Ų153103.6 Ų103.675%0.75460%0.601SS**  trans-158.8155.8168.8-74.1-173.35900111.1Q129M127-Q129 HydrophobicContact CE-CG 3.98Å
128P32.8Very low35.7Very low129 Ų129110 Ų11084%0.83863%0.632SS**  -137.7-170.211028.5-9.5000114.2
129Q28.7Very low35.5Very low168 Ų168119.8 Ų119.879%0.78567%0.667SS**  trans-128.7151.9-174.2-68164.1-127.800111.6M127M127-Q129 HydrophobicContact CE-CG 3.98Å
130E32.9Very low35Very low154 Ų154129.3 Ų129.372%0.7271%0.708SS**  trans-149.2149.1155-96.5-144.6111.400115.1
131K30.6Very low34.2Very low175 Ų175138.8 Ų138.876%0.76175%0.749SS**  trans42.3122.8154.3-70.4169.2177.6138.40121.8
132L30.3Very low33.8Very low182 Ų182147.5 Ų147.595%0.95379%0.787SS**  trans-108.8151.7149.7-74166.7000108.3
133A35.2Very low33.4Very low107 Ų107154.1 Ų154.188%0.88481%0.813SS**  trans-137.5153.8173.100000110.7
134S31.1Very low33.3Very low114 Ų114157.5 Ų157.580%0.79782%0.817SS**  trans-117.2150.5-170.751.50000112.8
135S27.6Very low33Very low122 Ų122160.9 Ų160.985%0.85382%0.823SS**  trans-169.2109165.8-83.80000111.4
136P37.9Very low32.8Very low121 Ų121161.6 Ų161.679%0.78683%0.825SS**  trans-78.6154162.8-7.626000110.8
137K34.2Very low32.7Very low208 Ų208161.7 Ų161.790%0.90483%0.826SS**  trans-155.5101169.5-140.2163.7-167.7164.70112.8
138D33.4Very low33Very low151 Ų151164.2 Ų164.281%0.80783%0.832SS**  trans-67.5145.2173.1-81-83.2000113.1
139R36.1Very low32.8Very low253 Ų253163.6 Ų163.696%0.95583%0.826SS**  trans-140.5115.1156.1-79.7-162.2164-169.5-5.2110.5
140K31.7Very low33Very low200 Ų200164.1 Ų164.187%0.8783%0.829SS**  trans-113.9156.7-177.4-168.4-179.9179.71760109.9
141K28.4Very low33.1Very low199 Ų199162.6 Ų162.687%0.86583%0.832SS**  trans63.1106.5159.8-167.1179.6-173.1179.40117.8
142K34.7Very low33.3Very low190 Ų190159.3 Ų159.383%0.82684%0.837SS**  -15693.1129.6-148.2164.6-169169.50112.4
143E31.9Very low33.3Very low168 Ų168156.8 Ų156.879%0.78583%0.829SS**  trans-73.7148.7152.4-82.7-177.384.400109.7
144K39Very low33.1Very low192 Ų192157.6 Ų157.684%0.83583%0.828SS**  trans-143106.7149.8-95.7-158.8168.9-165.30108.6
145K30.7Very low33.1Very low182 Ų182157 Ų15779%0.79183%0.825SS**  trans-73.2152147.2-68.6-179.7-179.4176.20108.3
146V34.2Very low33.4Very low141 Ų141159.1 Ų159.186%0.85582%0.824SS**  trans174.4132.2135.2147.90000105.9
147A33.2Very low33Very low87 Ų87159.7 Ų159.772%0.71983%0.825SS**  trans-86.8152.4171.300000109.8
148K39.3Very low33Very low205 Ų205156 Ų15689%0.89182%0.815SS**  trans-120.4134.9154.9-175.7159.4-178.7169.40108.4
149V27.2Very low32.9Very low116 Ų116153.8 Ų153.870%0.70381%0.812SS**  trans-108.4176.9-177.4176.80000108.1
150E33.1Very low32.9Very low180 Ų180149 Ų14984%0.84180%0.804SS**  trans91.2117.7168.2-53.8-164.1150.100117.8
151P35.7Very low32.7Very low122 Ų122147.8 Ų147.879%0.79280%0.801SS**PPolyproline II helixtrans-96.2134158.635.4-26.9000111
152A34.7Very low32.7Very low105 Ų105144.3 Ų144.387%0.86880%0.796SS**PPolyproline II helixtrans-80.8142.9172.200000111.6
153V29.7Very low32.7Very low129 Ų129143.5 Ų143.578%0.78280%0.8SS**PPolyproline II helixtrans-100.6142.3175.6177.60000109.5
154S31.2Very low32.7Very low124 Ų124139.8 Ų139.887%0.86780%0.798SS**  trans-150.7119.5167.3-63.80000109.7
155S32.2Very low32.6Very low103 Ų103136.7 Ų136.772%0.7280%0.801SS**  trans-135.7119178.655.20000109.3
156I33.2Very low32.8Very low165 Ų165137.7 Ų137.785%0.84681%0.805SS**  trans-127.7118.9170.9-64.3172.9000107.3
157V30.1Very low32.8Very low133 Ų133136.9 Ų136.981%0.80681%0.806SS**  trans-95134.9165.5174.90000106.5
158N33Very low32.7Very low131 Ų131136.8 Ų136.870%0.70181%0.805SS**  trans-121.1127.8176.5-164.2-3.3000109.3
159S31Very low32.5Very low105 Ų105134.5 Ų134.573%0.73480%0.801SS**  trans-134.1124.8179.9-69.50000108.7
160I36.4Very low32.7Very low152 Ų152136.1 Ų136.178%0.77980%0.804SS**  trans-128.2142.9178.4-63.4-178.5000108.2
161Q28.8Very low32.7Very low174 Ų174136 Ų13681%0.81380%0.804SS**  trans-112.1-177.5-173.1-58.6-17724.200112
162V28Very low32.8Very low127 Ų127134 Ų13477%0.7780%0.798SS**  trans75.6127159.8-176.50000117.3
163L34.7Very low32.9Very low173 Ų173135.8 Ų135.891%0.90680%0.798SS**  trans-169153.9131.6-101.7170.7000109.9
164A31.8Very low33.3Very low89 Ų89135.2 Ų135.274%0.73680%0.797SS**  trans-143.1162.2-173.300000112.6
165S36.3Very low33.5Very low128 Ų128138.9 Ų138.990%0.89580%0.797SS**  trans-161.8170.7177.7-80.60000113.3
166K35Very low33.4Very low203 Ų203142.3 Ų142.388%0.88380%0.802SS**  trans-122.9174.8-160.5-57178.8177.8-179.60115.2
167S33.8Very low33.5Very low124 Ų124140.3 Ų140.387%0.86780%0.797SS**  trans80.8156.8159.475.60000120.3
168A32.7Very low33.8Very low85 Ų85139.1 Ų139.170%0.70279%0.792SS**  cis-175.5-179.9-3000000112.3
169I34.1Very low33.7Very low156 Ų156141.6 Ų141.680%0.880%0.802SS**  trans86.3120.9152.7-71.5168000122.1
170L32.1Very low33.7Very low150 Ų150143 Ų14379%0.78581%0.806SS**  trans61.8135.5148-69.9172000128
171E32.1Very low33.4Very low177 Ų177140.3 Ų140.383%0.82781%0.806SS**  trans83.7141.1138-90.4179.8133.100128.4
172A37.8Very low33.3Very low80 Ų80138.8 Ų138.866%0.66181%0.808SS**  trans79.678.1147.900000124.9
173T36.3Very low34Very low144 Ų144138 Ų13888%0.88381%0.806SS**  trans59.2157130.349.30000124.5
174P37.9Very low33.9Very low117 Ų117135.1 Ų135.176%0.7680%0.797SS**  trans-130.4171.3-15543.7-28.8000118.4
175K35.6Very low33.8Very low200 Ų200138.1 Ų138.187%0.8781%0.806SS**  trans-172.3154.4136.2-109.5173.4-177.1-177.50114.6
176E31.5Very low33.6Very low175 Ų175135.8 Ų135.882%0.81880%0.802SS**  trans65.9153.8170.3-72.8-59.7100.700120.6
177V34.2Very low33.5Very low123 Ų123131.7 Ų131.775%0.74580%0.799SS**  trans-140.3-170.1-152.4-133.90000112.5
178P36.8Very low33.4Very low108 Ų108135.7 Ų135.770%0.70180%0.801SS**  -122.8158.7-120.641.8-25.5000117.3
179M30.5Very low33.3Very low184 Ų184136.3 Ų136.391%0.90681%0.806SS**  trans-144110151-94.7-153.2168.500114.2
180V30.6Very low33Very low135 Ų135134 Ų13482%0.81880%0.804SS**  trans63.4144.5139.7-168.60000120.1
181A31.8Very low33.4Very low95 Ų95132.1 Ų132.179%0.78580%0.804SS**  trans85.590.3170.600000118
182V26Very low33.8Very low141 Ų141129.1 Ų129.186%0.85580%0.799SS**  trans-58.9142-179.5177.80000115
183P41.6Very low34.1Very low111 Ų111127.7 Ų127.772%0.72179%0.788SS**  trans-92.8174.1177.138.9-38.2000114
184P34.3Very low35Very low112 Ų112124 Ų12473%0.72777%0.765SS**  trans-149.8151.6132.537.2-20.5000118.4
185V28.8Very low35.7Very low152 Ų152122.2 Ų122.292%0.92176%0.756SS**  trans60.2138.3149.9-60.20000123.8
186G32.8Very low36.9Very low79 Ų79114.2 Ų114.281%0.81472%0.724SS**  trans16381.715700000116.7
187S32.3Very low38Very low117 Ų117113.4 Ų113.482%0.81872%0.721SS**  trans-119.4139.3-176.2-600000115
188K31.4Very low38.8Very low208 Ų208109.1 Ų109.190%0.90470%0.701SS**  trans70.3150.2165.9-59.8-161.2179.5-172.30120.2
189A30.9Very low39.5Very low98 Ų98112.3 Ų112.381%0.8170%0.704SS**  trans64.772.7144.700000120.9
190S28Very low40.2Very low108 Ų108112.8 Ų112.876%0.75570%0.701SS**  -164.5147.8123.742.50000110
191S39.7Very low41Very low111 Ų111108.6 Ų108.678%0.77669%0.685SS**  trans-62.3126.7171.255.90000108.2A193S191-A193 PolarHBondContact O-N 2.98Å; S191-A193 VanDerWaalsContact O-N 3.08Å
192P40.5Very low42.1Very low113 Ų113113.4 Ų113.473%0.73469%0.691SS**  trans-59.4116.4-154.119.5-32.9000112.2T194P192-T194 PolarHBondContact O-N 2.94Å
193A44.9Very low43.6Very low51 Ų51108.4 Ų108.442%0.42167%0.669SS.*  trans-57.7107.4162.700000107.2S191 S195S191-A193 PolarHBondContact O-N 2.98Å; S191-A193 VanDerWaalsContact O-N 3.08Å; A193-S195 VanDerWaalsContact C-N 3.27Å; A193-S195 PolarHBondContact O-N 2.86Å
194T54.7Low44.7Very low65 Ų65104.7 Ų104.740%0.39965%0.647SS.*  trans-68.989.2-17556.60000108.6P192 Q215P192-T194 PolarHBondContact O-N 2.94Å; T194-Q215 PolarHBondContact O-N 2.83Å; T194-Q215 VanDerWaalsContact O-N 3.07Å
195S53.7Low46.4Very low81 Ų81104.1 Ų104.157%0.56664%0.635SS**EExtended strand (participates in β ladder)trans-103.1126.4-179.167.10000110A193 Q215A193-S195 VanDerWaalsContact C-N 3.27Å; A193-S195 PolarHBondContact O-N 2.86Å; S195-Q215 CarbonylContact C-O 3.59Å; S195-Q215 WeakPolarHBondContact CA-O 3.47Å
196S59.4Low48.4Very low31 Ų3198.2 Ų98.222%0.21760%0.598CS.*EExtended strand (participates in β ladder)trans-115.8131.5177.376.20000110.3A204 Q215 N216 Q217S196-A204 VanDerWaalsContact OG-CB 3.26Å; S196-A204 WeakPolarHBondContact OG-CB 3.38Å; S196-Q215 PolarHBondContact N-O 2.81Å; S196-N216 PolarHBondContact OG-OD1 2.63Å; S196-Q217 PolarHBondContact O-N 2.88Å
197Q56.1Low50.1Low159 Ų159100.8 Ų100.874%0.74359%0.589SS**EExtended strand (participates in β ladder)trans-121.685.8179.5-67.5-159.116.200111.9Q217Q197-Q217 WeakPolarHBondContact CA-O 3.32Å
198G51Low51.7Low32 Ų3297 Ų9733%0.3357%0.565SS.*EExtended strand (participates in β ladder)trans-82.4118.1179.500000113.4Q217G198-Q217 PolarHBondContact N-O 3.44Å
199K51.1Low53.2Low175 Ų17595.4 Ų95.476%0.76156%0.558SS**SBendtrans-71.4-44.7167.1-72.8-180-176.9170.40111.2
200K43.6Very low54.4Low194 Ų19499.2 Ų99.284%0.84356%0.557SS**SBendtrans-146.2132.7163.3-65.1176.6-177.4174.30105.2
201G49.3Very low55.7Low47 Ų4795.7 Ų95.749%0.48554%0.537SS..  trans-176.8146.217900000111.9
202Q53.8Low56.5Low196 Ų19697.4 Ų97.492%0.91653%0.533SS*.SBendtrans-71163.3172.7-66.8167-6.700110.1A204Q202-A204 PolarHBondContact O-N 2.85Å
203G56.9Low57.4Low37 Ų3793.1 Ų93.138%0.38151%0.509SS..  trans-45.4107.6-164.600000115.9Q205 E222 G223G203-Q205 PolarHBondContact O-N 3.49Å; G203-E222 WeakPolarHBondContact CA-O 3.36Å; G203-E222 PolarHBondContact N-O 2.82Å; G203-G223 WeakPolarHBondContact CA-O 3.32Å
204A65.4Low58.6Low33 Ų3391.5 Ų91.527%0.27350%0.495SS..  trans-62122.2171.200000109.8S196 Q202 Q225S196-A204 VanDerWaalsContact OG-CB 3.26Å; S196-A204 WeakPolarHBondContact OG-CB 3.38Å; Q202-A204 PolarHBondContact O-N 2.85Å; A204-Q225 PolarHBondContact O-N 2.76Å
205Q69.6Low59.4Low100 Ų10091.5 Ų91.547%0.46749%0.491SS..EExtended strand (participates in β ladder)trans-118.1107.1-175.5-172.8-177.564.900111.1G203 Q207 Q225G203-Q205 PolarHBondContact O-N 3.49Å; Q205-Q207 HydrophobicContact CG-CG 4.23Å; Q205-Q207 VanDerWaalsContact OE1-NE2 3.12Å; Q205-Q225 CarbonylContact C-O 3.55Å; Q205-Q225 VanDerWaalsContact CA-O 3.27Å; Q205-Q225 WeakPolarHBondContact CA-O 3.02Å; Q205-Q225 HydrophobicContact CB-CB 4.42Å; Q205-Q225 HydrophobicContact CG-CB 4.03Å
206N70.4Confident60.2Low28 Ų2887.9 Ų87.915%0.1547%0.465CS..EExtended strand (participates in β ladder)trans-95.2127.2173.7-56.8-50.7000110A214 N216 Q225 N226 Q227N206-A214 HydrophobicContact CB-CB 4.43Å; N206-N216 PolarHBondContact ND2-ND2 2.85Å; N206-N216 PolarHBondContact ND2-OD1 3.49Å; N206-Q225 PolarHBondContact N-O 3.01Å; N206-N226 WeakPolarHBondContact CB-OD1 3.36Å; N206-N226 PolarHBondContact ND2-OD1 2.89Å; N206-N226 WeakPolarHBondContact O-CA 3.38Å; N206-Q227 PolarHBondContact O-N 2.83Å
207Q70.5Confident60.8Low132 Ų13290 Ų9062%0.61747%0.471SS*.EExtended strand (participates in β ladder)trans-122.4125.6175-57.7-163.332.200111.3Q205 Q227Q205-Q207 HydrophobicContact CG-CG 4.23Å; Q205-Q207 VanDerWaalsContact OE1-NE2 3.12Å; Q207-Q227 WeakPolarHBondContact CA-O 3.31Å; Q207-Q227 HydrophobicContact CG-CB 4.39Å
208A65.6Low61.2Low39 Ų3983.4 Ų83.432%0.32245%0.446SS..EExtended strand (participates in β ladder)trans-137.5140.6-173.300000114.6Q227 A228 K229A208-Q227 PolarHBondContact N-O 2.92Å; A208-A228 WeakPolarHBondContact O-CA 3.29Å; A208-K229 PolarHBondContact O-N 3.34Å; A208-K229 VanDerWaalsContact O-N 3.14Å
209K61.4Low61.8Low174 Ų17488 Ų8876%0.75746%0.457SS*.EExtended strand (participates in β ladder)trans-76.9-48.8172.7-67177.7-174.6171.30111K229 K230K209-K229 WeakPolarHBondContact O-CB 3.43Å; K209-K230 PolarHBondContact O-N 3.23Å
210K56.4Low62.1Low178 Ų17886.1 Ų86.177%0.77445%0.449SS*.EExtended strand (participates in β ladder)trans-128147.6158.8-74.7-179.4178.4177.70106.4K230K210-K230 WeakPolarHBondContact CA-O 3.43Å
211G54.9Low62.7Low33 Ų3378 Ų7834%0.3442%0.421SS..EExtended strand (participates in β ladder)trans-172.2137.6172.700000112.8K230 G231 E232G211-K230 PolarHBondContact N-O 3.32Å; G211-G231 WeakPolarHBondContact O-CA 3.4Å; G211-E232 PolarHBondContact O-N 3.02Å
212E58.1Low63.3Low148 Ų14880.7 Ų80.769%0.69242%0.42SS*.EExtended strand (participates in β ladder)trans-104.1146.3170.7-73.3159.3-151.900108.8A214 E232E212-A214 PolarHBondContact O-N 2.97Å; E212-E232 CarbonylContact C-O 3.57Å; E212-E232 WeakPolarHBondContact CA-O 3.35Å; E212-E232 HydrophobicContact CG-CB 4.39Å
213G58.9Low63.6Low22 Ų2272.8 Ų72.823%0.22739%0.392CS..  trans6630.8163.600000117.1Q215 E232G213-Q215 WeakPolarHBondContact O-CG 2.91Å; G213-Q215 PolarHBondContact O-N 3.26Å; G213-E232 PolarHBondContact N-O 3.37Å
214A69.1Low64.3Low17 Ų1772 Ų7214%0.1438%0.381CS..  trans-63.1117.1170.400000110.4N206 E212 A234 Q235N206-A214 HydrophobicContact CB-CB 4.43Å; E212-A214 PolarHBondContact O-N 2.97Å; A214-A234 CarbonylContact O-C 3.55Å; A214-A234 WeakPolarHBondContact O-CA 3.36Å; A214-Q235 PolarHBondContact O-N 2.94Å
215Q71.9Confident64.8Low65 Ų6572.6 Ų72.630%0.30438%0.379SS..EExtended strand (participates in β ladder)trans-129.2112.9-170.5-73.3-163.8-0.800113.4T194 S195 S196 G213 Q235T194-Q215 PolarHBondContact O-N 2.83Å; T194-Q215 VanDerWaalsContact O-N 3.07Å; S195-Q215 CarbonylContact C-O 3.59Å; S195-Q215 WeakPolarHBondContact CA-O 3.47Å; S196-Q215 PolarHBondContact N-O 2.81Å; G213-Q215 WeakPolarHBondContact O-CG 2.91Å; G213-Q215 PolarHBondContact O-N 3.26Å; Q215-Q235 CarbonylContact C-O 3.54Å; Q215-Q235 WeakPolarHBondContact CA-O 3.35Å; Q215-Q235 HydrophobicContact CG-CB 4.31Å
216N71.5Confident64.9Low6 Ų668.1 Ų68.13%0.03236%0.358CS..EExtended strand (participates in β ladder)trans-102.8122.5172.8-57.4-46.9000110.4S196 N206 A224 N226 Q235 N236 Q237S196-N216 PolarHBondContact OG-OD1 2.63Å; N206-N216 PolarHBondContact ND2-ND2 2.85Å; N206-N216 PolarHBondContact ND2-OD1 3.49Å; N216-A224 HydrophobicContact CB-CB 4.29Å; N216-N226 PolarHBondContact ND2-OD1 2.86Å; N216-Q235 PolarHBondContact N-O 3.41Å; N216-N236 WeakPolarHBondContact CB-OD1 3.29Å; N216-N236 PolarHBondContact ND2-OD1 3.27Å; N216-N236 CarbonylContact O-C 3.56Å; N216-N236 WeakPolarHBondContact O-CA 3.28Å; N216-Q237 PolarHBondContact O-N 2.94Å
217Q72.1Confident65.1Low74 Ų7469.8 Ų69.835%0.34637%0.365SS..EExtended strand (participates in β ladder)trans-125.5127179.4-56.5-163.13000111.9S196 Q197 G198 Q237S196-Q217 PolarHBondContact O-N 2.88Å; Q197-Q217 WeakPolarHBondContact CA-O 3.32Å; G198-Q217 PolarHBondContact N-O 3.44Å; Q217-Q237 WeakPolarHBondContact CA-O 3.25Å; Q217-Q237 HydrophobicContact CG-CB 4.37Å
218G63.5Low65Low21 Ų2164.9 Ų64.922%0.21635%0.347CS..EExtended strand (participates in β ladder)trans-143.2146.5-171.800000116.4Q237 A238 K239G218-Q237 PolarHBondContact N-O 2.85Å; G218-A238 WeakPolarHBondContact O-CA 3.3Å; G218-K239 PolarHBondContact O-N 2.83Å; G218-K239 VanDerWaalsContact O-N 3.14Å
219K62.9Low65Low129 Ų12969 Ų6956%0.56136%0.358SS*.EExtended strand (participates in β ladder)trans-77.2-48.6169.3-71.7-176.3-177.2179.60111.1K239 K240K219-K239 WeakPolarHBondContact O-CB 3.39Å; K219-K240 PolarHBondContact O-N 2.89Å; K219-K240 VanDerWaalsContact O-N 3.14Å
220K57.9Low64.9Low135 Ų13565.3 Ų65.359%0.58734%0.342SS*.EExtended strand (participates in β ladder)trans-127.7138.5162.4-71.2-174177.7-174.60107.1K240K220-K240 WeakPolarHBondContact CA-O 3.42Å
221G57Low65.1Low24 Ų2457.4 Ų57.425%0.24731%0.311CS..  trans-168.2126.4172.400000111.1K240 G241G221-K240 PolarHBondContact N-O 2.82Å; G221-G241 WeakPolarHBondContact O-CA 3.33Å
222E60.4Low65.5Low103 Ų10359.1 Ų59.148%0.48131%0.31SS..SBendtrans-101.7143.3171.6-75117.2-142.200109.1G203 A224 K240 E242G203-E222 WeakPolarHBondContact CA-O 3.36Å; G203-E222 PolarHBondContact N-O 2.82Å; E222-A224 PolarHBondContact O-N 3.12Å; E222-K240 IonicContact OE1-NZ 3.06Å; E222-K240 PolarHBondContact OE1-NZ 2.96Å; E222-E242 WeakPolarHBondContact CA-O 2.99Å; E222-E242 HydrophobicContact CG-CB 4.15Å
223G61.8Low65.8Low31 Ų3153.2 Ų53.232%0.3229%0.289SS..  trans68.228.416800000117.2G203 Q225 E242G203-G223 WeakPolarHBondContact CA-O 3.32Å; G223-Q225 PolarHBondContact O-N 3.08Å; G223-E242 PolarHBondContact N-O 2.83Å
224A71.8Confident66.5Low19 Ų1953.2 Ų53.216%0.15729%0.286CS..  trans-63126.6173.100000111.1N216 E222 A244 Q245N216-A224 HydrophobicContact CB-CB 4.29Å; E222-A224 PolarHBondContact O-N 3.12Å; A224-A244 CarbonylContact O-C 3.55Å; A224-A244 WeakPolarHBondContact O-CA 3.12Å; A224-Q245 PolarHBondContact O-N 3.36Å
225Q74.5Confident66.9Low46 Ų4654.4 Ų54.422%0.21529%0.289CS..EExtended strand (participates in β ladder)trans-126.2133.4-173.1-71.7-167.8-0.200112.7A204 Q205 N206 G223 Q245A204-Q225 PolarHBondContact O-N 2.76Å; Q205-Q225 CarbonylContact C-O 3.55Å; Q205-Q225 VanDerWaalsContact CA-O 3.27Å; Q205-Q225 WeakPolarHBondContact CA-O 3.02Å; Q205-Q225 HydrophobicContact CB-CB 4.42Å; Q205-Q225 HydrophobicContact CG-CB 4.03Å; N206-Q225 PolarHBondContact N-O 3.01Å; G223-Q225 PolarHBondContact O-N 3.08Å; Q225-Q245 CarbonylContact C-O 3.56Å; Q225-Q245 VanDerWaalsContact CA-O 3.31Å; Q225-Q245 WeakPolarHBondContact CA-O 3.38Å; Q225-Q245 HydrophobicContact CG-CB 4.31Å; Q225-Q245 VanDerWaalsContact NE2-OE1 3.09Å
226N73.1Confident67Low7 Ų751.6 Ų51.64%0.03728%0.276CS..EExtended strand (participates in β ladder)trans-118.6128.7165.8-58.2-56.3000110N206 N216 A234 N236 Q245 N246 Q247N206-N226 WeakPolarHBondContact CB-OD1 3.36Å; N206-N226 PolarHBondContact ND2-OD1 2.89Å; N206-N226 WeakPolarHBondContact O-CA 3.38Å; N216-N226 PolarHBondContact ND2-OD1 2.86Å; N226-A234 HydrophobicContact CB-CB 4.28Å; N226-N236 PolarHBondContact ND2-ND2 3.43Å; N226-N236 PolarHBondContact ND2-OD1 2.84Å; N226-Q245 PolarHBondContact N-O 3.26Å; N226-N246 WeakPolarHBondContact CB-OD1 3.38Å; N226-N246 PolarHBondContact ND2-OD1 3.25Å; N226-N246 CarbonylContact O-C 3.53Å; N226-N246 WeakPolarHBondContact O-CA 3.33Å; N226-Q247 PolarHBondContact O-N 2.97Å
227Q74.6Confident67.2Low63 Ų6354.5 Ų54.529%0.29429%0.29SS..EExtended strand (participates in β ladder)trans-126.7116.9178.3-55-165.624.200111.4N206 Q207 A208 Q247N206-Q227 PolarHBondContact O-N 2.83Å; Q207-Q227 WeakPolarHBondContact CA-O 3.31Å; Q207-Q227 HydrophobicContact CG-CB 4.39Å; A208-Q227 PolarHBondContact N-O 2.92Å; Q227-Q247 WeakPolarHBondContact CA-O 3.41Å; Q227-Q247 HydrophobicContact CG-CB 4.44Å
228A67.9Low67Low29 Ų2952.1 Ų52.124%0.2428%0.283CS..EExtended strand (participates in β ladder)trans-133.7138.1-175.300000114.1A208 Q247 G248 K249A208-A228 WeakPolarHBondContact O-CA 3.29Å; A228-Q247 PolarHBondContact N-O 2.88Å; A228-G248 WeakPolarHBondContact O-CA 3Å; A228-K249 PolarHBondContact O-N 2.85Å
229K65.1Low67.1Low125 Ų12557 Ų5754%0.54330%0.298SS..EExtended strand (participates in β ladder)trans-75-48173.5-63.8178.3-177.1176.30111.4A208 K209 K249 K250A208-K229 PolarHBondContact O-N 3.34Å; A208-K229 VanDerWaalsContact O-N 3.14Å; K209-K229 WeakPolarHBondContact O-CB 3.43Å; K229-K249 WeakPolarHBondContact O-CB 3.37Å; K229-K250 PolarHBondContact O-N 2.83Å; K229-K250 VanDerWaalsContact O-N 3.12Å
230K60Low67.2Low96 Ų9653.9 Ų53.942%0.41729%0.285SS..EExtended strand (participates in β ladder)trans-126.6134.7156.6-172.4-164.6-174.8-110.10107.5K209 K210 G211 E232 K250K209-K230 PolarHBondContact O-N 3.23Å; K210-K230 WeakPolarHBondContact CA-O 3.43Å; G211-K230 PolarHBondContact N-O 3.32Å; K230-E232 WeakPolarHBondContact CE-OE1 3.42Å; K230-E232 IonicContact NZ-OE1 2.69Å; K230-E232 PolarHBondContact NZ-OE1 3.04Å; K230-K250 WeakPolarHBondContact CA-O 3.35Å; K230-K250 HydrophobicContact CG-CB 4.4Å
231G60.5Low67.4Low12 Ų1247.8 Ų47.812%0.12426%0.26CS..EExtended strand (participates in β ladder)trans-166.3155.2170.300000114.3G211 K250 G251 E252G211-G231 WeakPolarHBondContact O-CA 3.4Å; G231-K250 PolarHBondContact N-O 3.01Å; G231-G251 WeakPolarHBondContact O-CA 3.33Å; G231-E252 PolarHBondContact O-N 3.2Å
232E63.9Low67.7Low69 Ų6949.2 Ų49.232%0.32226%0.26SS..EExtended strand (participates in β ladder)trans-127.2138.5-173.4-78.3152.6-123.400109.9G211 E212 G213 K230 E252G211-E232 PolarHBondContact O-N 3.02Å; E212-E232 CarbonylContact C-O 3.57Å; E212-E232 WeakPolarHBondContact CA-O 3.35Å; E212-E232 HydrophobicContact CG-CB 4.39Å; G213-E232 PolarHBondContact N-O 3.37Å; K230-E232 WeakPolarHBondContact CE-OE1 3.42Å; K230-E232 IonicContact NZ-OE1 2.69Å; K230-E232 PolarHBondContact NZ-OE1 3.04Å; E232-E252 WeakPolarHBondContact CA-O 3.4Å; E232-E252 HydrophobicContact CG-CB 4.18Å
233G63.1Low67.9Low24 Ų2445.6 Ų45.625%0.24725%0.25CC..  trans68.534.417400000116Q235 E252G233-Q235 PolarHBondContact O-N 2.83Å; G233-E252 PolarHBondContact N-O 3.07Å
234A73.2Confident68.5Low22 Ų2245.1 Ų45.118%0.18224%0.243CC..  trans-69.4121172.200000110.9A214 N226 A254 Q255A214-A234 CarbonylContact O-C 3.55Å; A214-A234 WeakPolarHBondContact O-CA 3.36Å; N226-A234 HydrophobicContact CB-CB 4.28Å; A234-A254 CarbonylContact O-C 3.5Å; A234-A254 WeakPolarHBondContact O-CA 3.38Å; A234-Q255 PolarHBondContact O-N 3.46Å
235Q77.4Confident68.8Low43 Ų4346.1 Ų46.120%0.20124%0.244CC..EExtended strand (participates in β ladder)trans-129.2134.2-174.9-54.2-174.9-1.400113.3A214 Q215 N216 G233 Q255A214-Q235 PolarHBondContact O-N 2.94Å; Q215-Q235 CarbonylContact C-O 3.54Å; Q215-Q235 WeakPolarHBondContact CA-O 3.35Å; Q215-Q235 HydrophobicContact CG-CB 4.31Å; N216-Q235 PolarHBondContact N-O 3.41Å; G233-Q235 PolarHBondContact O-N 2.83Å; Q235-Q255 CarbonylContact C-O 3.56Å; Q235-Q255 VanDerWaalsContact CA-O 3.31Å; Q235-Q255 WeakPolarHBondContact CA-O 3.38Å; Q235-Q255 HydrophobicContact CG-CB 4.22Å
236N74.4Confident68.9Low6 Ų644.2 Ų44.23%0.03224%0.236CC..EExtended strand (participates in β ladder)trans-117.1127.4168.6-58.4-54.8000110.1N216 N226 A244 N246 Q255 N256 Q257N216-N236 WeakPolarHBondContact CB-OD1 3.29Å; N216-N236 PolarHBondContact ND2-OD1 3.27Å; N216-N236 CarbonylContact O-C 3.56Å; N216-N236 WeakPolarHBondContact O-CA 3.28Å; N226-N236 PolarHBondContact ND2-ND2 3.43Å; N226-N236 PolarHBondContact ND2-OD1 2.84Å; N236-A244 HydrophobicContact CB-CB 3.99Å; N236-N246 PolarHBondContact ND2-OD1 3.46Å; N236-Q255 PolarHBondContact N-O 3.48Å; N236-N256 WeakPolarHBondContact CB-OD1 3.43Å; N236-N256 PolarHBondContact ND2-OD1 3.09Å; N236-N256 CarbonylContact O-C 3.56Å; N236-N256 WeakPolarHBondContact O-CA 3.38Å; N236-Q257 PolarHBondContact O-N 2.8Å
237Q75.7Confident69.2Low66 Ų6647.2 Ų47.231%0.30825%0.25SC..EExtended strand (participates in β ladder)trans-129.1121.4179.9-54.8-165.128.700112.5N216 Q217 G218 Q257N216-Q237 PolarHBondContact O-N 2.94Å; Q217-Q237 WeakPolarHBondContact CA-O 3.25Å; Q217-Q237 HydrophobicContact CG-CB 4.37Å; G218-Q237 PolarHBondContact N-O 2.85Å; Q237-Q257 WeakPolarHBondContact CA-O 3.26Å; Q237-Q257 HydrophobicContact CG-CB 4.32Å
238A68.3Low68.9Low25 Ų2545.3 Ų45.321%0.20725%0.246CC..EExtended strand (participates in β ladder)trans-133.3142.8-174.800000114.4G218 Q257 K259G218-A238 WeakPolarHBondContact O-CA 3.3Å; A238-Q257 PolarHBondContact N-O 2.85Å; A238-K259 PolarHBondContact O-N 2.61Å
239K66.3Low68.9Low122 Ų12249.6 Ų49.653%0.5326%0.26SS..EExtended strand (participates in β ladder)trans-81-49.9170.2-60.5-175.9-179.7-179.50111.9G218 K219 K259 K260G218-K239 PolarHBondContact O-N 2.83Å; G218-K239 VanDerWaalsContact O-N 3.14Å; K219-K239 WeakPolarHBondContact O-CB 3.39Å; K239-K259 HydrophobicContact CG-CD 4.43Å; K239-K259 WeakPolarHBondContact O-CB 3.31Å; K239-K260 PolarHBondContact O-N 2.92Å
240K64Low68.9Low65 Ų6549.6 Ų49.628%0.28326%0.26SS..EExtended strand (participates in β ladder)trans-119.7137.6153.6-177-165176.1-760107.8K219 K220 G221 E222 E242 K260K219-K240 PolarHBondContact O-N 2.89Å; K219-K240 VanDerWaalsContact O-N 3.14Å; K220-K240 WeakPolarHBondContact CA-O 3.42Å; G221-K240 PolarHBondContact N-O 2.82Å; E222-K240 IonicContact OE1-NZ 3.06Å; E222-K240 PolarHBondContact OE1-NZ 2.96Å; K240-E242 VanDerWaalsContact CE-OE1 3.25Å; K240-E242 WeakPolarHBondContact CE-OE1 3.35Å; K240-E242 IonicContact NZ-OE1 3.35Å; K240-E242 PolarHBondContact NZ-OE1 2.96Å; K240-E242 IonicContact NZ-OE2 2.89Å; K240-E242 PolarHBondContact NZ-OE2 3.49Å; K240-K260 VanDerWaalsContact CA-O 3.3Å; K240-K260 WeakPolarHBondContact CA-O 3.29Å
241G62.2Low69.1Low6 Ų646 Ų466%0.06225%0.25CC..  trans-173.3147.6171.200000112.2G221 K260 G261G221-G241 WeakPolarHBondContact O-CA 3.33Å; G241-K260 PolarHBondContact N-O 2.85Å; G241-G261 WeakPolarHBondContact O-CA 3.41Å
242E63.9Low69.5Low55 Ų5549.1 Ų49.126%0.25726%0.261SS..SBendtrans-118140.3179-79.8104.8-118.400109.5E222 G223 K240 E262E222-E242 WeakPolarHBondContact CA-O 2.99Å; E222-E242 HydrophobicContact CG-CB 4.15Å; G223-E242 PolarHBondContact N-O 2.83Å; K240-E242 VanDerWaalsContact CE-OE1 3.25Å; K240-E242 WeakPolarHBondContact CE-OE1 3.35Å; K240-E242 IonicContact NZ-OE1 3.35Å; K240-E242 PolarHBondContact NZ-OE1 2.96Å; K240-E242 IonicContact NZ-OE2 2.89Å; K240-E242 PolarHBondContact NZ-OE2 3.49Å; E242-E262 HydrophobicContact CB-CB 4.09Å; E242-E262 HydrophobicContact CG-CB 3.73Å; E242-E262 HydrophobicContact CG-CG 3.82Å
243G64.5Low69.6Low26 Ų2647 Ų4727%0.26826%0.258SS..  trans68.538.1165.500000117.1E262G243-E262 PolarHBondContact N-O 3.46Å
244A75Confident70.3Confident21 Ų2146.9 Ų46.917%0.17425%0.254CS..  trans-69.3129.1172.300000111.4A224 N236 G264 Q265A224-A244 CarbonylContact O-C 3.55Å; A224-A244 WeakPolarHBondContact O-CA 3.12Å; N236-A244 HydrophobicContact CB-CB 3.99Å; A244-G264 CarbonylContact O-C 3.54Å; A244-G264 WeakPolarHBondContact O-CA 3.33Å; A244-Q265 PolarHBondContact O-N 2.89Å
245Q78.5Confident70.6Confident40 Ų4047.8 Ų47.819%0.18726%0.255CS..EExtended strand (participates in β ladder)trans-126.4138-175.1-55.2-177.2-45.500113.2A224 Q225 N226 Q265A224-Q245 PolarHBondContact O-N 3.36Å; Q225-Q245 CarbonylContact C-O 3.56Å; Q225-Q245 VanDerWaalsContact CA-O 3.31Å; Q225-Q245 WeakPolarHBondContact CA-O 3.38Å; Q225-Q245 HydrophobicContact CG-CB 4.31Å; Q225-Q245 VanDerWaalsContact NE2-OE1 3.09Å; N226-Q245 PolarHBondContact N-O 3.26Å; Q245-Q265 CarbonylContact C-O 3.54Å; Q245-Q265 VanDerWaalsContact CA-O 3.28Å; Q245-Q265 WeakPolarHBondContact CA-O 3.43Å; Q245-Q265 HydrophobicContact CG-CB 4.25Å
246N76Confident70.7Confident7 Ų746.1 Ų46.14%0.03725%0.247CC..EExtended strand (participates in β ladder)trans-120.7126.6167.4-58.8-55.3000109.4N226 N236 A254 N256 Q265 N266 Q267N226-N246 WeakPolarHBondContact CB-OD1 3.38Å; N226-N246 PolarHBondContact ND2-OD1 3.25Å; N226-N246 CarbonylContact O-C 3.53Å; N226-N246 WeakPolarHBondContact O-CA 3.33Å; N236-N246 PolarHBondContact ND2-OD1 3.46Å; N246-A254 HydrophobicContact CB-CB 4.2Å; N246-N256 PolarHBondContact ND2-OD1 3Å; N246-Q265 PolarHBondContact N-O 3.07Å; N246-N266 WeakPolarHBondContact CB-OD1 3.35Å; N246-N266 PolarHBondContact ND2-OD1 2.93Å; N246-N266 CarbonylContact O-C 3.59Å; N246-N266 WeakPolarHBondContact O-CA 3.32Å; N246-Q267 PolarHBondContact O-N 3.18Å
247Q78.4Confident70.8Confident70 Ų7049 Ų4933%0.32726%0.26SS..EExtended strand (participates in β ladder)trans-127.3140.3-179.5-55.4-16525.500112.3N226 Q227 A228 Q267N226-Q247 PolarHBondContact O-N 2.97Å; Q227-Q247 WeakPolarHBondContact CA-O 3.41Å; Q227-Q247 HydrophobicContact CG-CB 4.44Å; A228-Q247 PolarHBondContact N-O 2.88Å; Q247-Q267 CarbonylContact C-O 3.54Å; Q247-Q267 WeakPolarHBondContact CA-O 3.4Å; Q247-Q267 HydrophobicContact CG-CB 4.34Å
248G68.5Low70.6Confident22 Ų2247 Ų4723%0.22726%0.256CS..EExtended strand (participates in β ladder)trans-167.9168.3175.200000118.5A228 Q267 A268 K269A228-G248 WeakPolarHBondContact O-CA 3Å; G248-Q267 PolarHBondContact N-O 3.43Å; G248-A268 WeakPolarHBondContact O-CA 3.26Å; G248-K269 PolarHBondContact O-N 3.04Å; G248-K269 VanDerWaalsContact O-N 3.09Å
249K68.5Low70.5Confident119 Ų11951.4 Ų51.452%0.51727%0.27SS..EExtended strand (participates in β ladder)trans-86.1-47.8175.5-59.2-175-178.4-174.20111.7A228 K229 K269 K270A228-K249 PolarHBondContact O-N 2.85Å; K229-K249 WeakPolarHBondContact O-CB 3.37Å; K249-K269 HydrophobicContact CG-CD 4.45Å; K249-K269 WeakPolarHBondContact O-CB 3.31Å; K249-K270 PolarHBondContact O-N 3.15Å
250K65.6Low70.5Confident125 Ų12551.9 Ų51.954%0.54327%0.272SS..EExtended strand (participates in β ladder)trans-127.3135.2165-68.7-175.7178.9-178.30108K229 K230 G231 K270K229-K250 PolarHBondContact O-N 2.83Å; K229-K250 VanDerWaalsContact O-N 3.12Å; K230-K250 WeakPolarHBondContact CA-O 3.35Å; K230-K250 HydrophobicContact CG-CB 4.4Å; G231-K250 PolarHBondContact N-O 3.01Å; K250-K270 WeakPolarHBondContact CA-O 3.45Å; K250-K270 HydrophobicContact CG-CB 4.47Å
251G64.3Low70.4Confident20 Ų2049.4 Ų49.421%0.20627%0.265CS..EExtended strand (participates in β ladder)trans-173.2152.116900000115.1G231 K270 G271 E272G231-G251 WeakPolarHBondContact O-CA 3.33Å; G251-K270 PolarHBondContact N-O 2.92Å; G251-G271 WeakPolarHBondContact O-CA 3.4Å; G251-E272 PolarHBondContact O-N 2.96Å
252E67.8Low70.5Confident79 Ų7955.1 Ų55.137%0.36929%0.29SS..EExtended strand (participates in β ladder)trans-132141.3-167-55177-171.600109.5G231 E232 G233 A254 K270 E272G231-E252 PolarHBondContact O-N 3.2Å; E232-E252 WeakPolarHBondContact CA-O 3.4Å; E232-E252 HydrophobicContact CG-CB 4.18Å; G233-E252 PolarHBondContact N-O 3.07Å; E252-A254 PolarHBondContact O-N 2.85Å; E252-K270 IonicContact OE1-NZ 3.14Å; E252-K270 PolarHBondContact OE1-NZ 2.93Å; E252-E272 CarbonylContact C-O 3.46Å; E252-E272 VanDerWaalsContact CA-O 3.27Å; E252-E272 WeakPolarHBondContact CA-O 3.49Å; E252-E272 HydrophobicContact CG-CB 4.24Å
253G66.2Low70.5Confident25 Ų2553 Ų5326%0.25828%0.284SS..  trans67.932178.600000115.9Q255 E272G253-Q255 PolarHBondContact O-N 2.95Å; G253-E272 PolarHBondContact N-O 2.84Å
254A76.9Confident70.9Confident20 Ų2052.2 Ų52.217%0.16528%0.275CS..  trans-71.4120.9175.500000111.4A234 N246 E252 A274 Q275A234-A254 CarbonylContact O-C 3.5Å; A234-A254 WeakPolarHBondContact O-CA 3.38Å; N246-A254 HydrophobicContact CB-CB 4.2Å; E252-A254 PolarHBondContact O-N 2.85Å; A254-A274 CarbonylContact O-C 3.57Å; A254-A274 WeakPolarHBondContact O-CA 3.41Å; A254-Q275 PolarHBondContact O-N 2.85Å
255Q81.3Confident71.2Confident42 Ų4253.6 Ų53.620%0.19628%0.278CS..EExtended strand (participates in β ladder)trans-126.2138.4-174-59-174.2-1500113.7A234 Q235 N236 G253 Q275A234-Q255 PolarHBondContact O-N 3.46Å; Q235-Q255 CarbonylContact C-O 3.56Å; Q235-Q255 VanDerWaalsContact CA-O 3.31Å; Q235-Q255 WeakPolarHBondContact CA-O 3.38Å; Q235-Q255 HydrophobicContact CG-CB 4.22Å; N236-Q255 PolarHBondContact N-O 3.48Å; G253-Q255 PolarHBondContact O-N 2.95Å; Q255-Q275 CarbonylContact C-O 3.54Å; Q255-Q275 VanDerWaalsContact CA-O 3.29Å; Q255-Q275 WeakPolarHBondContact CA-O 3.41Å; Q255-Q275 HydrophobicContact CG-CB 4.3Å
256N77.8Confident71.3Confident7 Ų752 Ų524%0.03727%0.271CS..EExtended strand (participates in β ladder)trans-122.3129.3165.6-56.9-60000110.3N236 N246 N266 Q275 N276 Q277N236-N256 WeakPolarHBondContact CB-OD1 3.43Å; N236-N256 PolarHBondContact ND2-OD1 3.09Å; N236-N256 CarbonylContact O-C 3.56Å; N236-N256 WeakPolarHBondContact O-CA 3.38Å; N246-N256 PolarHBondContact ND2-OD1 3Å; N256-N266 PolarHBondContact ND2-OD1 2.6Å; N256-Q275 PolarHBondContact N-O 3.3Å; N256-N276 WeakPolarHBondContact CB-OD1 3.46Å; N256-N276 PolarHBondContact ND2-OD1 3.11Å; N256-N276 CarbonylContact O-C 3.59Å; N256-N276 WeakPolarHBondContact O-CA 3.32Å; N256-Q277 PolarHBondContact O-N 3Å
257Q77.9Confident71.5Confident66 Ų6655 Ų5531%0.30828%0.284SS..EExtended strand (participates in β ladder)trans-128.1115.2-179.8-55.4-16630.400111.8N236 Q237 A238 Q277N236-Q257 PolarHBondContact O-N 2.8Å; Q237-Q257 WeakPolarHBondContact CA-O 3.26Å; Q237-Q257 HydrophobicContact CG-CB 4.32Å; A238-Q257 PolarHBondContact N-O 2.85Å; Q257-Q277 WeakPolarHBondContact CA-O 3.43Å; Q257-Q277 HydrophobicContact CG-CB 4.43Å
258A70Confident71.3Confident25 Ų2553 Ų5321%0.20728%0.279CS..EExtended strand (participates in β ladder)trans-127.9130.3-176.100000113.2Q277 G278 K279A258-Q277 PolarHBondContact N-O 3.49Å; A258-G278 WeakPolarHBondContact O-CA 3.31Å; A258-K279 PolarHBondContact O-N 3.45Å
259K67.9Low71.5Confident117 Ų11757.6 Ų57.651%0.50929%0.293SS..EExtended strand (participates in β ladder)trans-79.4-32.4176.1-64.8176.3-175.2172.50112.7A238 K239 K279A238-K259 PolarHBondContact O-N 2.61Å; K239-K259 HydrophobicContact CG-CD 4.43Å; K239-K259 WeakPolarHBondContact O-CB 3.31Å; K259-K279 WeakPolarHBondContact O-CB 3.44Å
260K66.2Low71.7Confident132 Ų13255 Ų5557%0.57428%0.282SS*.EExtended strand (participates in β ladder)trans-154.3129.5168.6-176.4-169.6174.3-1680110.4K239 K240 G241 K280K239-K260 PolarHBondContact O-N 2.92Å; K240-K260 VanDerWaalsContact CA-O 3.3Å; K240-K260 WeakPolarHBondContact CA-O 3.29Å; G241-K260 PolarHBondContact N-O 2.85Å; K260-K280 WeakPolarHBondContact CA-O 2.97Å
261G61.2Low71.7Confident13 Ų1349.4 Ų49.413%0.13426%0.26CS..SBendtrans146178.6168.600000112.9G241 K280 G281G241-G261 WeakPolarHBondContact O-CA 3.41Å; G261-K280 PolarHBondContact N-O 2.99Å; G261-G281 WeakPolarHBondContact O-CA 2.96Å
262E63.4Low72.1Confident126 Ų12650.8 Ų50.859%0.58926%0.261SS*.SBendtrans-65.1143.9178.1-64.3-178.3-175.500112.3E242 G243E242-E262 HydrophobicContact CB-CB 4.09Å; E242-E262 HydrophobicContact CG-CB 3.73Å; E242-E262 HydrophobicContact CG-CG 3.82Å; G243-E262 PolarHBondContact N-O 3.46Å
263G65.6Low72.1Confident12 Ų1248.3 Ų48.312%0.12426%0.257CS..PPolyproline II helixtrans-69.6155.3-159.900000115.4E282G263-E282 WeakPolarHBondContact CA-O 3.24Å; G263-E282 PolarHBondContact N-O 3.05Å
264G72.7Confident72.8Confident8 Ų848 Ų488%0.08225%0.252CS..PPolyproline II helixtrans-70.8150.3171.600000112.6A244 N276 Q285A244-G264 CarbonylContact O-C 3.54Å; A244-G264 WeakPolarHBondContact O-CA 3.33Å; G264-N276 PolarHBondContact O-ND2 2.82Å; G264-N276 PolarHBondContact O-OD1 3.39Å; G264-Q285 PolarHBondContact O-N 2.98Å
265Q81Confident73.1Confident51 Ų5148.9 Ų48.924%0.23825%0.252CS..EExtended strand (participates in β ladder)trans-122.1124.9176.6-55.3-178.2-7.300110.6A244 Q245 N246 Q285A244-Q265 PolarHBondContact O-N 2.89Å; Q245-Q265 CarbonylContact C-O 3.54Å; Q245-Q265 VanDerWaalsContact CA-O 3.28Å; Q245-Q265 WeakPolarHBondContact CA-O 3.43Å; Q245-Q265 HydrophobicContact CG-CB 4.25Å; N246-Q265 PolarHBondContact N-O 3.07Å; Q265-Q285 CarbonylContact C-O 3.55Å; Q265-Q285 VanDerWaalsContact CA-O 3.32Å; Q265-Q285 WeakPolarHBondContact CA-O 3.36Å; Q265-Q285 HydrophobicContact CG-CB 4.28Å
266N80Confident73.1Confident6 Ų647.1 Ų47.13%0.03224%0.244CC..EExtended strand (participates in β ladder)trans-112.6126.4172.6-57.1-57.3000110.2N246 N256 A274 N276 Q285 N286 Q287N246-N266 WeakPolarHBondContact CB-OD1 3.35Å; N246-N266 PolarHBondContact ND2-OD1 2.93Å; N246-N266 CarbonylContact O-C 3.59Å; N246-N266 WeakPolarHBondContact O-CA 3.32Å; N256-N266 PolarHBondContact ND2-OD1 2.6Å; N266-A274 HydrophobicContact CB-CB 4.04Å; N266-N276 PolarHBondContact ND2-OD1 2.83Å; N266-N276 VanDerWaalsContact ND2-OD1 3.12Å; N266-Q285 PolarHBondContact N-O 2.86Å; N266-N286 WeakPolarHBondContact CB-OD1 3.37Å; N266-N286 PolarHBondContact ND2-OD1 2.61Å; N266-N286 CarbonylContact O-C 3.56Å; N266-N286 WeakPolarHBondContact O-CA 3.05Å; N266-Q287 PolarHBondContact O-N 3.42Å
267Q80.8Confident73.2Confident70 Ų7050.1 Ų50.133%0.32726%0.258SS..EExtended strand (participates in β ladder)trans-125.7113.4-179.9-56.2-165.623.200111.8N246 Q247 G248 Q287N246-Q267 PolarHBondContact O-N 3.18Å; Q247-Q267 CarbonylContact C-O 3.54Å; Q247-Q267 WeakPolarHBondContact CA-O 3.4Å; Q247-Q267 HydrophobicContact CG-CB 4.34Å; G248-Q267 PolarHBondContact N-O 3.43Å; Q267-Q287 WeakPolarHBondContact CA-O 3.35Å; Q267-Q287 HydrophobicContact CG-CB 4.38Å
268A74.5Confident72.9Confident27 Ų2748 Ų4822%0.22326%0.255CS..EExtended strand (participates in β ladder)trans-133.6135.5-175.700000113.4G248 Q287 G288 K289G248-A268 WeakPolarHBondContact O-CA 3.26Å; A268-Q287 PolarHBondContact N-O 2.87Å; A268-G288 WeakPolarHBondContact O-CA 3.33Å; A268-K289 PolarHBondContact O-N 3.02Å
269K72.4Confident72.8Confident120 Ų12052.1 Ų52.152%0.52227%0.268SS..EExtended strand (participates in β ladder)trans-70.9-49.8174.2-63.1-178.4-178.1178.50111G248 K249 K289 K290G248-K269 PolarHBondContact O-N 3.04Å; G248-K269 VanDerWaalsContact O-N 3.09Å; K249-K269 HydrophobicContact CG-CD 4.45Å; K249-K269 WeakPolarHBondContact O-CB 3.31Å; K269-K289 VanDerWaalsContact O-CB 3.29Å; K269-K289 WeakPolarHBondContact O-CB 3.42Å; K269-K289 PolarHBondContact O-N 3.31Å; K269-K290 PolarHBondContact O-N 3.25Å
270K71.7Confident72.8Confident63 Ų6352.5 Ų52.527%0.27427%0.269SS..EExtended strand (participates in β ladder)trans-116.1132153.3176.2-172.3-174.5-89.40107.1K249 K250 G251 E252 E272 K290K249-K270 PolarHBondContact O-N 3.15Å; K250-K270 WeakPolarHBondContact CA-O 3.45Å; K250-K270 HydrophobicContact CG-CB 4.47Å; G251-K270 PolarHBondContact N-O 2.92Å; E252-K270 IonicContact OE1-NZ 3.14Å; E252-K270 PolarHBondContact OE1-NZ 2.93Å; K270-E272 WeakPolarHBondContact CE-OE1 3.26Å; K270-E272 IonicContact NZ-OE1 2.55Å; K270-E272 PolarHBondContact NZ-OE1 2.98Å; K270-E272 IonicContact NZ-OE2 2.7Å; K270-E272 PolarHBondContact NZ-OE2 2.84Å; K270-E272 VanDerWaalsContact NZ-OE2 3.14Å; K270-K290 WeakPolarHBondContact CA-O 3.29Å; K270-K290 HydrophobicContact CG-CD 4.25Å
271G66.4Low72.7Confident8 Ų847.1 Ų47.18%0.08225%0.251CS..EExtended strand (participates in β ladder)trans-159.2153.5168.400000114.5G251 K290 G291 E292G251-G271 WeakPolarHBondContact O-CA 3.4Å; G271-K290 PolarHBondContact N-O 2.89Å; G271-G291 VanDerWaalsContact O-CA 3.32Å; G271-G291 WeakPolarHBondContact O-CA 3.02Å; G271-E292 PolarHBondContact O-N 3.04Å; G271-E292 VanDerWaalsContact O-N 3.12Å
272E73Confident73Confident50 Ų5051.1 Ų51.123%0.23427%0.266CS..EExtended strand (participates in β ladder)trans-136.3134.5-168.4-56.8179.9-178.900108.6G251 E252 G253 K270 K290 E292G251-E272 PolarHBondContact O-N 2.96Å; E252-E272 CarbonylContact C-O 3.46Å; E252-E272 VanDerWaalsContact CA-O 3.27Å; E252-E272 WeakPolarHBondContact CA-O 3.49Å; E252-E272 HydrophobicContact CG-CB 4.24Å; G253-E272 PolarHBondContact N-O 2.84Å; K270-E272 WeakPolarHBondContact CE-OE1 3.26Å; K270-E272 IonicContact NZ-OE1 2.55Å; K270-E272 PolarHBondContact NZ-OE1 2.98Å; K270-E272 IonicContact NZ-OE2 2.7Å; K270-E272 PolarHBondContact NZ-OE2 2.84Å; K270-E272 VanDerWaalsContact NZ-OE2 3.14Å; E272-K290 IonicContact OE1-NZ 3.41Å; E272-K290 PolarHBondContact OE1-NZ 2.96Å; E272-E292 CarbonylContact C-O 3.53Å; E272-E292 VanDerWaalsContact CA-O 3.28Å; E272-E292 WeakPolarHBondContact CA-O 3.05Å; E272-E292 HydrophobicContact CG-CB 4.21Å
273G67.8Low73.2Confident27 Ų2746.6 Ų46.628%0.27825%0.254SS..  trans69.234.1-179.800000116.3E292G273-E292 PolarHBondContact N-O 3.41Å
274A79.9Confident73.9Confident18 Ų1846.9 Ų46.915%0.14926%0.255CS..  trans-73.4124.3174.900000111.6A254 N266 A294 Q295A254-A274 CarbonylContact O-C 3.57Å; A254-A274 WeakPolarHBondContact O-CA 3.41Å; N266-A274 HydrophobicContact CB-CB 4.04Å; A274-A294 CarbonylContact O-C 3.54Å; A274-A294 VanDerWaalsContact O-CA 3.31Å; A274-A294 WeakPolarHBondContact O-CA 3.37Å; A274-Q295 PolarHBondContact O-N 3.06Å
275Q83.7Confident74.4Confident39 Ų3948.3 Ų48.318%0.18226%0.259CS..EExtended strand (participates in β ladder)trans-131.3137.6-173-58.5-178.8-41.400113.6A254 Q255 N256 Q295A254-Q275 PolarHBondContact O-N 2.85Å; Q255-Q275 CarbonylContact C-O 3.54Å; Q255-Q275 VanDerWaalsContact CA-O 3.29Å; Q255-Q275 WeakPolarHBondContact CA-O 3.41Å; Q255-Q275 HydrophobicContact CG-CB 4.3Å; N256-Q275 PolarHBondContact N-O 3.3Å; Q275-Q295 CarbonylContact C-O 3.56Å; Q275-Q295 VanDerWaalsContact CA-O 3.29Å; Q275-Q295 WeakPolarHBondContact CA-O 3.42Å; Q275-Q295 HydrophobicContact CG-CB 4.24Å
276N81.5Confident74.5Confident5 Ų546.2 Ų46.23%0.02725%0.25CC..EExtended strand (participates in β ladder)trans-120.9128.3166.7-58.6-56.6000109.7N256 G264 N266 A284 Q285 N286 Q295 N296 Q297N256-N276 WeakPolarHBondContact CB-OD1 3.46Å; N256-N276 PolarHBondContact ND2-OD1 3.11Å; N256-N276 CarbonylContact O-C 3.59Å; N256-N276 WeakPolarHBondContact O-CA 3.32Å; G264-N276 PolarHBondContact O-ND2 2.82Å; G264-N276 PolarHBondContact O-OD1 3.39Å; N266-N276 PolarHBondContact ND2-OD1 2.83Å; N266-N276 VanDerWaalsContact ND2-OD1 3.12Å; N276-A284 HydrophobicContact CB-CB 3.98Å; N276-Q285 PolarHBondContact ND2-O 2.88Å; N276-Q285 VanDerWaalsContact ND2-O 3.13Å; N276-N286 PolarHBondContact ND2-OD1 3.1Å; N276-Q295 PolarHBondContact N-O 2.9Å; N276-N296 WeakPolarHBondContact CB-OD1 3.46Å; N276-N296 PolarHBondContact ND2-OD1 2.88Å; N276-N296 CarbonylContact O-C 3.57Å; N276-N296 WeakPolarHBondContact O-CA 3.46Å; N276-Q297 PolarHBondContact O-N 3.36Å
277Q80.6Confident74.7Confident69 Ų6949.2 Ų49.232%0.32226%0.264SS..EExtended strand (participates in β ladder)trans-130.4139.5-178.7-56-167.628.400112.4N256 Q257 A258 Q297N256-Q277 PolarHBondContact O-N 3Å; Q257-Q277 WeakPolarHBondContact CA-O 3.43Å; Q257-Q277 HydrophobicContact CG-CB 4.43Å; A258-Q277 PolarHBondContact N-O 3.49Å; Q277-Q297 CarbonylContact C-O 3.56Å; Q277-Q297 WeakPolarHBondContact CA-O 3.31Å; Q277-Q297 HydrophobicContact CG-CB 4.4Å
278G70.1Confident74.4Confident23 Ų2346.9 Ų46.924%0.23726%0.259CS..EExtended strand (participates in β ladder)trans-162.8166.617600000118.2A258 Q297 A298 K299A258-G278 WeakPolarHBondContact O-CA 3.31Å; G278-Q297 PolarHBondContact N-O 3.29Å; G278-A298 WeakPolarHBondContact O-CA 3.29Å; G278-K299 PolarHBondContact O-N 2.93Å; G278-K299 VanDerWaalsContact O-N 3.11Å
279K69.4Low74.5Confident110 Ų11051.2 Ų51.248%0.47827%0.272SS..EExtended strand (participates in β ladder)trans-90.9-43.7174.6-55.6-174.5-178.8-175.20112.3A258 K259 K299 K300A258-K279 PolarHBondContact O-N 3.45Å; K259-K279 WeakPolarHBondContact O-CB 3.44Å; K279-K299 HydrophobicContact CG-CD 4.34Å; K279-K299 WeakPolarHBondContact O-CB 3.37Å; K279-K300 PolarHBondContact O-N 2.6Å
280K67.5Low74.6Confident126 Ų12648.4 Ų48.455%0.54826%0.26SS..EExtended strand (participates in β ladder)trans-137127.8167.9-72.9-171.6176-173.40107.9K260 G261 K300K260-K280 WeakPolarHBondContact CA-O 2.97Å; G261-K280 PolarHBondContact N-O 2.99Å; K280-K300 WeakPolarHBondContact CA-O 3.13Å
281G64Low74.5Confident19 Ų1946.2 Ų46.220%0.19626%0.255CS..  trans-179.5152.6172.700000112.8G261 K300 G301G261-G281 WeakPolarHBondContact O-CA 2.96Å; G281-K300 PolarHBondContact N-O 2.86Å; G281-G301 WeakPolarHBondContact O-CA 3.43Å
282E67.7Low74.9Confident96 Ų9647.9 Ų47.945%0.44926%0.261SS..SBendtrans-121.2149.3-174-74.7128-131.900109.8G263 A284 E302G263-E282 WeakPolarHBondContact CA-O 3.24Å; G263-E282 PolarHBondContact N-O 3.05Å; E282-A284 PolarHBondContact O-N 3.02Å; E282-E302 CarbonylContact C-O 3.56Å; E282-E302 WeakPolarHBondContact CA-O 3.36Å; E282-E302 HydrophobicContact CG-CB 4.09Å
283G66.6Low74.9Confident31 Ų3146.8 Ų46.832%0.3226%0.263SS..  trans71.828.5171.500000116.8Q285 E302G283-Q285 PolarHBondContact O-N 2.85Å; G283-E302 PolarHBondContact N-O 2.97Å
284A80Confident75.6Confident18 Ų1846.2 Ų46.215%0.14926%0.256CS..  trans-68126.417400000111.6N276 E282 A304 Q305N276-A284 HydrophobicContact CB-CB 3.98Å; E282-A284 PolarHBondContact O-N 3.02Å; A284-A304 CarbonylContact O-C 3.54Å; A284-A304 WeakPolarHBondContact O-CA 3.31Å; A284-Q305 PolarHBondContact O-N 2.73Å
285Q83.9Confident75.9Confident39 Ų3947.3 Ų47.318%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-127.8144.8-173.3-61.7-169.4-900114.1G264 Q265 N266 N276 G283 Q305G264-Q285 PolarHBondContact O-N 2.98Å; Q265-Q285 CarbonylContact C-O 3.55Å; Q265-Q285 VanDerWaalsContact CA-O 3.32Å; Q265-Q285 WeakPolarHBondContact CA-O 3.36Å; Q265-Q285 HydrophobicContact CG-CB 4.28Å; N266-Q285 PolarHBondContact N-O 2.86Å; N276-Q285 PolarHBondContact ND2-O 2.88Å; N276-Q285 VanDerWaalsContact ND2-O 3.13Å; G283-Q285 PolarHBondContact O-N 2.85Å; Q285-Q305 CarbonylContact C-O 3.45Å; Q285-Q305 VanDerWaalsContact CA-O 3.32Å; Q285-Q305 WeakPolarHBondContact CA-O 3.46Å; Q285-Q305 HydrophobicContact CG-CB 4.33Å
286N83.4Confident75.9Confident7 Ų745.7 Ų45.74%0.03725%0.25CS..EExtended strand (participates in β ladder)trans-128.3129.7162.2-57-65000109.7N266 N276 A294 N296 Q305 N306 Q307N266-N286 WeakPolarHBondContact CB-OD1 3.37Å; N266-N286 PolarHBondContact ND2-OD1 2.61Å; N266-N286 CarbonylContact O-C 3.56Å; N266-N286 WeakPolarHBondContact O-CA 3.05Å; N276-N286 PolarHBondContact ND2-OD1 3.1Å; N286-A294 HydrophobicContact CB-CB 4.04Å; N286-N296 PolarHBondContact ND2-OD1 2.87Å; N286-Q305 PolarHBondContact N-O 2.85Å; N286-N306 WeakPolarHBondContact CB-OD1 2.93Å; N286-N306 PolarHBondContact ND2-OD1 2.87Å; N286-N306 CarbonylContact O-C 3.57Å; N286-N306 WeakPolarHBondContact O-CA 3.4Å; N286-Q307 PolarHBondContact O-N 2.94Å
287Q83.5Confident76Confident68 Ų6848.6 Ų48.632%0.31826%0.264SS..EExtended strand (participates in β ladder)trans-131.4142.8-178-54.7-166.424.400112.4N266 Q267 A268 Q307N266-Q287 PolarHBondContact O-N 3.42Å; Q267-Q287 WeakPolarHBondContact CA-O 3.35Å; Q267-Q287 HydrophobicContact CG-CB 4.38Å; A268-Q287 PolarHBondContact N-O 2.87Å; Q287-Q307 CarbonylContact C-O 3.6Å; Q287-Q307 VanDerWaalsContact CA-O 3.29Å; Q287-Q307 WeakPolarHBondContact CA-O 3.34Å; Q287-Q307 HydrophobicContact CG-CB 4.44Å
288G74.3Confident75.7Confident22 Ų2246.7 Ų46.723%0.22726%0.26CS..EExtended strand (participates in β ladder)trans-172.7177.3174.700000118.9A268 Q307 A308 K309A268-G288 WeakPolarHBondContact O-CA 3.33Å; G288-Q307 PolarHBondContact N-O 3.25Å; G288-A308 WeakPolarHBondContact O-CA 3.42Å; G288-K309 PolarHBondContact O-N 2.68Å
289K76.9Confident75.8Confident117 Ų11751 Ų5151%0.50927%0.272SS..EExtended strand (participates in β ladder)trans-90.7-52.4172.5-56.3-173.2-179.6-174.30111.8A268 K269 K309 K310A268-K289 PolarHBondContact O-N 3.02Å; K269-K289 VanDerWaalsContact O-CB 3.29Å; K269-K289 WeakPolarHBondContact O-CB 3.42Å; K269-K289 PolarHBondContact O-N 3.31Å; K289-K309 HydrophobicContact CG-CD 4.41Å; K289-K309 WeakPolarHBondContact O-CB 3.33Å; K289-K309 PolarHBondContact O-N 2.96Å; K289-K310 PolarHBondContact O-N 2.69Å
290K75.8Confident75.9Confident62 Ų6249.5 Ų49.527%0.2727%0.266SS..EExtended strand (participates in β ladder)trans-114.3124161.3-175.3-169-174.2-105.10107.6K269 K270 G271 E272 E292 K310K269-K290 PolarHBondContact O-N 3.25Å; K270-K290 WeakPolarHBondContact CA-O 3.29Å; K270-K290 HydrophobicContact CG-CD 4.25Å; G271-K290 PolarHBondContact N-O 2.89Å; E272-K290 IonicContact OE1-NZ 3.41Å; E272-K290 PolarHBondContact OE1-NZ 2.96Å; K290-E292 WeakPolarHBondContact CE-OE1 3.44Å; K290-E292 IonicContact NZ-OE1 3.6Å; K290-E292 PolarHBondContact NZ-OE1 3.45Å; K290-E292 IonicContact NZ-OE2 2.6Å; K290-E292 PolarHBondContact NZ-OE2 3.23Å; K290-K310 WeakPolarHBondContact CA-O 3.36Å
291G68.1Low75.8Confident16 Ų1644 Ų4417%0.16525%0.245CC..EExtended strand (participates in β ladder)trans-138.5126.6179.800000111.6G271 K310 G311 E312G271-G291 VanDerWaalsContact O-CA 3.32Å; G271-G291 WeakPolarHBondContact O-CA 3.02Å; G291-K310 PolarHBondContact N-O 3.45Å; G291-G311 CarbonylContact O-C 3.53Å; G291-G311 VanDerWaalsContact O-CA 3.26Å; G291-G311 WeakPolarHBondContact O-CA 3.34Å; G291-E312 PolarHBondContact O-N 2.94Å
292E75.8Confident76.1Confident43 Ų4345.7 Ų45.720%0.20125%0.248CC..EExtended strand (participates in β ladder)trans-129.4134.3-178.1-57.1-180170.400109.7G271 E272 G273 K290 K310 E312G271-E292 PolarHBondContact O-N 3.04Å; G271-E292 VanDerWaalsContact O-N 3.12Å; E272-E292 CarbonylContact C-O 3.53Å; E272-E292 VanDerWaalsContact CA-O 3.28Å; E272-E292 WeakPolarHBondContact CA-O 3.05Å; E272-E292 HydrophobicContact CG-CB 4.21Å; G273-E292 PolarHBondContact N-O 3.41Å; K290-E292 WeakPolarHBondContact CE-OE1 3.44Å; K290-E292 IonicContact NZ-OE1 3.6Å; K290-E292 PolarHBondContact NZ-OE1 3.45Å; K290-E292 IonicContact NZ-OE2 2.6Å; K290-E292 PolarHBondContact NZ-OE2 3.23Å; E292-K310 IonicContact OE1-NZ 2.85Å; E292-E312 CarbonylContact C-O 3.54Å; E292-E312 WeakPolarHBondContact CA-O 3.26Å; E292-E312 HydrophobicContact CB-CB 4.26Å; E292-E312 HydrophobicContact CG-CB 3.83Å
293G72.7Confident76.1Confident28 Ų2842.4 Ų42.429%0.28924%0.239SC..SBendtrans67.733.1-179.100000115.6E312G293-E312 PolarHBondContact N-O 2.96Å
294A82.5Confident76.9Confident14 Ų1441.9 Ų41.912%0.11623%0.232CC..  trans-73.3124.1176.400000111.7A274 N286 A314 Q315A274-A294 CarbonylContact O-C 3.54Å; A274-A294 VanDerWaalsContact O-CA 3.31Å; A274-A294 WeakPolarHBondContact O-CA 3.37Å; N286-A294 HydrophobicContact CB-CB 4.04Å; A294-A314 CarbonylContact O-C 3.53Å; A294-A314 VanDerWaalsContact O-CA 3.29Å; A294-A314 WeakPolarHBondContact O-CA 3.42Å; A294-Q315 PolarHBondContact O-N 3.23Å
295Q85.7Confident77.1Confident41 Ų4142.9 Ų42.919%0.19223%0.234CC..EExtended strand (participates in β ladder)trans-131.5137.8-173.8-56.7-177-24.100114A274 Q275 N276 Q315A274-Q295 PolarHBondContact O-N 3.06Å; Q275-Q295 CarbonylContact C-O 3.56Å; Q275-Q295 VanDerWaalsContact CA-O 3.29Å; Q275-Q295 WeakPolarHBondContact CA-O 3.42Å; Q275-Q295 HydrophobicContact CG-CB 4.24Å; N276-Q295 PolarHBondContact N-O 2.9Å; Q295-Q315 CarbonylContact C-O 3.54Å; Q295-Q315 VanDerWaalsContact CA-O 3.26Å; Q295-Q315 WeakPolarHBondContact CA-O 3.42Å; Q295-Q315 HydrophobicContact CG-CB 4.28Å
296N84.2Confident77.2Confident5 Ų541.3 Ų41.33%0.02723%0.226CC..EExtended strand (participates in β ladder)trans-122.1128.6168.1-58.7-53.5000110N276 N286 A304 Q305 N306 Q315 N316 Q317N276-N296 WeakPolarHBondContact CB-OD1 3.46Å; N276-N296 PolarHBondContact ND2-OD1 2.88Å; N276-N296 CarbonylContact O-C 3.57Å; N276-N296 WeakPolarHBondContact O-CA 3.46Å; N286-N296 PolarHBondContact ND2-OD1 2.87Å; N296-A304 HydrophobicContact CB-CB 3.99Å; N296-Q305 PolarHBondContact ND2-O 3.23Å; N296-N306 PolarHBondContact ND2-OD1 3.39Å; N296-N306 VanDerWaalsContact ND2-OD1 3.08Å; N296-Q315 PolarHBondContact N-O 2.94Å; N296-N316 WeakPolarHBondContact CB-OD1 3.43Å; N296-N316 PolarHBondContact ND2-OD1 2.85Å; N296-N316 CarbonylContact O-C 3.51Å; N296-N316 WeakPolarHBondContact O-CA 3.27Å; N296-Q317 PolarHBondContact O-N 3.38Å
297Q82.6Confident77.3Confident67 Ų6744.2 Ų44.231%0.31324%0.24SC..EExtended strand (participates in β ladder)trans-131117.6-178.4-56.1-167.72800112.6N276 Q277 G278 Q317N276-Q297 PolarHBondContact O-N 3.36Å; Q277-Q297 CarbonylContact C-O 3.56Å; Q277-Q297 WeakPolarHBondContact CA-O 3.31Å; Q277-Q297 HydrophobicContact CG-CB 4.4Å; G278-Q297 PolarHBondContact N-O 3.29Å; Q297-Q317 WeakPolarHBondContact CA-O 3.4Å; Q297-Q317 HydrophobicContact CG-CB 4.42Å
298A75.7Confident77.2Confident29 Ų2942 Ų4224%0.2423%0.233CC..EExtended strand (participates in β ladder)trans-132.6138.6-175.500000114.2G278 Q317 G318 K319G278-A298 WeakPolarHBondContact O-CA 3.29Å; A298-Q317 PolarHBondContact N-O 2.89Å; A298-G318 WeakPolarHBondContact O-CA 3.36Å; A298-K319 PolarHBondContact O-N 3.44Å
299K72.3Confident77.5Confident114 Ų11446.4 Ų46.450%0.49625%0.246SC..EExtended strand (participates in β ladder)trans-78.4-46.5173.9-60.8-178.8-176.8178.40112.2G278 K279 K319 K320G278-K299 PolarHBondContact O-N 2.93Å; G278-K299 VanDerWaalsContact O-N 3.11Å; K279-K299 HydrophobicContact CG-CD 4.34Å; K279-K299 WeakPolarHBondContact O-CB 3.37Å; K299-K319 WeakPolarHBondContact O-CB 3.24Å; K299-K320 PolarHBondContact O-N 3.35Å
300K70.9Confident77.7Confident78 Ų7844.6 Ų44.634%0.33924%0.238SC..EExtended strand (participates in β ladder)trans-120.4137.9149.3-170.7-157.8-179.1-105.70107K279 K280 G281 E302 K320K279-K300 PolarHBondContact O-N 2.6Å; K280-K300 WeakPolarHBondContact CA-O 3.13Å; G281-K300 PolarHBondContact N-O 2.86Å; K300-E302 WeakPolarHBondContact CE-OE1 3.19Å; K300-E302 IonicContact NZ-OE1 2.65Å; K300-E302 PolarHBondContact NZ-OE1 3.09Å; K300-E302 IonicContact NZ-OE2 2.72Å; K300-E302 PolarHBondContact NZ-OE2 3.46Å; K300-K320 VanDerWaalsContact CA-O 3.31Å; K300-K320 WeakPolarHBondContact CA-O 3.42Å; K300-K320 HydrophobicContact CG-CB 4.25Å
301G65.5Low77.6Confident11 Ų1142 Ų4211%0.11323%0.229CC..EExtended strand (participates in β ladder)trans-174.3148.7167.300000113.3G281 K320 G321 E322G281-G301 WeakPolarHBondContact O-CA 3.43Å; G301-K320 PolarHBondContact N-O 3.03Å; G301-G321 WeakPolarHBondContact O-CA 3.39Å; G301-E322 PolarHBondContact O-N 3.16Å
302E69.7Low78.2Confident54 Ų5445.1 Ų45.125%0.25224%0.239SC..EExtended strand (participates in β ladder)trans-115.9152.3179.1-71.9102-98.600111.2E282 G283 K300 A304 E322E282-E302 CarbonylContact C-O 3.56Å; E282-E302 WeakPolarHBondContact CA-O 3.36Å; E282-E302 HydrophobicContact CG-CB 4.09Å; G283-E302 PolarHBondContact N-O 2.97Å; K300-E302 WeakPolarHBondContact CE-OE1 3.19Å; K300-E302 IonicContact NZ-OE1 2.65Å; K300-E302 PolarHBondContact NZ-OE1 3.09Å; K300-E302 IonicContact NZ-OE2 2.72Å; K300-E302 PolarHBondContact NZ-OE2 3.46Å; E302-A304 PolarHBondContact O-N 3.4Å; E302-E322 CarbonylContact C-O 3.56Å; E302-E322 VanDerWaalsContact CA-O 3.31Å; E302-E322 WeakPolarHBondContact CA-O 3.36Å; E302-E322 HydrophobicContact CG-CB 3.92Å
303G68.4Low78.2Confident26 Ų2644.1 Ų44.127%0.26824%0.24SC..  trans69.133.8170.100000116Q305 E322G303-Q305 PolarHBondContact O-N 3.23Å; G303-E322 PolarHBondContact N-O 2.92Å
304A82Confident78.8Confident20 Ų2043.5 Ų43.517%0.16523%0.233CC..  trans-73.4122.4174.400000111.2A284 N296 E302 A324 Q325A284-A304 CarbonylContact O-C 3.54Å; A284-A304 WeakPolarHBondContact O-CA 3.31Å; N296-A304 HydrophobicContact CB-CB 3.99Å; E302-A304 PolarHBondContact O-N 3.4Å; A304-A324 CarbonylContact O-C 3.49Å; A304-A324 WeakPolarHBondContact O-CA 3.27Å; A304-Q325 PolarHBondContact O-N 2.6Å
305Q86.1Confident79Confident40 Ų4044.9 Ų44.919%0.18724%0.237CC..EExtended strand (participates in β ladder)trans-128.3138.7-172.1-63-180-2900113.5A284 Q285 N286 N296 G303 Q325A284-Q305 PolarHBondContact O-N 2.73Å; Q285-Q305 CarbonylContact C-O 3.45Å; Q285-Q305 VanDerWaalsContact CA-O 3.32Å; Q285-Q305 WeakPolarHBondContact CA-O 3.46Å; Q285-Q305 HydrophobicContact CG-CB 4.33Å; N286-Q305 PolarHBondContact N-O 2.85Å; N296-Q305 PolarHBondContact ND2-O 3.23Å; G303-Q305 PolarHBondContact O-N 3.23Å; Q305-Q325 CarbonylContact C-O 3.6Å; Q305-Q325 WeakPolarHBondContact CA-O 3.45Å; Q305-Q325 HydrophobicContact CG-CB 4.28Å
306N85.4Confident79Confident6 Ų643.1 Ų43.13%0.03223%0.229CC..EExtended strand (participates in β ladder)trans-123.6128.7166.5-57.9-58.8000110.1N286 N296 A314 N316 Q325 N326 Q327N286-N306 WeakPolarHBondContact CB-OD1 2.93Å; N286-N306 PolarHBondContact ND2-OD1 2.87Å; N286-N306 CarbonylContact O-C 3.57Å; N286-N306 WeakPolarHBondContact O-CA 3.4Å; N296-N306 PolarHBondContact ND2-OD1 3.39Å; N296-N306 VanDerWaalsContact ND2-OD1 3.08Å; N306-A314 HydrophobicContact CB-CB 4.05Å; N306-N316 PolarHBondContact ND2-OD1 2.89Å; N306-Q325 PolarHBondContact N-O 3.31Å; N306-N326 WeakPolarHBondContact CB-OD1 3.45Å; N306-N326 PolarHBondContact ND2-OD1 2.86Å; N306-N326 CarbonylContact O-C 3.36Å; N306-N326 WeakPolarHBondContact O-CA 2.77Å; N306-Q327 PolarHBondContact O-N 2.86Å
307Q85.4Confident78.9Confident67 Ų6746.2 Ų46.231%0.31324%0.243SC..EExtended strand (participates in β ladder)trans-130.9120.9-178.2-55.6-167.52800112.2N286 Q287 G288 Q327N286-Q307 PolarHBondContact O-N 2.94Å; Q287-Q307 CarbonylContact C-O 3.6Å; Q287-Q307 VanDerWaalsContact CA-O 3.29Å; Q287-Q307 WeakPolarHBondContact CA-O 3.34Å; Q287-Q307 HydrophobicContact CG-CB 4.44Å; G288-Q307 PolarHBondContact N-O 3.25Å; Q307-Q327 WeakPolarHBondContact CA-O 3.31Å; Q307-Q327 HydrophobicContact CG-CB 4.43Å
308A82.1Confident78.5Confident22 Ų2244.1 Ų44.118%0.18224%0.239CC..EExtended strand (participates in β ladder)trans-142.1144.1-177.100000114.4G288 Q327 S328 K329G288-A308 WeakPolarHBondContact O-CA 3.42Å; A308-Q327 PolarHBondContact N-O 2.98Å; A308-S328 WeakPolarHBondContact O-CA 2.96Å; A308-S328 WeakPolarHBondContact O-CB 3.31Å; A308-K329 PolarHBondContact O-N 2.75Å
309K79Confident78.3Confident115 Ų11548 Ų4850%0.525%0.25SS..EExtended strand (participates in β ladder)trans-71.6-50.9171.6-62.7-172.8-178.5-175.90111.1G288 K289 K329 K330G288-K309 PolarHBondContact O-N 2.68Å; K289-K309 HydrophobicContact CG-CD 4.41Å; K289-K309 WeakPolarHBondContact O-CB 3.33Å; K289-K309 PolarHBondContact O-N 2.96Å; K309-K329 WeakPolarHBondContact O-CB 3.41Å; K309-K329 PolarHBondContact O-N 2.84Å; K309-K330 PolarHBondContact O-N 3.3Å
310K81.8Confident78.3Confident78 Ų7848.5 Ų48.534%0.33925%0.253SS..EExtended strand (participates in β ladder)trans-113.4123.2157.7-174-166.4174.7-150.70107.6K289 K290 G291 E292 K330K289-K310 PolarHBondContact O-N 2.69Å; K290-K310 WeakPolarHBondContact CA-O 3.36Å; G291-K310 PolarHBondContact N-O 3.45Å; E292-K310 IonicContact OE1-NZ 2.85Å; K310-K330 WeakPolarHBondContact CA-O 3.42Å
311G73.7Confident78.1Confident8 Ų845.6 Ų45.68%0.08225%0.245CC..EExtended strand (participates in β ladder)trans-127.1144.6-179.700000113G291 K330 G331 E332G291-G311 CarbonylContact O-C 3.53Å; G291-G311 VanDerWaalsContact O-CA 3.26Å; G291-G311 WeakPolarHBondContact O-CA 3.34Å; G311-K330 PolarHBondContact N-O 3.33Å; G311-G331 VanDerWaalsContact O-CA 3.29Å; G311-G331 WeakPolarHBondContact O-CA 3.39Å; G311-E332 PolarHBondContact O-N 2.85Å
312E79.8Confident78.3Confident82 Ų8248.1 Ų48.138%0.38325%0.254SS..EExtended strand (participates in β ladder)trans-138.2139173.4-159.3168142.200111G291 E292 G293 A314 E332G291-E312 PolarHBondContact O-N 2.94Å; E292-E312 CarbonylContact C-O 3.54Å; E292-E312 WeakPolarHBondContact CA-O 3.26Å; E292-E312 HydrophobicContact CB-CB 4.26Å; E292-E312 HydrophobicContact CG-CB 3.83Å; G293-E312 PolarHBondContact N-O 2.96Å; E312-A314 VanDerWaalsContact C-N 3.33Å; E312-A314 PolarHBondContact O-N 3.39Å; E312-E332 CarbonylContact C-O 3.55Å; E312-E332 WeakPolarHBondContact CA-O 3.39Å; E312-E332 HydrophobicContact CG-CB 3.97Å
313G77Confident78.3Confident21 Ų2146.9 Ų46.922%0.21626%0.256CS..SBendtrans62.231.7172.700000115.3Q315 E332G313-Q315 PolarHBondContact O-N 2.91Å; G313-E332 PolarHBondContact N-O 3.49Å
314A84.5Confident79Confident16 Ų1646.7 Ų46.713%0.13225%0.252CS..  trans-72.1122.2177.500000111.2A294 N306 E312 A334 Q335A294-A314 CarbonylContact O-C 3.53Å; A294-A314 VanDerWaalsContact O-CA 3.29Å; A294-A314 WeakPolarHBondContact O-CA 3.42Å; N306-A314 HydrophobicContact CB-CB 4.05Å; E312-A314 VanDerWaalsContact C-N 3.33Å; E312-A314 PolarHBondContact O-N 3.39Å; A314-A334 CarbonylContact O-C 3.53Å; A314-A334 VanDerWaalsContact O-CA 3.31Å; A314-A334 WeakPolarHBondContact O-CA 3.29Å; A314-Q335 PolarHBondContact O-N 2.87Å
315Q87.1Confident79.2Confident43 Ų4347.7 Ų47.720%0.20125%0.253CS..EExtended strand (participates in β ladder)trans-131.1131.6-173.9-58.3-175.7-1100113.5A294 Q295 N296 G313 Q335A294-Q315 PolarHBondContact O-N 3.23Å; Q295-Q315 CarbonylContact C-O 3.54Å; Q295-Q315 VanDerWaalsContact CA-O 3.26Å; Q295-Q315 WeakPolarHBondContact CA-O 3.42Å; Q295-Q315 HydrophobicContact CG-CB 4.28Å; N296-Q315 PolarHBondContact N-O 2.94Å; G313-Q315 PolarHBondContact O-N 2.91Å; Q315-Q335 CarbonylContact C-O 3.5Å; Q315-Q335 WeakPolarHBondContact CA-O 3.42Å; Q315-Q335 HydrophobicContact CG-CB 4.26Å
316N85.2Confident79.2Confident4 Ų446.1 Ų46.12%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-114.7127.5167-58.3-52.7000109.5N296 N306 A324 Q325 N326 Q335 N336 Q337N296-N316 WeakPolarHBondContact CB-OD1 3.43Å; N296-N316 PolarHBondContact ND2-OD1 2.85Å; N296-N316 CarbonylContact O-C 3.51Å; N296-N316 WeakPolarHBondContact O-CA 3.27Å; N306-N316 PolarHBondContact ND2-OD1 2.89Å; N316-A324 HydrophobicContact CB-CB 3.92Å; N316-Q325 PolarHBondContact ND2-O 2.87Å; N316-N326 PolarHBondContact ND2-OD1 2.84Å; N316-N326 VanDerWaalsContact ND2-OD1 3.12Å; N316-Q335 PolarHBondContact N-O 2.9Å; N316-N336 WeakPolarHBondContact CB-OD1 3.36Å; N316-N336 PolarHBondContact ND2-OD1 2.76Å; N316-N336 CarbonylContact O-C 3.56Å; N316-N336 WeakPolarHBondContact O-CA 3.4Å; N316-Q337 PolarHBondContact O-N 3.18Å
317Q83.3Confident79.3Confident70 Ų7049 Ų4933%0.32726%0.259SS..EExtended strand (participates in β ladder)trans-131.4138.8-178.3-55.4-168.12500112.7N296 Q297 A298 Q337N296-Q317 PolarHBondContact O-N 3.38Å; Q297-Q317 WeakPolarHBondContact CA-O 3.4Å; Q297-Q317 HydrophobicContact CG-CB 4.42Å; A298-Q317 PolarHBondContact N-O 2.89Å; Q317-Q337 CarbonylContact C-O 3.55Å; Q317-Q337 WeakPolarHBondContact CA-O 3.32Å; Q317-Q337 HydrophobicContact CG-CB 4.38Å
318G72.9Confident79.2Confident22 Ų2247.2 Ų47.223%0.22725%0.254CS..EExtended strand (participates in β ladder)trans-162.1168.417400000118.6A298 Q337 A338 K339A298-G318 WeakPolarHBondContact O-CA 3.36Å; G318-Q337 PolarHBondContact N-O 3.11Å; G318-A338 WeakPolarHBondContact O-CA 3.38Å; G318-K339 PolarHBondContact O-N 2.99Å
319K73.2Confident79Confident111 Ų11151.6 Ų51.648%0.48327%0.269SS..EExtended strand (participates in β ladder)trans-90.5-46.1175-56.2-172.2-178.4-172.30111.9A298 K299 K339 K340A298-K319 PolarHBondContact O-N 3.44Å; K299-K319 WeakPolarHBondContact O-CB 3.24Å; K319-K339 HydrophobicContact CG-CD 4.33Å; K319-K339 WeakPolarHBondContact O-CB 3.32Å; K319-K340 PolarHBondContact O-N 2.91Å
320K72.3Confident79.2Confident124 Ų12449.4 Ų49.454%0.53926%0.259SS..EExtended strand (participates in β ladder)trans-124.2136161.7-69.9-172.9176.7-173.20107.2K299 K300 G301 K340K299-K320 PolarHBondContact O-N 3.35Å; K300-K320 VanDerWaalsContact CA-O 3.31Å; K300-K320 WeakPolarHBondContact CA-O 3.42Å; K300-K320 HydrophobicContact CG-CB 4.25Å; G301-K320 PolarHBondContact N-O 3.03Å; K320-K340 WeakPolarHBondContact CA-O 3.36Å
321G65.5Low78.9Confident17 Ų1746.1 Ų46.118%0.17525%0.247CC..EExtended strand (participates in β ladder)trans179.4149.3171.300000113.7G301 K340 G341G301-G321 WeakPolarHBondContact O-CA 3.39Å; G321-K340 PolarHBondContact N-O 3Å; G321-G341 WeakPolarHBondContact O-CA 3.33Å
322E69.9Low79.2Confident64 Ų6447.9 Ų47.930%0.29925%0.253SS..EExtended strand (participates in β ladder)trans-128.8147-171.5-73.4126.4-138.300110.2G301 E302 G303 K340 E342G301-E322 PolarHBondContact O-N 3.16Å; E302-E322 CarbonylContact C-O 3.56Å; E302-E322 VanDerWaalsContact CA-O 3.31Å; E302-E322 WeakPolarHBondContact CA-O 3.36Å; E302-E322 HydrophobicContact CG-CB 3.92Å; G303-E322 PolarHBondContact N-O 2.92Å; E322-K340 IonicContact OE1-NZ 2.76Å; E322-E342 VanDerWaalsContact CA-O 3.31Å; E322-E342 WeakPolarHBondContact CA-O 3.37Å; E322-E342 HydrophobicContact CG-CB 4.07Å
323G69.2Low79.1Confident29 Ų2945.2 Ų45.230%0.29925%0.248SC..  trans6835.8174.700000115.9E342 G343G323-E342 PolarHBondContact N-O 2.86Å; G323-G343 WeakPolarHBondContact CA-O 3.27Å
324A83.3Confident79.5Confident22 Ų2245.1 Ų45.118%0.18225%0.245CC..  trans-75.5123.4174.300000111.2A304 N316 N336 G344 Q345A304-A324 CarbonylContact O-C 3.49Å; A304-A324 WeakPolarHBondContact O-CA 3.27Å; N316-A324 HydrophobicContact CB-CB 3.92Å; A324-N336 HydrophobicContact CB-CB 4.49Å; A324-G344 CarbonylContact O-C 3.57Å; A324-G344 WeakPolarHBondContact O-CA 3.37Å; A324-Q345 PolarHBondContact O-N 2.8Å
325Q87Confident79.7Confident41 Ų4146.2 Ų46.219%0.19225%0.247CC..EExtended strand (participates in β ladder)trans-127.8139.3-173.4-55.5-179.1-4400113.2A304 Q305 N306 N316 Q345A304-Q325 PolarHBondContact O-N 2.6Å; Q305-Q325 CarbonylContact C-O 3.6Å; Q305-Q325 WeakPolarHBondContact CA-O 3.45Å; Q305-Q325 HydrophobicContact CG-CB 4.28Å; N306-Q325 PolarHBondContact N-O 3.31Å; N316-Q325 PolarHBondContact ND2-O 2.87Å; Q325-Q345 CarbonylContact C-O 3.52Å; Q325-Q345 WeakPolarHBondContact CA-O 3.38Å; Q325-Q345 HydrophobicContact CG-CB 4.24Å
326N86.6Confident79.6Confident7 Ų744.6 Ų44.64%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-122.4127.1164.9-57.9-60.5000109.6N306 N316 A334 Q335 N336 Q345 N346 Q347N306-N326 WeakPolarHBondContact CB-OD1 3.45Å; N306-N326 PolarHBondContact ND2-OD1 2.86Å; N306-N326 CarbonylContact O-C 3.36Å; N306-N326 WeakPolarHBondContact O-CA 2.77Å; N316-N326 PolarHBondContact ND2-OD1 2.84Å; N316-N326 VanDerWaalsContact ND2-OD1 3.12Å; N326-A334 HydrophobicContact CB-CB 3.99Å; N326-Q335 PolarHBondContact ND2-O 3.37Å; N326-N336 PolarHBondContact ND2-OD1 2.98Å; N326-Q345 PolarHBondContact N-O 3.48Å; N326-N346 WeakPolarHBondContact CB-OD1 3.19Å; N326-N346 PolarHBondContact ND2-OD1 2.93Å; N326-N346 CarbonylContact O-C 3.53Å; N326-N346 WeakPolarHBondContact O-CA 3.45Å; N326-Q347 PolarHBondContact O-N 2.81Å
327Q86.2Confident79.5Confident67 Ų6747.4 Ų47.431%0.31325%0.253SS..EExtended strand (participates in β ladder)trans-126.9135-179.2-57.2-167.920.700112N306 Q307 A308 Q347N306-Q327 PolarHBondContact O-N 2.86Å; Q307-Q327 WeakPolarHBondContact CA-O 3.31Å; Q307-Q327 HydrophobicContact CG-CB 4.43Å; A308-Q327 PolarHBondContact N-O 2.98Å; Q327-Q347 CarbonylContact C-O 3.51Å; Q327-Q347 WeakPolarHBondContact CA-O 2.96Å; Q327-Q347 HydrophobicContact CG-CB 4.38Å
328S82.7Confident79.3Confident28 Ų2845.4 Ų45.420%0.19625%0.249CC..EExtended strand (participates in β ladder)trans-151.6167.2177.368.10000116.5A308 G331 Q347 A348 K349A308-S328 WeakPolarHBondContact O-CA 2.96Å; A308-S328 WeakPolarHBondContact O-CB 3.31Å; S328-G331 WeakPolarHBondContact OG-CA 3.5Å; S328-G331 PolarHBondContact OG-N 3.09Å; S328-Q347 PolarHBondContact N-O 2.81Å; S328-A348 WeakPolarHBondContact O-CA 3Å; S328-K349 PolarHBondContact O-N 3.21Å
329K79.9Confident79.3Confident114 Ų11449.6 Ų49.650%0.49626%0.261SS..EExtended strand (participates in β ladder)trans-90.3-54.1165.4-60.6-174.8179.9-172.60111.2A308 K309 K349 K350A308-K329 PolarHBondContact O-N 2.75Å; K309-K329 WeakPolarHBondContact O-CB 3.41Å; K309-K329 PolarHBondContact O-N 2.84Å; K329-K349 HydrophobicContact CG-CD 4.49Å; K329-K349 WeakPolarHBondContact O-CA 3.25Å; K329-K349 WeakPolarHBondContact O-CB 3.08Å; K329-K349 PolarHBondContact O-N 3.41Å; K329-K350 PolarHBondContact O-N 2.91Å
330K82.6Confident79.2Confident70 Ų7047.7 Ų47.730%0.30425%0.252SS..EExtended strand (participates in β ladder)trans-111.8131.8158.5-165.4-163.7-173.3-131.40108.4K309 K310 G311 E332 K350K309-K330 PolarHBondContact O-N 3.3Å; K310-K330 WeakPolarHBondContact CA-O 3.42Å; G311-K330 PolarHBondContact N-O 3.33Å; K330-E332 WeakPolarHBondContact CE-OE1 3.43Å; K330-E332 IonicContact NZ-OE1 2.64Å; K330-E332 PolarHBondContact NZ-OE1 3.05Å; K330-E332 IonicContact NZ-OE2 3.49Å; K330-E332 PolarHBondContact NZ-OE2 2.8Å; K330-K350 WeakPolarHBondContact CA-O 3.44Å; K330-K350 HydrophobicContact CG-CB 4.45Å
331G74.3Confident78.8Confident8 Ų842.2 Ų42.28%0.08223%0.23CC..EExtended strand (participates in β ladder)trans-141.5132.9-179.900000113.4G311 S328 K350 G351 E352G311-G331 VanDerWaalsContact O-CA 3.29Å; G311-G331 WeakPolarHBondContact O-CA 3.39Å; S328-G331 WeakPolarHBondContact OG-CA 3.5Å; S328-G331 PolarHBondContact OG-N 3.09Å; G331-K350 PolarHBondContact N-O 2.85Å; G331-G351 CarbonylContact O-C 3.53Å; G331-G351 VanDerWaalsContact O-CA 3.26Å; G331-G351 WeakPolarHBondContact O-CA 3.37Å; G331-E352 PolarHBondContact O-N 3.04Å
332E80.2Confident78.8Confident45 Ų4544.1 Ų44.121%0.2124%0.235CC..EExtended strand (participates in β ladder)trans-118.1138170.1-89.1113-86.700111G311 E312 G313 K330 A334 E352G311-E332 PolarHBondContact O-N 2.85Å; E312-E332 CarbonylContact C-O 3.55Å; E312-E332 WeakPolarHBondContact CA-O 3.39Å; E312-E332 HydrophobicContact CG-CB 3.97Å; G313-E332 PolarHBondContact N-O 3.49Å; K330-E332 WeakPolarHBondContact CE-OE1 3.43Å; K330-E332 IonicContact NZ-OE1 2.64Å; K330-E332 PolarHBondContact NZ-OE1 3.05Å; K330-E332 IonicContact NZ-OE2 3.49Å; K330-E332 PolarHBondContact NZ-OE2 2.8Å; E332-A334 PolarHBondContact O-N 2.78Å; E332-E352 CarbonylContact C-O 3.54Å; E332-E352 WeakPolarHBondContact CA-O 2.96Å; E332-E352 HydrophobicContact CG-CB 4.06Å
333G78.1Confident78.7Confident26 Ų2642.1 Ų42.127%0.26823%0.231SC..SBendtrans67.730.5167.600000116.6E352G333-E352 PolarHBondContact N-O 2.95Å
334A85.4Confident79.1Confident19 Ų1941.4 Ų41.416%0.15723%0.225CC..  trans-70.1128176.300000112A314 N326 E332 A354 Q355A314-A334 CarbonylContact O-C 3.53Å; A314-A334 VanDerWaalsContact O-CA 3.31Å; A314-A334 WeakPolarHBondContact O-CA 3.29Å; N326-A334 HydrophobicContact CB-CB 3.99Å; E332-A334 PolarHBondContact O-N 2.78Å; A334-A354 CarbonylContact O-C 3.53Å; A334-A354 VanDerWaalsContact O-CA 3.31Å; A334-A354 WeakPolarHBondContact O-CA 3.3Å; A334-Q355 PolarHBondContact O-N 3.37Å
335Q88.3Confident79.2Confident40 Ų4042.3 Ų42.319%0.18723%0.225CC..EExtended strand (participates in β ladder)trans-133.7139.5-176.5-54.6-171.50.800113.8A314 Q315 N316 N326 Q355A314-Q335 PolarHBondContact O-N 2.87Å; Q315-Q335 CarbonylContact C-O 3.5Å; Q315-Q335 WeakPolarHBondContact CA-O 3.42Å; Q315-Q335 HydrophobicContact CG-CB 4.26Å; N316-Q335 PolarHBondContact N-O 2.9Å; N326-Q335 PolarHBondContact ND2-O 3.37Å; Q335-Q355 CarbonylContact C-O 3.57Å; Q335-Q355 VanDerWaalsContact CA-O 3.29Å; Q335-Q355 WeakPolarHBondContact CA-O 3.33Å; Q335-Q355 HydrophobicContact CG-CB 4.3Å
336N85.7Confident79.2Confident8 Ų840.8 Ų40.84%0.04322%0.218CC..EExtended strand (participates in β ladder)trans-122127.7165.6-58-55.3000109.9N316 A324 N326 Q345 N346 Q355 N356 Q357N316-N336 WeakPolarHBondContact CB-OD1 3.36Å; N316-N336 PolarHBondContact ND2-OD1 2.76Å; N316-N336 CarbonylContact O-C 3.56Å; N316-N336 WeakPolarHBondContact O-CA 3.4Å; A324-N336 HydrophobicContact CB-CB 4.49Å; N326-N336 PolarHBondContact ND2-OD1 2.98Å; N336-Q345 PolarHBondContact ND2-O 2.91Å; N336-N346 PolarHBondContact ND2-OD1 3.33Å; N336-N346 VanDerWaalsContact ND2-OD1 3.15Å; N336-Q355 PolarHBondContact N-O 3.12Å; N336-N356 WeakPolarHBondContact CB-OD1 3.43Å; N336-N356 PolarHBondContact ND2-OD1 3.29Å; N336-N356 CarbonylContact O-C 3.54Å; N336-N356 WeakPolarHBondContact O-CA 3.43Å; N336-Q357 PolarHBondContact O-N 3.07Å
337Q84.2Confident79.1Confident64 Ų6443.6 Ų43.630%0.29923%0.231SC..EExtended strand (participates in β ladder)trans-131.2123-177.3-55.9-16725.100112.9N316 Q317 G318 Q357N316-Q337 PolarHBondContact O-N 3.18Å; Q317-Q337 CarbonylContact C-O 3.55Å; Q317-Q337 WeakPolarHBondContact CA-O 3.32Å; Q317-Q337 HydrophobicContact CG-CB 4.38Å; G318-Q337 PolarHBondContact N-O 3.11Å; Q337-Q357 CarbonylContact C-O 3.57Å; Q337-Q357 WeakPolarHBondContact CA-O 3.29Å; Q337-Q357 HydrophobicContact CG-CB 4.4Å
338A77.9Confident79Confident28 Ų2841.3 Ų41.323%0.23122%0.224CC..EExtended strand (participates in β ladder)trans-133.3149.7-175.900000114.2G318 Q357 A358 K359G318-A338 WeakPolarHBondContact O-CA 3.38Å; A338-Q357 PolarHBondContact N-O 2.94Å; A338-A358 WeakPolarHBondContact O-CA 3.42Å; A338-K359 PolarHBondContact O-N 2.83Å; A338-K359 VanDerWaalsContact O-N 3.09Å
339K72.8Confident78.7Confident110 Ų11045.5 Ų45.548%0.47824%0.238SC..EExtended strand (participates in β ladder)trans-89.3-50.5168.2-58.7-176.2-176.9-1780111.9G318 K319 K359 K360G318-K339 PolarHBondContact O-N 2.99Å; K319-K339 HydrophobicContact CG-CD 4.33Å; K319-K339 WeakPolarHBondContact O-CB 3.32Å; K339-K359 HydrophobicContact CG-CD 4.35Å; K339-K359 VanDerWaalsContact O-CB 3.32Å; K339-K359 WeakPolarHBondContact O-CB 3.35Å; K339-K360 PolarHBondContact O-N 3.13Å
340K71.5Confident78.7Confident71 Ų7143.6 Ų43.631%0.30923%0.23SC..EExtended strand (participates in β ladder)trans-116.2139.2150.7-177.5-166175.4-75.60107.1K319 K320 G321 E322 E342 K360K319-K340 PolarHBondContact O-N 2.91Å; K320-K340 WeakPolarHBondContact CA-O 3.36Å; G321-K340 PolarHBondContact N-O 3Å; E322-K340 IonicContact OE1-NZ 2.76Å; K340-E342 WeakPolarHBondContact CE-OE1 3.44Å; K340-E342 IonicContact NZ-OE1 2.63Å; K340-E342 PolarHBondContact NZ-OE1 2.91Å; K340-E342 IonicContact NZ-OE2 3.99Å; K340-E342 PolarHBondContact NZ-OE2 3.48Å; K340-K360 VanDerWaalsContact CA-O 3.31Å; K340-K360 WeakPolarHBondContact CA-O 3.37Å
341G63.7Low78.2Confident8 Ų840.6 Ų40.68%0.08222%0.219CC..EExtended strand (participates in β ladder)trans-177.4151.7168.100000113.5G321 K360 G361G321-G341 WeakPolarHBondContact O-CA 3.33Å; G341-K360 PolarHBondContact N-O 3.03Å; G341-G361 WeakPolarHBondContact O-CA 3.46Å
342E65.7Low78.4Confident57 Ų5742.6 Ų42.627%0.26623%0.226SC..EExtended strand (participates in β ladder)trans-116.7148.4177.5-71.6100.8-111.100110.8E322 G323 K340 E362E322-E342 VanDerWaalsContact CA-O 3.31Å; E322-E342 WeakPolarHBondContact CA-O 3.37Å; E322-E342 HydrophobicContact CG-CB 4.07Å; G323-E342 PolarHBondContact N-O 2.86Å; K340-E342 WeakPolarHBondContact CE-OE1 3.44Å; K340-E342 IonicContact NZ-OE1 2.63Å; K340-E342 PolarHBondContact NZ-OE1 2.91Å; K340-E342 IonicContact NZ-OE2 3.99Å; K340-E342 PolarHBondContact NZ-OE2 3.48Å; E342-E362 WeakPolarHBondContact CA-O 3.49Å; E342-E362 HydrophobicContact CG-CB 3.9Å
343G67.9Low78.2Confident22 Ų2241.7 Ų41.723%0.22723%0.229CC..  trans71.640.9167.500000116.4G323 E362 G363G323-G343 WeakPolarHBondContact CA-O 3.27Å; G343-E362 PolarHBondContact N-O 3.16Å; G343-G363 WeakPolarHBondContact CA-O 3.41Å
344G77.6Confident78.5Confident15 Ų1541 Ų4116%0.15522%0.221CC..  trans-74.7120.6170.100000111.5A324 A364 Q365A324-G344 CarbonylContact O-C 3.57Å; A324-G344 WeakPolarHBondContact O-CA 3.37Å; G344-A364 CarbonylContact O-C 3.55Å; G344-A364 WeakPolarHBondContact O-CA 3.32Å; G344-Q365 PolarHBondContact O-N 3.32Å
345Q85.9Confident78.6Confident41 Ų4142 Ų4219%0.19222%0.222CC..EExtended strand (participates in β ladder)trans-124.4139.2-173.8-57.9-175.3-27.200113.4A324 Q325 N326 N336 Q365A324-Q345 PolarHBondContact O-N 2.8Å; Q325-Q345 CarbonylContact C-O 3.52Å; Q325-Q345 WeakPolarHBondContact CA-O 3.38Å; Q325-Q345 HydrophobicContact CG-CB 4.24Å; N326-Q345 PolarHBondContact N-O 3.48Å; N336-Q345 PolarHBondContact ND2-O 2.91Å; Q345-Q365 CarbonylContact C-O 3.58Å; Q345-Q365 VanDerWaalsContact CA-O 3.27Å; Q345-Q365 WeakPolarHBondContact CA-O 3.31Å; Q345-Q365 HydrophobicContact CG-CB 4.29Å
346N85.9Confident78.4Confident8 Ų840.5 Ų40.54%0.04322%0.215CC..EExtended strand (participates in β ladder)trans-126.5131.1166.2-56.4-64.6000110.6N326 N336 A354 N356 Q365 N366 Q367N326-N346 WeakPolarHBondContact CB-OD1 3.19Å; N326-N346 PolarHBondContact ND2-OD1 2.93Å; N326-N346 CarbonylContact O-C 3.53Å; N326-N346 WeakPolarHBondContact O-CA 3.45Å; N336-N346 PolarHBondContact ND2-OD1 3.33Å; N336-N346 VanDerWaalsContact ND2-OD1 3.15Å; N346-A354 HydrophobicContact CB-CB 4.07Å; N346-N356 PolarHBondContact ND2-OD1 2.85Å; N346-Q365 PolarHBondContact N-O 3.05Å; N346-N366 WeakPolarHBondContact CB-OD1 3.32Å; N346-N366 PolarHBondContact ND2-OD1 2.99Å; N346-N366 CarbonylContact O-C 3.5Å; N346-N366 WeakPolarHBondContact O-CA 3.36Å; N346-Q367 PolarHBondContact O-N 2.96Å
347Q85.5Confident78.3Confident66 Ų6643 Ų4331%0.30823%0.227SC..EExtended strand (participates in β ladder)trans-129.2132-179.9-56.3-169.219.300112.1N326 Q327 S328 Q367N326-Q347 PolarHBondContact O-N 2.81Å; Q327-Q347 CarbonylContact C-O 3.51Å; Q327-Q347 WeakPolarHBondContact CA-O 2.96Å; Q327-Q347 HydrophobicContact CG-CB 4.38Å; S328-Q347 PolarHBondContact N-O 2.81Å; Q347-Q367 CarbonylContact C-O 3.54Å; Q347-Q367 WeakPolarHBondContact CA-O 3.41Å; Q347-Q367 HydrophobicContact CG-CB 4.38Å
348A82.4Confident77.9Confident20 Ų2041 Ų4117%0.16522%0.222CC..EExtended strand (participates in β ladder)trans-146.3154.9-178.600000113.8S328 Q367 A368 K369S328-A348 WeakPolarHBondContact O-CA 3Å; A348-Q367 PolarHBondContact N-O 2.96Å; A348-A368 WeakPolarHBondContact O-CA 3.43Å; A348-K369 PolarHBondContact O-N 3.1Å
349K78.1Confident77.7Confident115 Ų11545.1 Ų45.150%0.523%0.234SC..EExtended strand (participates in β ladder)trans-85.7-51164.6-60.7-170.3-179.5-170.80111.1S328 K329 K369 K370S328-K349 PolarHBondContact O-N 3.21Å; K329-K349 HydrophobicContact CG-CD 4.49Å; K329-K349 WeakPolarHBondContact O-CA 3.25Å; K329-K349 WeakPolarHBondContact O-CB 3.08Å; K329-K349 PolarHBondContact O-N 3.41Å; K349-K369 WeakPolarHBondContact O-CB 3.49Å; K349-K369 PolarHBondContact O-N 2.92Å; K349-K370 PolarHBondContact O-N 2.93Å
350K80Confident77.6Confident75 Ų7544 Ų4433%0.32623%0.229SC..EExtended strand (participates in β ladder)trans-115.5127.6157.4-163-159.5-172.6-144.70107.7K329 K330 G331 E352 K370K329-K350 PolarHBondContact O-N 2.91Å; K330-K350 WeakPolarHBondContact CA-O 3.44Å; K330-K350 HydrophobicContact CG-CB 4.45Å; G331-K350 PolarHBondContact N-O 2.85Å; K350-E352 WeakPolarHBondContact CD-OE1 3.38Å; K350-E352 WeakPolarHBondContact CE-OE1 3.39Å; K350-E352 IonicContact NZ-OE1 2.76Å; K350-E352 PolarHBondContact NZ-OE1 2.8Å; K350-E352 IonicContact NZ-OE2 2.75Å; K350-K370 WeakPolarHBondContact CA-O 3.34Å; K350-K370 HydrophobicContact CG-CB 4.4Å
351G71.4Confident77.2Confident6 Ų640.9 Ų40.96%0.06222%0.218CC..EExtended strand (participates in β ladder)trans-142.3132.4-177.700000113.2G331 K370 G371 E372G331-G351 CarbonylContact O-C 3.53Å; G331-G351 VanDerWaalsContact O-CA 3.26Å; G331-G351 WeakPolarHBondContact O-CA 3.37Å; G351-K370 PolarHBondContact N-O 2.97Å; G351-G371 VanDerWaalsContact O-CA 3.27Å; G351-G371 WeakPolarHBondContact O-CA 3.4Å; G351-E372 PolarHBondContact O-N 3.13Å; G351-E372 VanDerWaalsContact O-N 3.09Å
352E78Confident77.4Confident50 Ų5043.2 Ų43.223%0.23423%0.226CC..EExtended strand (participates in β ladder)trans-124.9135.2178.5-71.7144.1-112.500110.4G331 E332 G333 K350 A354 E372G331-E352 PolarHBondContact O-N 3.04Å; E332-E352 CarbonylContact C-O 3.54Å; E332-E352 WeakPolarHBondContact CA-O 2.96Å; E332-E352 HydrophobicContact CG-CB 4.06Å; G333-E352 PolarHBondContact N-O 2.95Å; K350-E352 WeakPolarHBondContact CD-OE1 3.38Å; K350-E352 WeakPolarHBondContact CE-OE1 3.39Å; K350-E352 IonicContact NZ-OE1 2.76Å; K350-E352 PolarHBondContact NZ-OE1 2.8Å; K350-E352 IonicContact NZ-OE2 2.75Å; E352-A354 PolarHBondContact O-N 3.03Å; E352-E372 WeakPolarHBondContact CA-O 3.35Å; E352-E372 HydrophobicContact CG-CB 4.03Å
353G75.8Confident77.6Confident26 Ų2641.7 Ų41.727%0.26823%0.226SC..SBendtrans70.229.5173.700000116.4E372G353-E372 PolarHBondContact N-O 3.3Å
354A84.6Confident78.2Confident13 Ų1341.8 Ų41.811%0.10723%0.225CC..  trans-70.9128.6176.100000112.1A334 N346 E352 V374 Q375A334-A354 CarbonylContact O-C 3.53Å; A334-A354 VanDerWaalsContact O-CA 3.31Å; A334-A354 WeakPolarHBondContact O-CA 3.3Å; N346-A354 HydrophobicContact CB-CB 4.07Å; E352-A354 PolarHBondContact O-N 3.03Å; A354-V374 CarbonylContact O-C 3.57Å; A354-V374 WeakPolarHBondContact O-CA 3.33Å; A354-Q375 PolarHBondContact O-N 3.27Å
355Q87.2Confident78.6Confident40 Ų4043.3 Ų43.319%0.18723%0.228CC..EExtended strand (participates in β ladder)trans-132.8139.8-176.1-55.1-169.36.500114.4A334 Q335 N336 Q375A334-Q355 PolarHBondContact O-N 3.37Å; Q335-Q355 CarbonylContact C-O 3.57Å; Q335-Q355 VanDerWaalsContact CA-O 3.29Å; Q335-Q355 WeakPolarHBondContact CA-O 3.33Å; Q335-Q355 HydrophobicContact CG-CB 4.3Å; N336-Q355 PolarHBondContact N-O 3.12Å; Q355-Q375 CarbonylContact C-O 3.6Å; Q355-Q375 VanDerWaalsContact CA-O 3.27Å; Q355-Q375 WeakPolarHBondContact CA-O 3.32Å; Q355-Q375 HydrophobicContact CG-CB 4.28Å
356N84.9Confident78.6Confident7 Ų741.6 Ų41.64%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-122.3129.3164.5-57.4-53.8000110.2N336 N346 A364 Q365 N366 Q375 N376 Q377N336-N356 WeakPolarHBondContact CB-OD1 3.43Å; N336-N356 PolarHBondContact ND2-OD1 3.29Å; N336-N356 CarbonylContact O-C 3.54Å; N336-N356 WeakPolarHBondContact O-CA 3.43Å; N346-N356 PolarHBondContact ND2-OD1 2.85Å; N356-A364 HydrophobicContact CB-CB 3.97Å; N356-Q365 PolarHBondContact ND2-O 2.9Å; N356-N366 PolarHBondContact ND2-ND2 3.41Å; N356-N366 PolarHBondContact ND2-OD1 3.39Å; N356-Q375 PolarHBondContact N-O 2.86Å; N356-N376 WeakPolarHBondContact CB-OD1 3.38Å; N356-N376 PolarHBondContact ND2-OD1 2.93Å; N356-N376 CarbonylContact O-C 3.54Å; N356-N376 WeakPolarHBondContact O-CA 3.42Å; N356-Q377 PolarHBondContact O-N 2.83Å
357Q82.9Confident78.5Confident61 Ų6144.8 Ų44.829%0.28524%0.235SC..EExtended strand (participates in β ladder)trans-130.3124.8-179.2-55.9-168.124.400112.4N336 Q337 A338 Q377N336-Q357 PolarHBondContact O-N 3.07Å; Q337-Q357 CarbonylContact C-O 3.57Å; Q337-Q357 WeakPolarHBondContact CA-O 3.29Å; Q337-Q357 HydrophobicContact CG-CB 4.4Å; A338-Q357 PolarHBondContact N-O 2.94Å; Q357-Q377 WeakPolarHBondContact CA-O 3.44Å; Q357-Q377 HydrophobicContact CG-CB 4.41Å
358A76.6Confident78.3Confident23 Ų2342.3 Ų42.319%0.1923%0.225CC..EExtended strand (participates in β ladder)trans-131.5142-177.700000113.5A338 Q377 A378 K379A338-A358 WeakPolarHBondContact O-CA 3.42Å; A358-Q377 PolarHBondContact N-O 2.98Å; A358-A378 WeakPolarHBondContact O-CA 3.36Å; A358-K379 PolarHBondContact O-N 3.35Å
359K72.3Confident78.1Confident114 Ų11447 Ų4750%0.49624%0.242SC..EExtended strand (participates in β ladder)trans-80.7-51.1166.8-59.9-167.1179.7-168.30112A338 K339 K379 K380A338-K359 PolarHBondContact O-N 2.83Å; A338-K359 VanDerWaalsContact O-N 3.09Å; K339-K359 HydrophobicContact CG-CD 4.35Å; K339-K359 VanDerWaalsContact O-CB 3.32Å; K339-K359 WeakPolarHBondContact O-CB 3.35Å; K359-K379 HydrophobicContact CG-CD 4.47Å; K359-K379 CarbonylContact O-C 3.51Å; K359-K380 PolarHBondContact O-N 3.04Å
360K70.8Confident78.1Confident85 Ų8545.2 Ų45.237%0.3723%0.234SC..EExtended strand (participates in β ladder)trans-120.7139.2154.1-172-164.9176.2-140.90107.7K339 K340 G341 E362 K380K339-K360 PolarHBondContact O-N 3.13Å; K340-K360 VanDerWaalsContact CA-O 3.31Å; K340-K360 WeakPolarHBondContact CA-O 3.37Å; G341-K360 PolarHBondContact N-O 3.03Å; K360-E362 WeakPolarHBondContact CE-OE1 3.48Å; K360-E362 IonicContact NZ-OE1 2.61Å; K360-E362 PolarHBondContact NZ-OE1 2.85Å; K360-K380 WeakPolarHBondContact CA-O 3.49Å; K360-K380 WeakPolarHBondContact CG-O 3.19Å
361G64.4Low77.6Confident7 Ų741.7 Ų41.77%0.07222%0.219CC..EExtended strand (participates in β ladder)trans-178.7168.8172.100000112.8G341 V382G341-G361 WeakPolarHBondContact O-CA 3.46Å; G361-V382 PolarHBondContact O-N 2.74Å
362E67.6Low77.8Confident56 Ų5643.9 Ų43.926%0.26223%0.228SC..EExtended strand (participates in β ladder)trans-137.7154.3-174.7-71133.1-130.800109.4E342 G343 K360 A364 V382 E383E342-E362 WeakPolarHBondContact CA-O 3.49Å; E342-E362 HydrophobicContact CG-CB 3.9Å; G343-E362 PolarHBondContact N-O 3.16Å; K360-E362 WeakPolarHBondContact CE-OE1 3.48Å; K360-E362 IonicContact NZ-OE1 2.61Å; K360-E362 PolarHBondContact NZ-OE1 2.85Å; E362-A364 PolarHBondContact O-N 3.38Å; E362-V382 HydrophobicContact CG-CB 3.45Å; E362-V382 VanDerWaalsContact CG-CB 3.45Å; E362-V382 HydrophobicContact CG-CG1 3.86Å; E362-E383 WeakPolarHBondContact CA-O 3.37Å
363G68.8Low77.6Confident26 Ų2642.7 Ų42.727%0.26823%0.229SC..  trans6734.6167.100000117G343 Q365 E383 G384G343-G363 WeakPolarHBondContact CA-O 3.41Å; G363-Q365 PolarHBondContact O-N 3.47Å; G363-E383 PolarHBondContact N-O 2.88Å; G363-G384 CarbonylContact C-O 3.57Å; G363-G384 WeakPolarHBondContact CA-O 3.34Å
364A80.8Confident77.9Confident23 Ų2341.7 Ų41.719%0.1922%0.218CC..  trans-76116.2176.600000111.6G344 N356 E362 G384 A385 Q386G344-A364 CarbonylContact O-C 3.55Å; G344-A364 WeakPolarHBondContact O-CA 3.32Å; N356-A364 HydrophobicContact CB-CB 3.97Å; E362-A364 PolarHBondContact O-N 3.38Å; A364-G384 PolarHBondContact N-O 3.43Å; A364-A385 CarbonylContact O-C 3.58Å; A364-A385 VanDerWaalsContact O-CA 3.32Å; A364-A385 WeakPolarHBondContact O-CA 3.4Å; A364-Q386 PolarHBondContact O-N 2.72Å
365Q85.8Confident78Confident47 Ų4743.1 Ų43.122%0.2222%0.222CC..EExtended strand (participates in β ladder)trans-120.8141.4-173.3-61.6-179.9-36.700113G344 Q345 N346 N356 G363 Q386G344-Q365 PolarHBondContact O-N 3.32Å; Q345-Q365 CarbonylContact C-O 3.58Å; Q345-Q365 VanDerWaalsContact CA-O 3.27Å; Q345-Q365 WeakPolarHBondContact CA-O 3.31Å; Q345-Q365 HydrophobicContact CG-CB 4.29Å; N346-Q365 PolarHBondContact N-O 3.05Å; N356-Q365 PolarHBondContact ND2-O 2.9Å; G363-Q365 PolarHBondContact O-N 3.47Å; Q365-Q386 CarbonylContact C-O 3.55Å; Q365-Q386 VanDerWaalsContact CA-O 3.31Å; Q365-Q386 WeakPolarHBondContact CA-O 3.4Å; Q365-Q386 HydrophobicContact CG-CB 4.33Å
366N86.1Confident77.9Confident6 Ų641.4 Ų41.43%0.03221%0.214CC..EExtended strand (participates in β ladder)trans-131132.9169-57.3-64.4000110.2N346 N356 V374 N376 Q386 N387 Q388N346-N366 WeakPolarHBondContact CB-OD1 3.32Å; N346-N366 PolarHBondContact ND2-OD1 2.99Å; N346-N366 CarbonylContact O-C 3.5Å; N346-N366 WeakPolarHBondContact O-CA 3.36Å; N356-N366 PolarHBondContact ND2-ND2 3.41Å; N356-N366 PolarHBondContact ND2-OD1 3.39Å; N366-V374 HydrophobicContact CB-CG1 3.38Å; N366-V374 VanDerWaalsContact CG-CG1 3.45Å; N366-V374 VanDerWaalsContact ND2-CG1 3.29Å; N366-V374 WeakPolarHBondContact ND2-CG1 3.39Å; N366-N376 PolarHBondContact ND2-ND2 2.83Å; N366-N376 PolarHBondContact ND2-OD1 2.93Å; N366-Q386 PolarHBondContact N-O 3.19Å; N366-N387 PolarHBondContact ND2-OD1 3.47Å; N366-N387 CarbonylContact O-C 3.6Å; N366-N387 WeakPolarHBondContact O-CA 3.42Å; N366-Q388 PolarHBondContact O-N 2.9Å
367Q84.3Confident77.7Confident75 Ų7544 Ų4435%0.3523%0.226SC..EExtended strand (participates in β ladder)trans-129.4116.7179.6-55.7-169.91600111N346 Q347 A348 Q388N346-Q367 PolarHBondContact O-N 2.96Å; Q347-Q367 CarbonylContact C-O 3.54Å; Q347-Q367 WeakPolarHBondContact CA-O 3.41Å; Q347-Q367 HydrophobicContact CG-CB 4.38Å; A348-Q367 PolarHBondContact N-O 2.96Å; Q367-Q388 WeakPolarHBondContact CA-O 3.27Å; Q367-Q388 HydrophobicContact CG-CB 4.41Å
368A81.2Confident77.4Confident13 Ų1342.2 Ų42.211%0.10722%0.222CC..EExtended strand (participates in β ladder)trans-137.6128.4-177.500000112.4A348 Q388 G389 K390A348-A368 WeakPolarHBondContact O-CA 3.43Å; A368-Q388 PolarHBondContact N-O 3.48Å; A368-G389 WeakPolarHBondContact O-CA 3.46Å; A368-K390 PolarHBondContact O-N 2.95Å
369K78.7Confident77.1Confident118 Ų11846.7 Ų46.751%0.51324%0.237SC..EExtended strand (participates in β ladder)trans-69.4-46.7177.5-62.1-172.4-179.5-174.20111.3A348 K349 K390 K391A348-K369 PolarHBondContact O-N 3.1Å; K349-K369 WeakPolarHBondContact O-CB 3.49Å; K349-K369 PolarHBondContact O-N 2.92Å; K369-K390 WeakPolarHBondContact O-CA 3.37Å; K369-K390 VanDerWaalsContact O-CB 3.24Å; K369-K390 WeakPolarHBondContact O-CB 3.35Å; K369-K390 PolarHBondContact O-N 3.2Å; K369-K391 PolarHBondContact O-N 2.9Å
370K78Confident76.9Confident78 Ų7848.6 Ų48.634%0.33925%0.245SC..EExtended strand (participates in β ladder)trans-115.3127.1152.5-166.7-166.8-173.6-152.60107.8K349 K350 G351 E372 K391 E393K349-K370 PolarHBondContact O-N 2.93Å; K350-K370 WeakPolarHBondContact CA-O 3.34Å; K350-K370 HydrophobicContact CG-CB 4.4Å; G351-K370 PolarHBondContact N-O 2.97Å; K370-E372 WeakPolarHBondContact CE-OE1 3.2Å; K370-E372 IonicContact NZ-OE1 2.68Å; K370-E372 PolarHBondContact NZ-OE1 2.97Å; K370-K391 WeakPolarHBondContact CA-O 3.36Å; K370-K391 HydrophobicContact CG-CB 4.35Å; K370-E393 WeakPolarHBondContact CE-OE1 3.36Å; K370-E393 IonicContact NZ-OE1 2.88Å
371G69.1Low76.2Confident1 Ų145 Ų451%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-136.2138.3-178.700000113.1G351 K391 G392 E393G351-G371 VanDerWaalsContact O-CA 3.27Å; G351-G371 WeakPolarHBondContact O-CA 3.4Å; G371-K391 PolarHBondContact N-O 2.92Å; G371-G392 WeakPolarHBondContact O-CA 3.34Å; G371-E393 PolarHBondContact O-N 3.34Å
372E76Confident75.6Confident52 Ų5247.7 Ų47.724%0.24325%0.247CC..EExtended strand (participates in β ladder)trans-134.9135-179.9-59167.8-132.900109.6G351 E352 G353 K370 V374 E393G351-E372 PolarHBondContact O-N 3.13Å; G351-E372 VanDerWaalsContact O-N 3.09Å; E352-E372 WeakPolarHBondContact CA-O 3.35Å; E352-E372 HydrophobicContact CG-CB 4.03Å; G353-E372 PolarHBondContact N-O 3.3Å; K370-E372 WeakPolarHBondContact CE-OE1 3.2Å; K370-E372 IonicContact NZ-OE1 2.68Å; K370-E372 PolarHBondContact NZ-OE1 2.97Å; E372-V374 PolarHBondContact O-N 3.41Å; E372-E393 WeakPolarHBondContact CA-O 3.38Å; E372-E393 HydrophobicContact CG-CB 4.15Å; E372-E393 HydrophobicContact CG-CG 4.43Å
373G73.3Confident75.2Confident25 Ų2550.1 Ų50.126%0.25826%0.259SS..SBendtrans69.529.1174.600000115.9E393G373-E393 PolarHBondContact N-O 2.88Å
374V82.6Confident75Confident6 Ų650 Ų504%0.03626%0.258CS..  trans-73.9132.1-179.3-178.80000111.3A354 N366 E372 N387 N395 Q396A354-V374 CarbonylContact O-C 3.57Å; A354-V374 WeakPolarHBondContact O-CA 3.33Å; N366-V374 HydrophobicContact CB-CG1 3.38Å; N366-V374 VanDerWaalsContact CG-CG1 3.45Å; N366-V374 VanDerWaalsContact ND2-CG1 3.29Å; N366-V374 WeakPolarHBondContact ND2-CG1 3.39Å; E372-V374 PolarHBondContact O-N 3.41Å; V374-N387 WeakPolarHBondContact CG1-OD1 3.14Å; V374-N395 CarbonylContact O-C 3.52Å; V374-N395 WeakPolarHBondContact O-CA 3.47Å; V374-Q396 PolarHBondContact O-N 2.93Å
375Q85.9Confident74.9Confident42 Ų4250.1 Ų50.120%0.19626%0.258CS..EExtended strand (participates in β ladder)trans-136.3137-176.8-53.2-170.615.700115.2A354 Q355 N356 Q396A354-Q375 PolarHBondContact O-N 3.27Å; Q355-Q375 CarbonylContact C-O 3.6Å; Q355-Q375 VanDerWaalsContact CA-O 3.27Å; Q355-Q375 WeakPolarHBondContact CA-O 3.32Å; Q355-Q375 HydrophobicContact CG-CB 4.28Å; N356-Q375 PolarHBondContact N-O 2.86Å; Q375-Q396 CarbonylContact C-O 3.54Å; Q375-Q396 VanDerWaalsContact CA-O 3.3Å; Q375-Q396 WeakPolarHBondContact CA-O 3.34Å; Q375-Q396 HydrophobicContact CG-CB 4.29Å
376N84.9Confident74.9Confident5 Ų549.9 Ų49.93%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-119.3131164.2-61.5-51.8000110.4N356 N366 A385 N387 Q396 N397 Q398N356-N376 WeakPolarHBondContact CB-OD1 3.38Å; N356-N376 PolarHBondContact ND2-OD1 2.93Å; N356-N376 CarbonylContact O-C 3.54Å; N356-N376 WeakPolarHBondContact O-CA 3.42Å; N366-N376 PolarHBondContact ND2-ND2 2.83Å; N366-N376 PolarHBondContact ND2-OD1 2.93Å; N376-A385 HydrophobicContact CB-CB 4.08Å; N376-N387 PolarHBondContact ND2-OD1 2.65Å; N376-Q396 PolarHBondContact N-O 3.28Å; N376-N397 WeakPolarHBondContact CB-OD1 3.3Å; N376-N397 PolarHBondContact ND2-OD1 3.49Å; N376-N397 CarbonylContact O-C 3.53Å; N376-N397 WeakPolarHBondContact O-CA 3Å; N376-Q398 PolarHBondContact O-N 2.88Å
377Q81.9Confident74.8Confident61 Ų6149.6 Ų49.629%0.28526%0.256SS..EExtended strand (participates in β ladder)trans-132122.8-179.3-56.9-16919.200112.9N356 Q357 A358 Q398N356-Q377 PolarHBondContact O-N 2.83Å; Q357-Q377 WeakPolarHBondContact CA-O 3.44Å; Q357-Q377 HydrophobicContact CG-CB 4.41Å; A358-Q377 PolarHBondContact N-O 2.98Å; Q377-Q398 CarbonylContact C-O 3.49Å; Q377-Q398 WeakPolarHBondContact CA-O 3.46Å; Q377-Q398 HydrophobicContact CG-CB 4.42Å
378A75.9Confident74.8Confident23 Ų2349.4 Ų49.419%0.1926%0.255CS..EExtended strand (participates in β ladder)trans-127.6128.2-177.800000113.4A358 Q398 A399 K400A358-A378 WeakPolarHBondContact O-CA 3.36Å; A378-Q398 PolarHBondContact N-O 2.9Å; A378-A399 WeakPolarHBondContact O-CA 3.38Å; A378-K400 PolarHBondContact O-N 3.02Å
379K71.6Confident74.7Confident118 Ų11849.9 Ų49.951%0.51326%0.261SS..EExtended strand (participates in β ladder)trans-87.9-24.6179.3-62.2-177.9-177.7174.50114.1A358 K359 K400A358-K379 PolarHBondContact O-N 3.35Å; K359-K379 HydrophobicContact CG-CD 4.47Å; K359-K379 CarbonylContact O-C 3.51Å; K379-K400 HydrophobicContact CB-CD 4.49Å; K379-K400 WeakPolarHBondContact O-CB 3.31Å
380K66.6Low74.8Confident153 Ų15349.8 Ų49.867%0.66526%0.261SS*.EExtended strand (participates in β ladder)trans-150.680.4166.1-71.6-174.2178.1-177.40106.8K359 K360K359-K380 PolarHBondContact O-N 3.04Å; K360-K380 WeakPolarHBondContact CA-O 3.49Å; K360-K380 WeakPolarHBondContact CG-O 3.19Å
381G57.3Low74.8Confident10 Ų1048.9 Ų48.910%0.10326%0.257CS..EExtended strand (participates in β ladder)trans-75.7148.1177.400000111.4K401 G402G381-K401 WeakPolarHBondContact CA-O 3.48Å; G381-K401 PolarHBondContact N-O 3.15Å; G381-G402 WeakPolarHBondContact O-CA 3.25Å
382V51.5Low74.7Confident64 Ų6449 Ų4939%0.38826%0.258SS..  trans-104.8174.3140.4173.60000105.4G361 E362G361-V382 PolarHBondContact O-N 2.74Å; E362-V382 HydrophobicContact CG-CB 3.45Å; E362-V382 VanDerWaalsContact CG-CB 3.45Å; E362-V382 HydrophobicContact CG-CG1 3.86Å
383E59.1Low74.6Confident107 Ų10748.7 Ų48.750%0.526%0.257SS..SBendtrans-24.4157.8-170.2-67.7149.5-113.100121.7E362 G363 E403E362-E383 WeakPolarHBondContact CA-O 3.37Å; G363-E383 PolarHBondContact N-O 2.88Å; E383-E403 HydrophobicContact CG-CB 4.32Å; E383-E403 HydrophobicContact CG-CG 4.34Å
384G65.1Low74.5Confident24 Ų2449.8 Ų49.825%0.24726%0.263CS..  trans93.328144.900000118.1G363 A364 Q386G363-G384 CarbonylContact C-O 3.57Å; G363-G384 WeakPolarHBondContact CA-O 3.34Å; A364-G384 PolarHBondContact N-O 3.43Å; G384-Q386 PolarHBondContact O-N 2.82Å
385A79Confident74.4Confident24 Ų2449.9 Ų49.920%0.19826%0.264CS..  trans-73.7108.6168.400000110.7A364 N376 G405 Q406A364-A385 CarbonylContact O-C 3.58Å; A364-A385 VanDerWaalsContact O-CA 3.32Å; A364-A385 WeakPolarHBondContact O-CA 3.4Å; N376-A385 HydrophobicContact CB-CB 4.08Å; A385-G405 CarbonylContact O-C 3.52Å; A385-G405 WeakPolarHBondContact O-CA 3.39Å; A385-Q406 PolarHBondContact O-N 2.97Å
386Q84.3Confident74.4Confident42 Ų4250 Ų5020%0.19626%0.264CS..EExtended strand (participates in β ladder)trans-124.9130.1-173.1-59.3-179.1-47.800112.8A364 Q365 N366 G384 Q406A364-Q386 PolarHBondContact O-N 2.72Å; Q365-Q386 CarbonylContact C-O 3.55Å; Q365-Q386 VanDerWaalsContact CA-O 3.31Å; Q365-Q386 WeakPolarHBondContact CA-O 3.4Å; Q365-Q386 HydrophobicContact CG-CB 4.33Å; N366-Q386 PolarHBondContact N-O 3.19Å; G384-Q386 PolarHBondContact O-N 2.82Å; Q386-Q406 WeakPolarHBondContact CA-O 3.1Å; Q386-Q406 HydrophobicContact CG-CB 4.26Å
387N85.2Confident74.4Confident1 Ų150.1 Ų50.11%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-116.7123.5170-55.3-50.1000110.3N366 V374 N376 N395 N397 Q406 N407 Q408N366-N387 PolarHBondContact ND2-OD1 3.47Å; N366-N387 CarbonylContact O-C 3.6Å; N366-N387 WeakPolarHBondContact O-CA 3.42Å; V374-N387 WeakPolarHBondContact CG1-OD1 3.14Å; N376-N387 PolarHBondContact ND2-OD1 2.65Å; N387-N395 HydrophobicContact CB-CB 4.43Å; N387-N397 PolarHBondContact ND2-ND2 2.68Å; N387-N397 PolarHBondContact ND2-OD1 2.81Å; N387-Q406 PolarHBondContact N-O 3.28Å; N387-N407 PolarHBondContact ND2-OD1 3.34Å; N387-N407 CarbonylContact O-C 3.46Å; N387-N407 WeakPolarHBondContact O-CA 3.4Å; N387-Q408 PolarHBondContact O-N 2.82Å
388Q84.7Confident74.4Confident70 Ų7050.3 Ų50.333%0.32727%0.266SS..EExtended strand (participates in β ladder)trans-123.9147-178-58.4-171.69.700112.7N366 Q367 A368 Q408N366-Q388 PolarHBondContact O-N 2.9Å; Q367-Q388 WeakPolarHBondContact CA-O 3.27Å; Q367-Q388 HydrophobicContact CG-CB 4.41Å; A368-Q388 PolarHBondContact N-O 3.48Å; Q388-Q408 CarbonylContact C-O 3.56Å; Q388-Q408 VanDerWaalsContact CA-O 3.26Å; Q388-Q408 WeakPolarHBondContact CA-O 3.27Å; Q388-Q408 HydrophobicContact CG-CB 4.5Å
389G79.3Confident74.4Confident24 Ų2450.3 Ų50.325%0.24727%0.266CS..EExtended strand (participates in β ladder)trans-174.8-171.717700000118.3A368 Q408 T409A368-G389 WeakPolarHBondContact O-CA 3.46Å; G389-Q408 PolarHBondContact N-O 3.03Å; G389-T409 WeakPolarHBondContact O-CA 3.3Å
390K79.6Confident74.3Confident116 Ų11649.8 Ų49.850%0.50426%0.264SS..EExtended strand (participates in β ladder)trans-98.2-59.4166.5-57.1-174.1178-174.80111.3A368 K369 K410 K411A368-K390 PolarHBondContact O-N 2.95Å; K369-K390 WeakPolarHBondContact O-CA 3.37Å; K369-K390 VanDerWaalsContact O-CB 3.24Å; K369-K390 WeakPolarHBondContact O-CB 3.35Å; K369-K390 PolarHBondContact O-N 3.2Å; K390-K410 HydrophobicContact CG-CD 4.41Å; K390-K410 CarbonylContact O-C 3.56Å; K390-K410 WeakPolarHBondContact O-CA 3.39Å; K390-K410 WeakPolarHBondContact O-CB 3.05Å; K390-K410 PolarHBondContact O-N 2.97Å; K390-K411 PolarHBondContact O-N 3.4Å
391K78Confident74.5Confident59 Ų5949.3 Ų49.326%0.25726%0.261SS..EExtended strand (participates in β ladder)trans-111.1131164.3-163.4-166.7-175.8-156.80108.9K369 K370 G371 E393 K411 E413K369-K391 PolarHBondContact O-N 2.9Å; K370-K391 WeakPolarHBondContact CA-O 3.36Å; K370-K391 HydrophobicContact CG-CB 4.35Å; G371-K391 PolarHBondContact N-O 2.92Å; K391-E393 HydrophobicContact CD-CG 4.41Å; K391-E393 VanDerWaalsContact CD-OE1 3.32Å; K391-E393 WeakPolarHBondContact CD-OE1 3.44Å; K391-E393 WeakPolarHBondContact CE-OE1 3.35Å; K391-E393 IonicContact NZ-OE1 2.83Å; K391-E393 PolarHBondContact NZ-OE1 2.86Å; K391-E393 IonicContact NZ-OE2 3.64Å; K391-E393 PolarHBondContact NZ-OE2 2.83Å; K391-K411 WeakPolarHBondContact CA-O 3.19Å; K391-K411 HydrophobicContact CG-CB 4.42Å; K391-E413 WeakPolarHBondContact CE-OE1 3.3Å; K391-E413 IonicContact NZ-OE1 3.93Å; K391-E413 PolarHBondContact NZ-OE1 2.92Å; K391-E413 IonicContact NZ-OE2 2.84Å; K391-E413 PolarHBondContact NZ-OE2 2.81Å; K391-E413 VanDerWaalsContact NZ-OE2 3.1Å
392G67.5Low74.8Confident4 Ų449.6 Ų49.64%0.04126%0.264CS..EExtended strand (participates in β ladder)trans-132.7133.917600000111.7G371 K411 G412 E413G371-G392 WeakPolarHBondContact O-CA 3.34Å; G392-K411 PolarHBondContact N-O 3.34Å; G392-G412 WeakPolarHBondContact O-CA 3.47Å; G392-E413 PolarHBondContact O-N 2.95Å
393E73.1Confident75.3Confident45 Ų4550.9 Ų50.921%0.2127%0.266CS..EExtended strand (participates in β ladder)trans-127.4129.5-178.7-54.8176.4-131.800109.5K370 G371 E372 G373 K391 N395 E413K370-E393 WeakPolarHBondContact CE-OE1 3.36Å; K370-E393 IonicContact NZ-OE1 2.88Å; G371-E393 PolarHBondContact O-N 3.34Å; E372-E393 WeakPolarHBondContact CA-O 3.38Å; E372-E393 HydrophobicContact CG-CB 4.15Å; E372-E393 HydrophobicContact CG-CG 4.43Å; G373-E393 PolarHBondContact N-O 2.88Å; K391-E393 HydrophobicContact CD-CG 4.41Å; K391-E393 VanDerWaalsContact CD-OE1 3.32Å; K391-E393 WeakPolarHBondContact CD-OE1 3.44Å; K391-E393 WeakPolarHBondContact CE-OE1 3.35Å; K391-E393 IonicContact NZ-OE1 2.83Å; K391-E393 PolarHBondContact NZ-OE1 2.86Å; K391-E393 IonicContact NZ-OE2 3.64Å; K391-E393 PolarHBondContact NZ-OE2 2.83Å; E393-N395 VanDerWaalsContact C-N 3.33Å; E393-N395 PolarHBondContact O-N 2.82Å; E393-E413 WeakPolarHBondContact CA-O 3.44Å; E393-E413 HydrophobicContact CG-CB 4.35Å
394A71.1Confident75.6Confident47 Ų4746.5 Ų46.539%0.38825%0.25SC..SBendtrans56.534.3179.600000116Q396 E413A394-Q396 WeakPolarHBondContact O-CG 3.36Å; A394-Q396 PolarHBondContact O-N 2.9Å; A394-E413 PolarHBondContact N-O 2.81Å
395N81.5Confident76.1Confident9 Ų945.7 Ų45.75%0.04824%0.242CC..  trans-62.4124.5171.8-70.4-2.1000110.9V374 N387 E393 P415 Q416V374-N395 CarbonylContact O-C 3.52Å; V374-N395 WeakPolarHBondContact O-CA 3.47Å; N387-N395 HydrophobicContact CB-CB 4.43Å; E393-N395 VanDerWaalsContact C-N 3.33Å; E393-N395 PolarHBondContact O-N 2.82Å; N395-P415 HydrophobicContact CB-CB 4.48Å; N395-P415 CarbonylContact O-C 3.58Å; N395-P415 WeakPolarHBondContact O-CA 3.31Å; N395-Q416 PolarHBondContact O-N 2.88Å
396Q85.9Confident76.3Confident45 Ų4547.2 Ų47.221%0.2124%0.244CC..EExtended strand (participates in β ladder)trans-122.7134.3-179.6-53.9-167.416.700113.5V374 Q375 N376 A394 Q416V374-Q396 PolarHBondContact O-N 2.93Å; Q375-Q396 CarbonylContact C-O 3.54Å; Q375-Q396 VanDerWaalsContact CA-O 3.3Å; Q375-Q396 WeakPolarHBondContact CA-O 3.34Å; Q375-Q396 HydrophobicContact CG-CB 4.29Å; N376-Q396 PolarHBondContact N-O 3.28Å; A394-Q396 WeakPolarHBondContact O-CG 3.36Å; A394-Q396 PolarHBondContact O-N 2.9Å; Q396-Q416 CarbonylContact C-O 3.59Å; Q396-Q416 WeakPolarHBondContact CA-O 3.34Å; Q396-Q416 HydrophobicContact CG-CB 4.33Å
397N85.3Confident76.3Confident7 Ų745.2 Ų45.24%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-119.6127.2164.1-57.9-54.6000110.2N376 N387 G405 N407 Q416 N417 Q418N376-N397 WeakPolarHBondContact CB-OD1 3.3Å; N376-N397 PolarHBondContact ND2-OD1 3.49Å; N376-N397 CarbonylContact O-C 3.53Å; N376-N397 WeakPolarHBondContact O-CA 3Å; N387-N397 PolarHBondContact ND2-ND2 2.68Å; N387-N397 PolarHBondContact ND2-OD1 2.81Å; N397-G405 WeakPolarHBondContact ND2-CA 3.33Å; N397-N407 PolarHBondContact ND2-ND2 2.94Å; N397-N407 PolarHBondContact ND2-OD1 3.21Å; N397-Q416 PolarHBondContact N-O 3.11Å; N397-N417 WeakPolarHBondContact CB-OD1 3.45Å; N397-N417 PolarHBondContact ND2-OD1 2.91Å; N397-N417 CarbonylContact O-C 3.49Å; N397-N417 WeakPolarHBondContact O-CA 3.31Å; N397-Q418 PolarHBondContact O-N 3.31Å
398Q80.8Confident76.3Confident64 Ų6448.5 Ų48.530%0.29925%0.251SS..EExtended strand (participates in β ladder)trans-126.7116.5-179.2-56.7-168.218.900112.2N376 Q377 A378 Q418N376-Q398 PolarHBondContact O-N 2.88Å; Q377-Q398 CarbonylContact C-O 3.49Å; Q377-Q398 WeakPolarHBondContact CA-O 3.46Å; Q377-Q398 HydrophobicContact CG-CB 4.42Å; A378-Q398 PolarHBondContact N-O 2.9Å; Q398-Q418 CarbonylContact C-O 3.52Å; Q398-Q418 WeakPolarHBondContact CA-O 3.43Å; Q398-Q418 HydrophobicContact CG-CB 4.4Å
399A75.5Confident76.1Confident24 Ų2445.7 Ų45.720%0.19824%0.238CC..EExtended strand (participates in β ladder)trans-130.6120.1-176.300000113.1A378 Q418 G419 K420A378-A399 WeakPolarHBondContact O-CA 3.38Å; A399-Q418 PolarHBondContact N-O 3.14Å; A399-G419 WeakPolarHBondContact O-CA 3.38Å; A399-K420 PolarHBondContact O-N 3.46Å
400K71.3Confident76.1Confident107 Ų10750 Ų5047%0.46525%0.25SS..EExtended strand (participates in β ladder)trans-72.9-32179.1-65.3-175.7-177.4-176.30113.3A378 K379 K420A378-K400 PolarHBondContact O-N 3.02Å; K379-K400 HydrophobicContact CB-CD 4.49Å; K379-K400 WeakPolarHBondContact O-CB 3.31Å; K400-K420 WeakPolarHBondContact O-CB 3.37Å
401K70.1Confident76.2Confident142 Ų14247.5 Ų47.562%0.61724%0.239SC*.EExtended strand (participates in β ladder)trans-151.2142.5167.8-169.8-164.7176.6-1640106.1G381 K421G381-K401 WeakPolarHBondContact CA-O 3.48Å; G381-K401 PolarHBondContact N-O 3.15Å; K401-K421 WeakPolarHBondContact CA-O 3.48Å
402G63.6Low76.1Confident16 Ų1644.8 Ų44.817%0.16523%0.228CC..SBendtrans138.6170.4178.100000111G381 K421 G422G381-G402 WeakPolarHBondContact O-CA 3.25Å; G402-K421 PolarHBondContact N-O 2.9Å; G402-G422 WeakPolarHBondContact O-CA 3.38Å
403E61.7Low76.6Confident92 Ų9246.8 Ų46.843%0.4324%0.236SC..SBendtrans-68.3159170.9-68.8-173.1-154.800112.3E383E383-E403 HydrophobicContact CG-CB 4.32Å; E383-E403 HydrophobicContact CG-CG 4.34Å
404G65.8Low76.7Confident15 Ų1546 Ų4616%0.15524%0.241CC..PPolyproline II helixtrans-76.2147.8-165.500000114.2E423G404-E423 WeakPolarHBondContact CA-O 3.46Å; G404-E423 PolarHBondContact N-O 3.43Å
405G75.2Confident77.2Confident7 Ų744 Ų447%0.07222%0.224CC..PPolyproline II helixtrans-70.5136.8173.500000112.2A385 N397 N417 Q426A385-G405 CarbonylContact O-C 3.52Å; A385-G405 WeakPolarHBondContact O-CA 3.39Å; N397-G405 WeakPolarHBondContact ND2-CA 3.33Å; G405-N417 VanDerWaalsContact O-CG 3.27Å; G405-N417 PolarHBondContact O-ND2 2.8Å; G405-N417 PolarHBondContact O-OD1 2.73Å; G405-Q426 PolarHBondContact O-N 3.44Å
406Q83.4Confident77.4Confident55 Ų5545.9 Ų45.926%0.25723%0.232SC..EExtended strand (participates in β ladder)trans-98141.5175.8-57.3178.6-6.300110.2A385 Q386 N387 Q426A385-Q406 PolarHBondContact O-N 2.97Å; Q386-Q406 WeakPolarHBondContact CA-O 3.1Å; Q386-Q406 HydrophobicContact CG-CB 4.26Å; N387-Q406 PolarHBondContact N-O 3.28Å; Q406-Q426 WeakPolarHBondContact CA-O 3.21Å; Q406-Q426 HydrophobicContact CG-CB 4.45Å
407N84.6Confident77.4Confident1 Ų144 Ų441%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-128.4133.2169.2-55.9-85.9000109.3N387 N397 N417 Q426 K427 Q428N387-N407 PolarHBondContact ND2-OD1 3.34Å; N387-N407 CarbonylContact O-C 3.46Å; N387-N407 WeakPolarHBondContact O-CA 3.4Å; N397-N407 PolarHBondContact ND2-ND2 2.94Å; N397-N407 PolarHBondContact ND2-OD1 3.21Å; N407-N417 PolarHBondContact ND2-ND2 3.11Å; N407-N417 PolarHBondContact ND2-OD1 2.84Å; N407-Q426 PolarHBondContact N-O 2.98Å; N407-Q426 VanDerWaalsContact N-O 3.16Å; N407-K427 HydrophobicContact CB-CG 4.46Å; N407-K427 WeakPolarHBondContact O-CA 3.4Å; N407-Q428 PolarHBondContact O-N 3.34Å
408Q83.8Confident77.2Confident70 Ų7047 Ų4733%0.32724%0.237SC..EExtended strand (participates in β ladder)trans-140112.2-179.2-57.4-173.2800112.2N387 Q388 G389 Q428N387-Q408 PolarHBondContact O-N 2.82Å; Q388-Q408 CarbonylContact C-O 3.56Å; Q388-Q408 VanDerWaalsContact CA-O 3.26Å; Q388-Q408 WeakPolarHBondContact CA-O 3.27Å; Q388-Q408 HydrophobicContact CG-CB 4.5Å; G389-Q408 PolarHBondContact N-O 3.03Å; Q408-Q428 WeakPolarHBondContact CA-O 3.27Å; Q408-Q428 HydrophobicContact CG-CB 4.38Å
409T80.9Confident76.9Confident11 Ų1145.1 Ų45.17%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-138.3177.8-177.975.10000112.8G389 K411 G412 D429 K430G389-T409 WeakPolarHBondContact O-CA 3.3Å; T409-K411 PolarHBondContact OG1-O 2.84Å; T409-G412 WeakPolarHBondContact OG1-CA 3.32Å; T409-G412 PolarHBondContact OG1-N 2.93Å; T409-D429 WeakPolarHBondContact CA-OD1 3.44Å; T409-D429 VanDerWaalsContact CB-OD1 3.29Å; T409-D429 WeakPolarHBondContact CB-OD1 3.42Å; T409-D429 PolarHBondContact N-OD1 3.08Å; T409-D429 WeakPolarHBondContact O-CA 3.28Å; T409-D429 VanDerWaalsContact OG1-CG 3.27Å; T409-D429 PolarHBondContact OG1-OD1 3.12Å; T409-K430 PolarHBondContact O-N 3.05Å
410K80Confident76.7Confident114 Ų11449.2 Ų49.250%0.49625%0.249SC..EExtended strand (participates in β ladder)trans-92.8-37.6169.1-57.5-171.8-178.2-1720111.4K390 K430 K431K390-K410 HydrophobicContact CG-CD 4.41Å; K390-K410 CarbonylContact O-C 3.56Å; K390-K410 WeakPolarHBondContact O-CA 3.39Å; K390-K410 WeakPolarHBondContact O-CB 3.05Å; K390-K410 PolarHBondContact O-N 2.97Å; K410-K430 WeakPolarHBondContact O-CB 3.37Å; K410-K430 PolarHBondContact O-N 3.12Å; K410-K431 PolarHBondContact O-N 2.93Å; K410-K431 VanDerWaalsContact O-N 3.09Å
411K81.1Confident76.6Confident63 Ų6347.7 Ų47.727%0.27424%0.242SC..EExtended strand (participates in β ladder)trans-132.4125.2163.1-171.6-178.5-161.6-106.90108.8K390 K391 G392 T409 E413 K431 E433K390-K411 PolarHBondContact O-N 3.4Å; K391-K411 WeakPolarHBondContact CA-O 3.19Å; K391-K411 HydrophobicContact CG-CB 4.42Å; G392-K411 PolarHBondContact N-O 3.34Å; T409-K411 PolarHBondContact OG1-O 2.84Å; K411-E413 VanDerWaalsContact CD-OE1 3.24Å; K411-E413 WeakPolarHBondContact CD-OE1 3.4Å; K411-E413 WeakPolarHBondContact CE-OE1 3.2Å; K411-E413 IonicContact NZ-OE1 2.83Å; K411-E413 PolarHBondContact NZ-OE1 3.31Å; K411-E413 IonicContact NZ-OE2 2.62Å; K411-E413 PolarHBondContact NZ-OE2 3.17Å; K411-K431 WeakPolarHBondContact CA-O 3.48Å; K411-K431 HydrophobicContact CG-CB 4.37Å; K411-E433 WeakPolarHBondContact CE-OE1 3.41Å; K411-E433 WeakPolarHBondContact CE-OE2 3.44Å; K411-E433 IonicContact NZ-OE1 2.91Å; K411-E433 PolarHBondContact NZ-OE1 2.88Å; K411-E433 IonicContact NZ-OE2 2.6Å; K411-E433 PolarHBondContact NZ-OE2 3.23Å
412G75.7Confident76.2Confident2 Ų241.8 Ų41.82%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-122.9124.9179.200000111.5G392 T409 K431 E433G392-G412 WeakPolarHBondContact O-CA 3.47Å; T409-G412 WeakPolarHBondContact OG1-CA 3.32Å; T409-G412 PolarHBondContact OG1-N 2.93Å; G412-K431 PolarHBondContact N-O 2.81Å; G412-E433 PolarHBondContact O-N 2.83Å
413E78.7Confident76.1Confident46 Ų4645.2 Ų45.222%0.21523%0.233CC..EExtended strand (participates in β ladder)trans-116.1124.1177.7-77.6142.3-106.500110.4K391 G392 E393 A394 K411 E433K391-E413 WeakPolarHBondContact CE-OE1 3.3Å; K391-E413 IonicContact NZ-OE1 3.93Å; K391-E413 PolarHBondContact NZ-OE1 2.92Å; K391-E413 IonicContact NZ-OE2 2.84Å; K391-E413 PolarHBondContact NZ-OE2 2.81Å; K391-E413 VanDerWaalsContact NZ-OE2 3.1Å; G392-E413 PolarHBondContact O-N 2.95Å; E393-E413 WeakPolarHBondContact CA-O 3.44Å; E393-E413 HydrophobicContact CG-CB 4.35Å; A394-E413 PolarHBondContact N-O 2.81Å; K411-E413 VanDerWaalsContact CD-OE1 3.24Å; K411-E413 WeakPolarHBondContact CD-OE1 3.4Å; K411-E413 WeakPolarHBondContact CE-OE1 3.2Å; K411-E413 IonicContact NZ-OE1 2.83Å; K411-E413 PolarHBondContact NZ-OE1 3.31Å; K411-E413 IonicContact NZ-OE2 2.62Å; K411-E413 PolarHBondContact NZ-OE2 3.17Å; E413-E433 WeakPolarHBondContact CA-O 3.38Å; E413-E433 HydrophobicContact CG-CB 3.99Å
414G75.7Confident76.3Confident30 Ų3042.3 Ų42.331%0.30923%0.225SC..SBendtrans60.930.9-179.800000117.9Q416 E433G414-Q416 PolarHBondContact O-N 3.14Å; G414-E433 PolarHBondContact N-O 3.11Å
415P80.8Confident76.8Confident4 Ų442.2 Ų42.23%0.02622%0.223CC..  trans-69.8121.2-179.329.4-34.8000111.8N395 K427 A435 Q436N395-P415 HydrophobicContact CB-CB 4.48Å; N395-P415 CarbonylContact O-C 3.58Å; N395-P415 WeakPolarHBondContact O-CA 3.31Å; P415-K427 HydrophobicContact CB-CD 4.12Å; P415-K427 HydrophobicContact CG-CD 3.86Å; P415-K427 WeakPolarHBondContact O-CE 3.5Å; P415-K427 PolarHBondContact O-NZ 2.9Å; P415-A435 HydrophobicContact CG-CB 4.13Å; P415-Q436 PolarHBondContact O-N 2.62Å
416Q85.8Confident77.2Confident48 Ų4844.6 Ų44.622%0.22423%0.232CC..EExtended strand (participates in β ladder)trans-110.1137.8-176.8-59.1-165-4.900113.2N395 Q396 N397 G414 Q436N395-Q416 PolarHBondContact O-N 2.88Å; Q396-Q416 CarbonylContact C-O 3.59Å; Q396-Q416 WeakPolarHBondContact CA-O 3.34Å; Q396-Q416 HydrophobicContact CG-CB 4.33Å; N397-Q416 PolarHBondContact N-O 3.11Å; G414-Q416 PolarHBondContact O-N 3.14Å; Q416-Q436 CarbonylContact C-O 3.52Å; Q416-Q436 WeakPolarHBondContact CA-O 3.32Å; Q416-Q436 HydrophobicContact CG-CB 4.36Å
417N84.9Confident77.3Confident5 Ų542 Ų423%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-123.2129.9164.3-64-39.7000108.2N397 G405 N407 A425 Q426 K427 Q436 N437 Q438N397-N417 WeakPolarHBondContact CB-OD1 3.45Å; N397-N417 PolarHBondContact ND2-OD1 2.91Å; N397-N417 CarbonylContact O-C 3.49Å; N397-N417 WeakPolarHBondContact O-CA 3.31Å; G405-N417 VanDerWaalsContact O-CG 3.27Å; G405-N417 PolarHBondContact O-ND2 2.8Å; G405-N417 PolarHBondContact O-OD1 2.73Å; N407-N417 PolarHBondContact ND2-ND2 3.11Å; N407-N417 PolarHBondContact ND2-OD1 2.84Å; N417-A425 HydrophobicContact CB-CB 4.04Å; N417-Q426 PolarHBondContact ND2-O 3.24Å; N417-K427 PolarHBondContact ND2-NZ 2.85Å; N417-Q436 PolarHBondContact N-O 2.85Å; N417-N437 WeakPolarHBondContact CB-OD1 3.4Å; N417-N437 PolarHBondContact ND2-OD1 2.87Å; N417-N437 CarbonylContact O-C 3.54Å; N417-N437 WeakPolarHBondContact O-CA 2.91Å; N417-Q438 PolarHBondContact O-N 3.06Å
418Q82Confident77.3Confident70 Ų7045.7 Ų45.733%0.32724%0.237SC..EExtended strand (participates in β ladder)trans-131.2131.8-179.6-56-169.619.600111.8N397 Q398 A399 Q438N397-Q418 PolarHBondContact O-N 3.31Å; Q398-Q418 CarbonylContact C-O 3.52Å; Q398-Q418 WeakPolarHBondContact CA-O 3.43Å; Q398-Q418 HydrophobicContact CG-CB 4.4Å; A399-Q418 PolarHBondContact N-O 3.14Å; Q418-Q438 CarbonylContact C-O 3.59Å; Q418-Q438 WeakPolarHBondContact CA-O 3.34Å
419G73.6Confident77.2Confident26 Ų2642.7 Ų42.727%0.26822%0.223SC..EExtended strand (participates in β ladder)trans-157.5156.1176.800000117.8A399 Q438 G439 K440A399-G419 WeakPolarHBondContact O-CA 3.38Å; G419-Q438 PolarHBondContact N-O 3.44Å; G419-G439 CarbonylContact O-C 3.53Å; G419-G439 WeakPolarHBondContact O-CA 3.48Å; G419-K440 PolarHBondContact O-N 2.82Å
420K72.2Confident77.4Confident110 Ų11047.6 Ų47.648%0.47824%0.244SC..EExtended strand (participates in β ladder)trans-89.6-44.6-176.6-54-175.3179.5-1750113.1A399 K400 K440 K441A399-K420 PolarHBondContact O-N 3.46Å; K400-K420 WeakPolarHBondContact O-CB 3.37Å; K420-K440 HydrophobicContact CB-CD 4.42Å; K420-K440 WeakPolarHBondContact O-CB 3.32Å; K420-K441 PolarHBondContact O-N 2.84Å
421K68.8Low77.7Confident74 Ų7445.1 Ų45.132%0.32223%0.233SC..EExtended strand (participates in β ladder)trans-136.1129.5158.7-163.7-139.1179.1-124.30108.1K401 G402 E423 K441 E443K401-K421 WeakPolarHBondContact CA-O 3.48Å; G402-K421 PolarHBondContact N-O 2.9Å; K421-E423 IonicContact NZ-OE1 2.64Å; K421-E423 PolarHBondContact NZ-OE1 2.94Å; K421-K441 WeakPolarHBondContact CA-O 3.37Å; K421-K441 HydrophobicContact CB-CB 4.27Å; K421-K441 HydrophobicContact CG-CB 3.77Å; K421-K441 HydrophobicContact CG-CD 4.08Å; K421-E443 VanDerWaalsContact CE-OE2 3.26Å; K421-E443 WeakPolarHBondContact CE-OE2 3.35Å; K421-E443 IonicContact NZ-OE1 2.84Å; K421-E443 IonicContact NZ-OE2 2.92Å; K421-E443 PolarHBondContact NZ-OE2 2.88Å
422G62.2Low77.7Confident18 Ų1842.3 Ų42.319%0.18622%0.221CC..EExtended strand (participates in β ladder)trans-175.3146.3176.800000112.6G402 K441 E443G402-G422 WeakPolarHBondContact O-CA 3.38Å; G422-K441 PolarHBondContact N-O 2.97Å; G422-K441 VanDerWaalsContact N-O 3.11Å; G422-E443 PolarHBondContact O-N 3.25Å; G422-E443 VanDerWaalsContact O-N 3.17Å
423E62Low78.1Confident88 Ų8844 Ų4441%0.41123%0.228SC..EExtended strand (participates in β ladder)trans-92.4159.2175.7-70.1136.9-115.700110.3G404 K421 A425 E443G404-E423 WeakPolarHBondContact CA-O 3.46Å; G404-E423 PolarHBondContact N-O 3.43Å; K421-E423 IonicContact NZ-OE1 2.64Å; K421-E423 PolarHBondContact NZ-OE1 2.94Å; E423-A425 PolarHBondContact O-N 2.87Å; E423-E443 CarbonylContact C-O 3.53Å; E423-E443 VanDerWaalsContact CA-O 3.23Å; E423-E443 WeakPolarHBondContact CA-O 3.01Å; E423-E443 HydrophobicContact CG-CB 3.76Å
424A64.7Low78.3Confident31 Ų3143.4 Ų43.426%0.25624%0.235SC..  trans55.745.6162.700000118.1Q426 E443A424-Q426 PolarHBondContact O-N 2.83Å; A424-E443 PolarHBondContact N-O 2.95Å
425A76.6Confident78.8Confident14 Ų1442 Ų4212%0.11622%0.22CC..  trans-73.2109.1166.500000110.7N417 E423 T445 S446N417-A425 HydrophobicContact CB-CB 4.04Å; E423-A425 PolarHBondContact O-N 2.87Å; A425-T445 HydrophobicContact CB-CG2 3.94Å; A425-T445 CarbonylContact O-C 3.52Å; A425-T445 WeakPolarHBondContact O-CA 3.35Å; A425-S446 PolarHBondContact O-N 3.36Å
426Q84.1Confident79.2Confident56 Ų5643.8 Ų43.826%0.26223%0.228SC..EExtended strand (participates in β ladder)trans-113.2151-173.8-60.6-169.725.300113.7G405 Q406 N407 N417 A424 Q428 S446G405-Q426 PolarHBondContact O-N 3.44Å; Q406-Q426 WeakPolarHBondContact CA-O 3.21Å; Q406-Q426 HydrophobicContact CG-CB 4.45Å; N407-Q426 PolarHBondContact N-O 2.98Å; N407-Q426 VanDerWaalsContact N-O 3.16Å; N417-Q426 PolarHBondContact ND2-O 3.24Å; A424-Q426 PolarHBondContact O-N 2.83Å; Q426-Q428 VanDerWaalsContact OE1-NE2 3.09Å; Q426-S446 CarbonylContact C-O 3.5Å; Q426-S446 WeakPolarHBondContact CA-O 3.33Å
427K85.6Confident79.3Confident0 Ų041.6 Ų41.60%022%0.218CC..EExtended strand (participates in β ladder)trans-139.7131.3166.4-49.9-175-150.9-71.20110.2N407 P415 N417 A435 Q436 N437 S446 N447 Q448N407-K427 HydrophobicContact CB-CG 4.46Å; N407-K427 WeakPolarHBondContact O-CA 3.4Å; P415-K427 HydrophobicContact CB-CD 4.12Å; P415-K427 HydrophobicContact CG-CD 3.86Å; P415-K427 WeakPolarHBondContact O-CE 3.5Å; P415-K427 PolarHBondContact O-NZ 2.9Å; N417-K427 PolarHBondContact ND2-NZ 2.85Å; K427-A435 HydrophobicContact CD-CB 3.64Å; K427-Q436 VanDerWaalsContact CE-O 3.27Å; K427-Q436 WeakPolarHBondContact CE-O 3.41Å; K427-Q436 PolarHBondContact NZ-O 3.39Å; K427-N437 WeakPolarHBondContact CE-OD1 3.44Å; K427-N437 PolarHBondContact NZ-OD1 2.88Å; K427-S446 PolarHBondContact N-O 3.42Å; K427-N447 VanDerWaalsContact CD-OD1 3.3Å; K427-N447 WeakPolarHBondContact CD-OD1 3.45Å; K427-N447 VanDerWaalsContact CE-OD1 3.27Å; K427-N447 WeakPolarHBondContact CE-OD1 3.44Å; K427-N447 WeakPolarHBondContact CG-OD1 3.35Å; K427-Q448 PolarHBondContact O-N 2.91Å
428Q84.2Confident79.3Confident80 Ų8044.5 Ų44.537%0.37423%0.231SC..EExtended strand (participates in β ladder)trans-13594-178.2-57.1-173.117.500110.4N407 Q408 Q426 Q448N407-Q428 PolarHBondContact O-N 3.34Å; Q408-Q428 WeakPolarHBondContact CA-O 3.27Å; Q408-Q428 HydrophobicContact CG-CB 4.38Å; Q426-Q428 VanDerWaalsContact OE1-NE2 3.09Å; Q428-Q448 WeakPolarHBondContact CA-O 3.23Å
429D82.6Confident79.1Confident6 Ų642 Ų423%0.03222%0.224CC..EExtended strand (participates in β ladder)trans-126.3148.9-177.1-45.3-70.7000112.3T409 I432 Q448 G449T409-D429 WeakPolarHBondContact CA-OD1 3.44Å; T409-D429 VanDerWaalsContact CB-OD1 3.29Å; T409-D429 WeakPolarHBondContact CB-OD1 3.42Å; T409-D429 PolarHBondContact N-OD1 3.08Å; T409-D429 WeakPolarHBondContact O-CA 3.28Å; T409-D429 VanDerWaalsContact OG1-CG 3.27Å; T409-D429 PolarHBondContact OG1-OD1 3.12Å; D429-I432 HydrophobicContact CB-CG1 3.66Å; D429-Q448 PolarHBondContact N-O 2.89Å; D429-Q448 VanDerWaalsContact N-O 3.13Å; D429-G449 WeakPolarHBondContact O-CA 3.35Å
430K84.4Confident79.4Confident115 Ų11546 Ų4650%0.524%0.235SC..EExtended strand (participates in β ladder)trans-69.4-38.5178.4-58.8-172.6-179.6-172.30112.1T409 K410 K450 K451T409-K430 PolarHBondContact O-N 3.05Å; K410-K430 WeakPolarHBondContact O-CB 3.37Å; K410-K430 PolarHBondContact O-N 3.12Å; K430-K450 WeakPolarHBondContact O-CB 3.24Å; K430-K450 PolarHBondContact O-N 2.89Å; K430-K450 VanDerWaalsContact O-N 3.16Å; K430-K451 PolarHBondContact O-N 2.84Å
431K85.8Confident79.6Confident62 Ų6245.1 Ų45.127%0.2723%0.231SC..EExtended strand (participates in β ladder)trans-123.6127.5161.2-171.6-179.4-177.8-141.30109.3K410 K411 G412 E433 K451K410-K431 PolarHBondContact O-N 2.93Å; K410-K431 VanDerWaalsContact O-N 3.09Å; K411-K431 WeakPolarHBondContact CA-O 3.48Å; K411-K431 HydrophobicContact CG-CB 4.37Å; G412-K431 PolarHBondContact N-O 2.81Å; K431-E433 WeakPolarHBondContact CD-OE1 3.49Å; K431-E433 VanDerWaalsContact CE-CD 3.47Å; K431-E433 WeakPolarHBondContact CE-OE1 3.12Å; K431-E433 VanDerWaalsContact CG-OE1 3.25Å; K431-E433 WeakPolarHBondContact CG-OE1 3.34Å; K431-E433 IonicContact NZ-OE1 2.81Å; K431-E433 PolarHBondContact NZ-OE1 3.29Å; K431-E433 IonicContact NZ-OE2 2.65Å; K431-E433 PolarHBondContact NZ-OE2 3.11Å; K431-K451 WeakPolarHBondContact CA-O 3.39Å; K431-K451 HydrophobicContact CB-CB 4.37Å; K431-K451 HydrophobicContact CG-CB 3.95Å
432I81.2Confident79.8Confident4 Ų442.4 Ų42.42%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-108.6130.2174.1-61.9173.2000109.1D429 A435 N447 Q448 K451 G452 E453D429-I432 HydrophobicContact CB-CG1 3.66Å; I432-A435 HydrophobicContact CG2-CB 3.35Å; I432-N447 HydrophobicContact CD1-CB 4.47Å; I432-Q448 WeakPolarHBondContact CD1-O 3.35Å; I432-K451 PolarHBondContact N-O 2.9Å; I432-G452 CarbonylContact O-C 3.57Å; I432-G452 WeakPolarHBondContact O-CA 3.45Å; I432-E453 PolarHBondContact O-N 3.29Å
433E83.6Confident80.3Confident37 Ų3743.1 Ų43.117%0.17322%0.219CC..EExtended strand (participates in β ladder)trans-125.4124.8166.2-81.2130.5-89.400109.8K411 G412 E413 G414 K431 A435 E453K411-E433 WeakPolarHBondContact CE-OE1 3.41Å; K411-E433 WeakPolarHBondContact CE-OE2 3.44Å; K411-E433 IonicContact NZ-OE1 2.91Å; K411-E433 PolarHBondContact NZ-OE1 2.88Å; K411-E433 IonicContact NZ-OE2 2.6Å; K411-E433 PolarHBondContact NZ-OE2 3.23Å; G412-E433 PolarHBondContact O-N 2.83Å; E413-E433 WeakPolarHBondContact CA-O 3.38Å; E413-E433 HydrophobicContact CG-CB 3.99Å; G414-E433 PolarHBondContact N-O 3.11Å; K431-E433 WeakPolarHBondContact CD-OE1 3.49Å; K431-E433 VanDerWaalsContact CE-CD 3.47Å; K431-E433 WeakPolarHBondContact CE-OE1 3.12Å; K431-E433 VanDerWaalsContact CG-OE1 3.25Å; K431-E433 WeakPolarHBondContact CG-OE1 3.34Å; K431-E433 IonicContact NZ-OE1 2.81Å; K431-E433 PolarHBondContact NZ-OE1 3.29Å; K431-E433 IonicContact NZ-OE2 2.65Å; K431-E433 PolarHBondContact NZ-OE2 3.11Å; E433-A435 PolarHBondContact O-N 2.63Å; E433-E453 HydrophobicContact CG-CB 4.46Å
434G83Confident80.9Confident34 Ų3440.8 Ų40.835%0.35122%0.219SC..SBendtrans65.628.8170.400000115.7Q436 E453G434-Q436 PolarHBondContact O-N 2.83Å; G434-E453 PolarHBondContact N-O 3.5Å
435A87.4Confident81.9Confident0 Ų039.6 Ų39.60%021%0.208CC..  trans-62.5131176.900000112.3P415 K427 I432 E433 A455 Q456P415-A435 HydrophobicContact CG-CB 4.13Å; K427-A435 HydrophobicContact CD-CB 3.64Å; I432-A435 HydrophobicContact CG2-CB 3.35Å; E433-A435 PolarHBondContact O-N 2.63Å; A435-A455 HydrophobicContact CB-CB 4.41Å; A435-A455 CarbonylContact O-C 3.56Å; A435-A455 WeakPolarHBondContact O-CA 3.32Å; A435-Q456 PolarHBondContact O-N 2.81Å
436Q88.3Confident82.4Confident42 Ų4239.3 Ų39.320%0.19621%0.205CC..EExtended strand (participates in β ladder)trans-127.6131.9176.6-63.1-173.4-24.700113P415 Q416 N417 K427 G434 Q456P415-Q436 PolarHBondContact O-N 2.62Å; Q416-Q436 CarbonylContact C-O 3.52Å; Q416-Q436 WeakPolarHBondContact CA-O 3.32Å; Q416-Q436 HydrophobicContact CG-CB 4.36Å; N417-Q436 PolarHBondContact N-O 2.85Å; K427-Q436 VanDerWaalsContact CE-O 3.27Å; K427-Q436 WeakPolarHBondContact CE-O 3.41Å; K427-Q436 PolarHBondContact NZ-O 3.39Å; G434-Q436 PolarHBondContact O-N 2.83Å; Q436-Q456 CarbonylContact C-O 3.59Å; Q436-Q456 WeakPolarHBondContact CA-O 2.99Å; Q436-Q456 HydrophobicContact CG-CB 4.37Å
437N87.3Confident82.6Confident2 Ų236.8 Ų36.81%0.01119%0.193CC..EExtended strand (participates in β ladder)trans-118125163.1-57.5-53.9000108.5N417 K427 T445 N447 Q456 N457 Q458N417-N437 WeakPolarHBondContact CB-OD1 3.4Å; N417-N437 PolarHBondContact ND2-OD1 2.87Å; N417-N437 CarbonylContact O-C 3.54Å; N417-N437 WeakPolarHBondContact O-CA 2.91Å; K427-N437 WeakPolarHBondContact CE-OD1 3.44Å; K427-N437 PolarHBondContact NZ-OD1 2.88Å; N437-T445 HydrophobicContact CB-CG2 4.27Å; N437-N447 PolarHBondContact ND2-ND2 3.38Å; N437-N447 PolarHBondContact ND2-OD1 2.86Å; N437-Q456 PolarHBondContact N-O 2.91Å; N437-N457 WeakPolarHBondContact CB-OD1 3.39Å; N437-N457 PolarHBondContact ND2-OD1 2.84Å; N437-N457 CarbonylContact O-C 3.54Å; N437-N457 WeakPolarHBondContact O-CA 3.36Å; N437-Q458 PolarHBondContact O-N 3.43Å
438Q85.1Confident82.7Confident65 Ų6539.7 Ų39.730%0.30421%0.207SC..EExtended strand (participates in β ladder)trans-131.3138.9-177.9-56.8-169.421.400112.2N417 Q418 G419 Q458N417-Q438 PolarHBondContact O-N 3.06Å; Q418-Q438 CarbonylContact C-O 3.59Å; Q418-Q438 WeakPolarHBondContact CA-O 3.34Å; G419-Q438 PolarHBondContact N-O 3.44Å; Q438-Q458 CarbonylContact C-O 3.54Å; Q438-Q458 WeakPolarHBondContact CA-O 3.27Å; Q438-Q458 HydrophobicContact CG-CB 4.35Å
439G79Confident82.8Confident18 Ų1836.9 Ų36.919%0.18620%0.2CC..EExtended strand (participates in β ladder)trans-163.5172.8171.100000118G419 Q458 G459 K460G419-G439 CarbonylContact O-C 3.53Å; G419-G439 WeakPolarHBondContact O-CA 3.48Å; G439-Q458 PolarHBondContact N-O 2.97Å; G439-G459 WeakPolarHBondContact O-CA 3.45Å; G439-K460 PolarHBondContact O-N 2.91Å
440K79.6Confident82.9Confident111 Ų11142.2 Ų42.248%0.48322%0.222SC..EExtended strand (participates in β ladder)trans-80.2-47.8168.6-55-174.1177.9-171.30110.3G419 K420 K460 K461G419-K440 PolarHBondContact O-N 2.82Å; K420-K440 HydrophobicContact CB-CD 4.42Å; K420-K440 WeakPolarHBondContact O-CB 3.32Å; K440-K460 HydrophobicContact CG-CD 4.45Å; K440-K460 WeakPolarHBondContact O-CB 3.34Å; K440-K460 PolarHBondContact O-N 3.06Å; K440-K461 PolarHBondContact O-N 3.48Å
441K77.2Confident83Confident91 Ų9142.7 Ų42.740%0.39623%0.225SC..EExtended strand (participates in β ladder)trans-124.486.9168.3-79.3-165165.4-145.30111K420 K421 G422 K461K420-K441 PolarHBondContact O-N 2.84Å; K421-K441 WeakPolarHBondContact CA-O 3.37Å; K421-K441 HydrophobicContact CB-CB 4.27Å; K421-K441 HydrophobicContact CG-CB 3.77Å; K421-K441 HydrophobicContact CG-CD 4.08Å; G422-K441 PolarHBondContact N-O 2.97Å; G422-K441 VanDerWaalsContact N-O 3.11Å; K441-K461 VanDerWaalsContact CA-O 3.31Å; K441-K461 WeakPolarHBondContact CA-O 3.4Å; K441-K461 HydrophobicContact CG-CB 4.39Å
442P73.1Confident82.8Confident16 Ų1640.5 Ų40.510%0.10422%0.219CC..EExtended strand (participates in β ladder)trans-90.5124.3165.532.6-25.5000110.1T445 K461 G462 E463P442-T445 HydrophobicContact CB-CG2 3.67Å; P442-K461 WeakPolarHBondContact CD-O 3.36Å; P442-G462 WeakPolarHBondContact O-CA 3.42Å; P442-E463 PolarHBondContact O-N 2.77Å
443E72.6Confident83Confident34 Ų3444.8 Ų44.816%0.15924%0.239CC..EExtended strand (participates in β ladder)trans-116.7125.5177-73.8140.5-137.800106.8K421 G422 E423 A424K421-E443 VanDerWaalsContact CE-OE2 3.26Å; K421-E443 WeakPolarHBondContact CE-OE2 3.35Å; K421-E443 IonicContact NZ-OE1 2.84Å; K421-E443 IonicContact NZ-OE2 2.92Å; K421-E443 PolarHBondContact NZ-OE2 2.88Å; G422-E443 PolarHBondContact O-N 3.25Å; G422-E443 VanDerWaalsContact O-N 3.17Å; E423-E443 CarbonylContact C-O 3.53Å; E423-E443 VanDerWaalsContact CA-O 3.23Å; E423-E443 WeakPolarHBondContact CA-O 3.01Å; E423-E443 HydrophobicContact CG-CB 3.76Å; A424-E443 PolarHBondContact N-O 2.95Å
444G73.6Confident83Confident39 Ų3944.3 Ų44.340%0.40224%0.244SC..SBendtrans68.636.8174.700000117.8E463 G464G444-E463 PolarHBondContact N-O 2.92Å; G444-G464 WeakPolarHBondContact CA-O 2.9Å
445T85.1Confident83.2Confident6 Ų643.1 Ų43.14%0.03723%0.231CC..  trans-80.5126.6-178.963.10000112.4A425 N437 P442 A465 Q466A425-T445 HydrophobicContact CB-CG2 3.94Å; A425-T445 CarbonylContact O-C 3.52Å; A425-T445 WeakPolarHBondContact O-CA 3.35Å; N437-T445 HydrophobicContact CB-CG2 4.27Å; P442-T445 HydrophobicContact CB-CG2 3.67Å; T445-A465 CarbonylContact O-C 3.55Å; T445-A465 WeakPolarHBondContact O-CA 3.35Å; T445-Q466 PolarHBondContact O-N 2.91Å
446S87.8Confident83.4Confident8 Ų845.1 Ų45.16%0.05624%0.24CC..EExtended strand (participates in β ladder)trans-131.6127.7-172.7-158.90000112.9A425 Q426 K427 Q448 Q466A425-S446 PolarHBondContact O-N 3.36Å; Q426-S446 CarbonylContact C-O 3.5Å; Q426-S446 WeakPolarHBondContact CA-O 3.33Å; K427-S446 PolarHBondContact N-O 3.42Å; S446-Q448 PolarHBondContact OG-NE2 2.83Å; S446-Q448 VanDerWaalsContact OG-NE2 3.1Å; S446-Q466 WeakPolarHBondContact CA-O 3.41Å; S446-Q466 PolarHBondContact OG-OE1 2.79Å
447N88.6Confident83.4Confident2 Ų243.3 Ų43.31%0.01123%0.232CC..EExtended strand (participates in β ladder)trans-111.9121.8169.8-55.8-56.6000109.4K427 I432 N437 A455 N457 Q466 N467 Q468K427-N447 VanDerWaalsContact CD-OD1 3.3Å; K427-N447 WeakPolarHBondContact CD-OD1 3.45Å; K427-N447 VanDerWaalsContact CE-OD1 3.27Å; K427-N447 WeakPolarHBondContact CE-OD1 3.44Å; K427-N447 WeakPolarHBondContact CG-OD1 3.35Å; I432-N447 HydrophobicContact CD1-CB 4.47Å; N437-N447 PolarHBondContact ND2-ND2 3.38Å; N437-N447 PolarHBondContact ND2-OD1 2.86Å; N447-A455 HydrophobicContact CB-CB 4.37Å; N447-N457 PolarHBondContact ND2-OD1 3.22Å; N447-Q466 PolarHBondContact N-O 2.95Å; N447-N467 PolarHBondContact ND2-OD1 3.38Å; N447-N467 CarbonylContact O-C 3.56Å; N447-N467 WeakPolarHBondContact O-CA 3.41Å; N447-Q468 PolarHBondContact O-N 3.19Å
448Q88.1Confident83.4Confident62 Ų6246.2 Ų46.229%0.2925%0.245SC..EExtended strand (participates in β ladder)trans-131.8133.9-173.7-54.5-1718.600112.5K427 Q428 D429 I432 S446 Q468K427-Q448 PolarHBondContact O-N 2.91Å; Q428-Q448 WeakPolarHBondContact CA-O 3.23Å; D429-Q448 PolarHBondContact N-O 2.89Å; D429-Q448 VanDerWaalsContact N-O 3.13Å; I432-Q448 WeakPolarHBondContact CD1-O 3.35Å; S446-Q448 PolarHBondContact OG-NE2 2.83Å; S446-Q448 VanDerWaalsContact OG-NE2 3.1Å; Q448-Q468 WeakPolarHBondContact CA-O 3.32Å; Q448-Q468 HydrophobicContact CG-CB 4.24Å; Q448-Q468 HydrophobicContact CG-CG 4.5Å
449G84.6Confident83.1Confident21 Ų2143.8 Ų43.822%0.21624%0.238CC..EExtended strand (participates in β ladder)trans-163.3-178.4178.500000116.8D429 Q468 S469D429-G449 WeakPolarHBondContact O-CA 3.35Å; G449-Q468 PolarHBondContact N-O 2.83Å; G449-S469 WeakPolarHBondContact O-CA 3.37Å
450K86.6Confident83.2Confident117 Ų11748.4 Ų48.451%0.50925%0.253SS..EExtended strand (participates in β ladder)trans-87.8-45.2171.4-63.2-170.4179.9-171.80111.1K430 K470 K471K430-K450 WeakPolarHBondContact O-CB 3.24Å; K430-K450 PolarHBondContact O-N 2.89Å; K430-K450 VanDerWaalsContact O-N 3.16Å; K450-K470 WeakPolarHBondContact O-CA 3.47Å; K450-K470 VanDerWaalsContact O-CB 3.3Å; K450-K470 WeakPolarHBondContact O-CB 3.44Å; K450-K470 PolarHBondContact O-N 2.82Å; K450-K470 VanDerWaalsContact O-N 3.11Å; K450-K471 PolarHBondContact O-N 3.38Å
451K85.9Confident83.1Confident126 Ų12648.7 Ų48.755%0.54825%0.254SS..EExtended strand (participates in β ladder)trans-117.6137.4166.9-69.1-175.7178.8-175.40108.4K430 K431 I432 K471K430-K451 PolarHBondContact O-N 2.84Å; K431-K451 WeakPolarHBondContact CA-O 3.39Å; K431-K451 HydrophobicContact CB-CB 4.37Å; K431-K451 HydrophobicContact CG-CB 3.95Å; I432-K451 PolarHBondContact N-O 2.9Å; K451-K471 CarbonylContact C-O 3.59Å; K451-K471 WeakPolarHBondContact CA-O 3.3Å
452G81.8Confident82.7Confident15 Ų1544.8 Ų44.816%0.15524%0.24CC..EExtended strand (participates in β ladder)trans-145.6136.7177.100000112.3I432 K471 G472 E473I432-G452 CarbonylContact O-C 3.57Å; I432-G452 WeakPolarHBondContact O-CA 3.45Å; G452-K471 PolarHBondContact N-O 3.36Å; G452-G472 CarbonylContact O-C 3.57Å; G452-G472 VanDerWaalsContact O-CA 3.31Å; G452-G472 WeakPolarHBondContact O-CA 3.31Å; G452-E473 PolarHBondContact O-N 3.26Å
453E84.9Confident82.7Confident95 Ų9547.8 Ų47.844%0.44425%0.253SS..EExtended strand (participates in β ladder)trans-140.1126.5-172.1-165.3177.3144.600109.5I432 E433 G434 A455 E473I432-E453 PolarHBondContact O-N 3.29Å; E433-E453 HydrophobicContact CG-CB 4.46Å; G434-E453 PolarHBondContact N-O 3.5Å; E453-A455 PolarHBondContact O-N 2.98Å; E453-E473 CarbonylContact C-O 3.59Å; E453-E473 WeakPolarHBondContact CA-O 3.39Å; E453-E473 HydrophobicContact CG-CB 4.43Å
454G83.2Confident82.7Confident27 Ų2747.6 Ų47.628%0.27826%0.26SS..SBendtrans6433.1176.800000115.1Q456 E473G454-Q456 PolarHBondContact O-N 3.22Å; G454-E473 PolarHBondContact N-O 2.81Å
455A88.4Confident83.3Confident8 Ų846.6 Ų46.67%0.06625%0.248CC..  trans-76.1120178.500000111.4A435 N447 E453 A475 Q476A435-A455 HydrophobicContact CB-CB 4.41Å; A435-A455 CarbonylContact O-C 3.56Å; A435-A455 WeakPolarHBondContact O-CA 3.32Å; N447-A455 HydrophobicContact CB-CB 4.37Å; E453-A455 PolarHBondContact O-N 2.98Å; A455-A475 CarbonylContact O-C 3.55Å; A455-A475 WeakPolarHBondContact O-CA 3.25Å; A455-Q476 PolarHBondContact O-N 3.44Å
456Q90Very high83.5Confident43 Ų4348.9 Ų48.920%0.20126%0.258CS..EExtended strand (participates in β ladder)trans-124127.8-173.5-59.2-177.4-47.100113A435 Q436 N437 G454 Q476A435-Q456 PolarHBondContact O-N 2.81Å; Q436-Q456 CarbonylContact C-O 3.59Å; Q436-Q456 WeakPolarHBondContact CA-O 2.99Å; Q436-Q456 HydrophobicContact CG-CB 4.37Å; N437-Q456 PolarHBondContact N-O 2.91Å; G454-Q456 PolarHBondContact O-N 3.22Å; Q456-Q476 CarbonylContact C-O 3.5Å; Q456-Q476 WeakPolarHBondContact CA-O 3.46Å; Q456-Q476 HydrophobicContact CG-CB 4.28Å
457N88.9Confident83.6Confident4 Ų448.8 Ų48.82%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-113.4127.3169-58.3-47.2000109.5N437 N447 A465 Q466 N467 Q476 N477 Q478N437-N457 WeakPolarHBondContact CB-OD1 3.39Å; N437-N457 PolarHBondContact ND2-OD1 2.84Å; N437-N457 CarbonylContact O-C 3.54Å; N437-N457 WeakPolarHBondContact O-CA 3.36Å; N447-N457 PolarHBondContact ND2-OD1 3.22Å; N457-A465 HydrophobicContact CB-CB 3.99Å; N457-Q466 PolarHBondContact ND2-O 2.77Å; N457-N467 PolarHBondContact ND2-ND2 2.91Å; N457-N467 PolarHBondContact ND2-OD1 2.99Å; N457-N467 VanDerWaalsContact ND2-OD1 3.14Å; N457-Q476 PolarHBondContact N-O 2.79Å; N457-N477 WeakPolarHBondContact CB-OD1 3.35Å; N457-N477 PolarHBondContact ND2-OD1 3.19Å; N457-N477 CarbonylContact O-C 3.53Å; N457-N477 WeakPolarHBondContact O-CA 3.49Å; N457-Q478 PolarHBondContact O-N 3.48Å
458Q86.6Confident83.6Confident62 Ų6251.5 Ų51.529%0.2927%0.27SS..EExtended strand (participates in β ladder)trans-131.5131.6-176.4-56.9-167.913.700113.6N437 Q438 G439 Q478N437-Q458 PolarHBondContact O-N 3.43Å; Q438-Q458 CarbonylContact C-O 3.54Å; Q438-Q458 WeakPolarHBondContact CA-O 3.27Å; Q438-Q458 HydrophobicContact CG-CB 4.35Å; G439-Q458 PolarHBondContact N-O 2.97Å; Q458-Q478 CarbonylContact C-O 3.56Å; Q458-Q478 WeakPolarHBondContact CA-O 3.31Å; Q458-Q478 HydrophobicContact CG-CB 4.33Å
459G80.7Confident83.6Confident15 Ų1549.8 Ų49.816%0.15527%0.265CS..  trans-139158.8-174.900000115.5G439 Q478 A479 K480G439-G459 WeakPolarHBondContact O-CA 3.45Å; G459-Q478 PolarHBondContact N-O 2.92Å; G459-A479 WeakPolarHBondContact O-CA 3.4Å; G459-K480 PolarHBondContact O-N 2.85Å
460K80.6Confident83.7Confident114 Ų11454.1 Ų54.150%0.49628%0.278SS..SBendtrans-95.4-45.3164.6-62.9-168-178.9-1690112.1G439 K440 K480 K481G439-K460 PolarHBondContact O-N 2.91Å; K440-K460 HydrophobicContact CG-CD 4.45Å; K440-K460 WeakPolarHBondContact O-CB 3.34Å; K440-K460 PolarHBondContact O-N 3.06Å; K460-K480 WeakPolarHBondContact O-CB 3.44Å; K460-K480 PolarHBondContact O-N 2.87Å; K460-K481 PolarHBondContact O-N 3.47Å
461K76.8Confident83.7Confident117 Ų11752.3 Ų52.351%0.50927%0.27SS..EExtended strand (participates in β ladder)trans-128.8113160.3-64.4-167.9175.9-1710105.4K440 K441 P442 K481K440-K461 PolarHBondContact O-N 3.48Å; K441-K461 VanDerWaalsContact CA-O 3.31Å; K441-K461 WeakPolarHBondContact CA-O 3.4Å; K441-K461 HydrophobicContact CG-CB 4.39Å; P442-K461 WeakPolarHBondContact CD-O 3.36Å; K461-K481 VanDerWaalsContact CA-O 3.26Å; K461-K481 WeakPolarHBondContact CA-O 3.32Å; K461-K481 HydrophobicContact CG-CB 4.3Å
462G69Low83.5Confident10 Ų1046.8 Ų46.810%0.10325%0.248CC..EExtended strand (participates in β ladder)trans-146.5144-174.700000112.6P442 K481 G482 E483P442-G462 WeakPolarHBondContact O-CA 3.42Å; G462-K481 PolarHBondContact N-O 3.19Å; G462-G482 WeakPolarHBondContact O-CA 3.3Å; G462-E483 PolarHBondContact O-N 2.86Å
463E72.5Confident83.6Confident78 Ų7849.8 Ų49.836%0.36426%0.258SS..EExtended strand (participates in β ladder)trans-133.3139.2-169.3-76.7127.8-130.300110P442 G444 E483P442-E463 PolarHBondContact O-N 2.77Å; G444-E463 PolarHBondContact N-O 2.92Å; E463-E483 WeakPolarHBondContact CA-O 3.18Å; E463-E483 HydrophobicContact CG-CB 4.31Å
464G73.2Confident83.5Confident30 Ų3046.3 Ų46.331%0.30925%0.248SC..  trans68.741.2174.300000115.4G444 E483 G484G444-G464 WeakPolarHBondContact CA-O 2.9Å; G464-E483 PolarHBondContact N-O 3.31Å; G464-E483 VanDerWaalsContact N-O 3.11Å; G464-G484 WeakPolarHBondContact CA-O 3.3Å
465A86.1Confident83.7Confident19 Ų1945.8 Ų45.816%0.15724%0.241CC..  trans-82.3117.5178.100000111.3T445 N457 N477 G484 G485 Q486T445-A465 CarbonylContact O-C 3.55Å; T445-A465 WeakPolarHBondContact O-CA 3.35Å; N457-A465 HydrophobicContact CB-CB 3.99Å; A465-N477 HydrophobicContact CB-CB 4.4Å; A465-G484 PolarHBondContact N-O 2.87Å; A465-G485 CarbonylContact O-C 3.41Å; A465-Q486 PolarHBondContact O-N 3.42Å
466Q89.2Confident83.8Confident53 Ų5347.2 Ų47.225%0.24825%0.247CC..EExtended strand (participates in β ladder)trans-118.1140.7-173.4-64.5-172.9-24.200113.5T445 S446 N447 N457 Q486T445-Q466 PolarHBondContact O-N 2.91Å; S446-Q466 WeakPolarHBondContact CA-O 3.41Å; S446-Q466 PolarHBondContact OG-OE1 2.79Å; N447-Q466 PolarHBondContact N-O 2.95Å; N457-Q466 PolarHBondContact ND2-O 2.77Å; Q466-Q486 CarbonylContact C-O 3.49Å; Q466-Q486 WeakPolarHBondContact CA-O 3.26Å; Q466-Q486 HydrophobicContact CG-CB 4.27Å
467N90.2Very high83.7Confident7 Ų745.5 Ų45.54%0.03724%0.239CC..EExtended strand (participates in β ladder)trans-128.3125162.5-58.8-60.7000109.5N447 N457 A475 N477 Q486 N487 Q488N447-N467 PolarHBondContact ND2-OD1 3.38Å; N447-N467 CarbonylContact O-C 3.56Å; N447-N467 WeakPolarHBondContact O-CA 3.41Å; N457-N467 PolarHBondContact ND2-ND2 2.91Å; N457-N467 PolarHBondContact ND2-OD1 2.99Å; N457-N467 VanDerWaalsContact ND2-OD1 3.14Å; N467-A475 HydrophobicContact CB-CB 4.01Å; N467-N477 PolarHBondContact ND2-OD1 2.93Å; N467-N477 VanDerWaalsContact ND2-OD1 3.11Å; N467-Q486 PolarHBondContact N-O 2.87Å; N467-N487 WeakPolarHBondContact CB-OD1 3.31Å; N467-N487 PolarHBondContact ND2-OD1 2.99Å; N467-N487 CarbonylContact O-C 3.56Å; N467-N487 WeakPolarHBondContact O-CA 2.99Å; N467-Q488 PolarHBondContact O-N 2.91Å
468Q88.8Confident83.6Confident59 Ų5948.3 Ų48.328%0.27625%0.252SS..EExtended strand (participates in β ladder)trans-128.7133.9-178.5-55.1-169.816.600112.2N447 Q448 G449 Q488N447-Q468 PolarHBondContact O-N 3.19Å; Q448-Q468 WeakPolarHBondContact CA-O 3.32Å; Q448-Q468 HydrophobicContact CG-CB 4.24Å; Q448-Q468 HydrophobicContact CG-CG 4.5Å; G449-Q468 PolarHBondContact N-O 2.83Å; Q468-Q488 CarbonylContact C-O 3.56Å; Q468-Q488 WeakPolarHBondContact CA-O 3.2Å; Q468-Q488 HydrophobicContact CG-CB 4.36Å
469S88Confident83.4Confident26 Ų2646.5 Ų46.518%0.18225%0.248CC..  trans-150.1167.4-175.968.70000114.4G449 K471 G472 Q488 A489G449-S469 WeakPolarHBondContact O-CA 3.37Å; S469-K471 WeakPolarHBondContact CB-O 3.39Å; S469-G472 VanDerWaalsContact OG-CA 3.25Å; S469-G472 WeakPolarHBondContact OG-CA 3.37Å; S469-G472 PolarHBondContact OG-N 3.44Å; S469-Q488 PolarHBondContact N-O 2.89Å; S469-Q488 PolarHBondContact OG-O 2.83Å; S469-A489 WeakPolarHBondContact O-CA 3.44Å
470K86.1Confident83.3Confident112 Ų11251 Ų5149%0.48726%0.263SS..SBendtrans-93.8-51.3163.3-60-173.1-179.9-172.60111.3K450 K490 K491K450-K470 WeakPolarHBondContact O-CA 3.47Å; K450-K470 VanDerWaalsContact O-CB 3.3Å; K450-K470 WeakPolarHBondContact O-CB 3.44Å; K450-K470 PolarHBondContact O-N 2.82Å; K450-K470 VanDerWaalsContact O-N 3.11Å; K470-K490 WeakPolarHBondContact O-CA 3.39Å; K470-K490 WeakPolarHBondContact O-CB 3.35Å; K470-K490 PolarHBondContact O-N 2.91Å; K470-K490 VanDerWaalsContact O-N 3.13Å; K470-K491 PolarHBondContact O-N 3.06Å
471K86.7Confident83Confident79 Ų7949 Ų4934%0.34325%0.254SS..EExtended strand (participates in β ladder)trans-107.1126.6155.9-164.2-152.6174.1-151.20108.4K450 K451 G452 S469 E473 K491K450-K471 PolarHBondContact O-N 3.38Å; K451-K471 CarbonylContact C-O 3.59Å; K451-K471 WeakPolarHBondContact CA-O 3.3Å; G452-K471 PolarHBondContact N-O 3.36Å; S469-K471 WeakPolarHBondContact CB-O 3.39Å; K471-E473 IonicContact NZ-OE2 2.61Å; K471-E473 PolarHBondContact NZ-OE2 3.44Å; K471-K491 CarbonylContact C-O 3.55Å; K471-K491 VanDerWaalsContact CA-O 3.31Å; K471-K491 WeakPolarHBondContact CA-O 3.2Å; K471-K491 HydrophobicContact CG-CB 4.39Å
472G81.5Confident82.5Confident9 Ų943.8 Ų43.89%0.09323%0.234CC..EExtended strand (participates in β ladder)trans-126.3146.4177.500000111.9G452 S469 K491 G492 E493G452-G472 CarbonylContact O-C 3.57Å; G452-G472 VanDerWaalsContact O-CA 3.31Å; G452-G472 WeakPolarHBondContact O-CA 3.31Å; S469-G472 VanDerWaalsContact OG-CA 3.25Å; S469-G472 WeakPolarHBondContact OG-CA 3.37Å; S469-G472 PolarHBondContact OG-N 3.44Å; G472-K491 PolarHBondContact N-O 3.4Å; G472-G492 WeakPolarHBondContact O-CA 3.38Å; G472-E493 PolarHBondContact O-N 3.27Å
473E84.1Confident82.4Confident78 Ų7846.3 Ų46.336%0.36424%0.243SC..EExtended strand (participates in β ladder)trans-146.3132.4177.3-160.2161.3156.200110.6G452 E453 G454 K471 A475 E493G452-E473 PolarHBondContact O-N 3.26Å; E453-E473 CarbonylContact C-O 3.59Å; E453-E473 WeakPolarHBondContact CA-O 3.39Å; E453-E473 HydrophobicContact CG-CB 4.43Å; G454-E473 PolarHBondContact N-O 2.81Å; K471-E473 IonicContact NZ-OE2 2.61Å; K471-E473 PolarHBondContact NZ-OE2 3.44Å; E473-A475 PolarHBondContact O-N 2.86Å; E473-E493 CarbonylContact C-O 3.55Å; E473-E493 VanDerWaalsContact CA-O 3.3Å; E473-E493 WeakPolarHBondContact CA-O 3.27Å; E473-E493 HydrophobicContact CG-CB 4.23Å
474G82.7Confident82.2Confident23 Ų2343.5 Ų43.524%0.23724%0.235CC..SBendtrans62.533.2174.600000115.3E493G474-E493 PolarHBondContact N-O 3.37Å
475A88.5Confident82.5Confident15 Ų1542.8 Ų42.812%0.12423%0.228CC..  trans-73.5126.6176.400000111A455 N467 E473 A495 Q496A455-A475 CarbonylContact O-C 3.55Å; A455-A475 WeakPolarHBondContact O-CA 3.25Å; N467-A475 HydrophobicContact CB-CB 4.01Å; E473-A475 PolarHBondContact O-N 2.86Å; A475-A495 CarbonylContact O-C 3.58Å; A475-A495 WeakPolarHBondContact O-CA 3.37Å; A475-Q496 PolarHBondContact O-N 2.83Å
476Q90.1Very high82.5Confident39 Ų3944 Ų4418%0.18223%0.23CC..EExtended strand (participates in β ladder)trans-132131.8-173.4-58-177.6-11.100112.9A455 Q456 N457 Q496A455-Q476 PolarHBondContact O-N 3.44Å; Q456-Q476 CarbonylContact C-O 3.5Å; Q456-Q476 WeakPolarHBondContact CA-O 3.46Å; Q456-Q476 HydrophobicContact CG-CB 4.28Å; N457-Q476 PolarHBondContact N-O 2.79Å; Q476-Q496 CarbonylContact C-O 3.58Å; Q476-Q496 WeakPolarHBondContact CA-O 3.06Å; Q476-Q496 HydrophobicContact CG-CB 4.27Å
477N88.5Confident82.5Confident7 Ų741.9 Ų41.94%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-115.7126.7166.2-57.3-54.9000109.5N457 A465 N467 N487 Q496 N497 Q498N457-N477 WeakPolarHBondContact CB-OD1 3.35Å; N457-N477 PolarHBondContact ND2-OD1 3.19Å; N457-N477 CarbonylContact O-C 3.53Å; N457-N477 WeakPolarHBondContact O-CA 3.49Å; A465-N477 HydrophobicContact CB-CB 4.4Å; N467-N477 PolarHBondContact ND2-OD1 2.93Å; N467-N477 VanDerWaalsContact ND2-OD1 3.11Å; N477-N487 PolarHBondContact ND2-ND2 3.21Å; N477-N487 PolarHBondContact ND2-OD1 3.5Å; N477-N487 VanDerWaalsContact ND2-OD1 3.11Å; N477-Q496 PolarHBondContact N-O 3.47Å; N477-N497 WeakPolarHBondContact CB-OD1 3.28Å; N477-N497 PolarHBondContact ND2-OD1 2.99Å; N477-N497 CarbonylContact O-C 3.57Å; N477-N497 WeakPolarHBondContact O-CA 3.35Å; N477-Q498 PolarHBondContact O-N 3.22Å
478Q86.3Confident82.3Confident62 Ų6244.5 Ų44.529%0.2923%0.233SC..EExtended strand (participates in β ladder)trans-129.3127.5-178.4-55.6-171.317.100112.2N457 Q458 G459 Q498N457-Q478 PolarHBondContact O-N 3.48Å; Q458-Q478 CarbonylContact C-O 3.56Å; Q458-Q478 WeakPolarHBondContact CA-O 3.31Å; Q458-Q478 HydrophobicContact CG-CB 4.33Å; G459-Q478 PolarHBondContact N-O 2.92Å; Q478-Q498 CarbonylContact C-O 3.6Å; Q478-Q498 WeakPolarHBondContact CA-O 3.3Å; Q478-Q498 HydrophobicContact CG-CB 4.34Å
479A82.4Confident82.1Confident25 Ų2542.6 Ų42.621%0.20723%0.227CC..  trans-136.9159.2-177.300000112.9G459 Q498 A499 K500G459-A479 WeakPolarHBondContact O-CA 3.4Å; A479-Q498 PolarHBondContact N-O 3.42Å; A479-A499 WeakPolarHBondContact O-CA 3.3Å; A479-K500 PolarHBondContact O-N 3.31Å
480K77.8Confident81.8Confident110 Ų11047 Ų4748%0.47824%0.243SC..SBendtrans-96-53.3168-59.5-173.4-178.6-174.70111.2G459 K460 K500 K501G459-K480 PolarHBondContact O-N 2.85Å; K460-K480 WeakPolarHBondContact O-CB 3.44Å; K460-K480 PolarHBondContact O-N 2.87Å; K480-K500 WeakPolarHBondContact O-CA 3.29Å; K480-K500 VanDerWaalsContact O-CB 3.26Å; K480-K500 WeakPolarHBondContact O-CB 3.46Å; K480-K500 PolarHBondContact O-N 3.13Å; K480-K501 PolarHBondContact O-N 3.27Å
481K75.2Confident81.6Confident70 Ų7045.2 Ų45.230%0.30424%0.235SC..EExtended strand (participates in β ladder)trans-108.1146.1148.3-174.1-173.7179.3-77.60107.5K460 K461 G462 E483 K501K460-K481 PolarHBondContact O-N 3.47Å; K461-K481 VanDerWaalsContact CA-O 3.26Å; K461-K481 WeakPolarHBondContact CA-O 3.32Å; K461-K481 HydrophobicContact CG-CB 4.3Å; G462-K481 PolarHBondContact N-O 3.19Å; K481-E483 IonicContact NZ-OE1 3.61Å; K481-E483 PolarHBondContact NZ-OE1 2.86Å; K481-E483 IonicContact NZ-OE2 2.64Å; K481-E483 PolarHBondContact NZ-OE2 2.84Å; K481-K501 VanDerWaalsContact CA-O 3.29Å; K481-K501 WeakPolarHBondContact CA-O 3.3Å
482G65.5Low81Confident9 Ų941.8 Ų41.89%0.09322%0.222CC..EExtended strand (participates in β ladder)trans-179.8154.116600000114G462 K501 G502 E503G462-G482 WeakPolarHBondContact O-CA 3.3Å; G482-K501 PolarHBondContact N-O 3.18Å; G482-G502 WeakPolarHBondContact O-CA 3.34Å; G482-E503 PolarHBondContact O-N 3.2Å
483E66.1Low80.9Confident62 Ų6243.1 Ų43.129%0.2923%0.226SC..EExtended strand (participates in β ladder)trans-119.5148.5178-7596.2-94.500110.6G462 E463 G464 K481 E503G462-E483 PolarHBondContact O-N 2.86Å; E463-E483 WeakPolarHBondContact CA-O 3.18Å; E463-E483 HydrophobicContact CG-CB 4.31Å; G464-E483 PolarHBondContact N-O 3.31Å; G464-E483 VanDerWaalsContact N-O 3.11Å; K481-E483 IonicContact NZ-OE1 3.61Å; K481-E483 PolarHBondContact NZ-OE1 2.86Å; K481-E483 IonicContact NZ-OE2 2.64Å; K481-E483 PolarHBondContact NZ-OE2 2.84Å; E483-E503 WeakPolarHBondContact CA-O 3.41Å; E483-E503 HydrophobicContact CG-CB 4.16Å
484G69Low80.6Confident20 Ų2040.5 Ų40.521%0.20622%0.22CC..  trans70.646.3167.500000115.8G464 A465 E503 G504G464-G484 WeakPolarHBondContact CA-O 3.3Å; A465-G484 PolarHBondContact N-O 2.87Å; G484-E503 PolarHBondContact N-O 2.87Å; G484-G504 WeakPolarHBondContact CA-O 3.38Å
485G79.5Confident80.7Confident14 Ų1440.1 Ų40.114%0.14422%0.215CC..  trans-78.8116.3167.900000110.8A465 A505 Q506A465-G485 CarbonylContact O-C 3.41Å; G485-A505 CarbonylContact O-C 3.57Å; G485-A505 WeakPolarHBondContact O-CA 3.43Å; G485-Q506 PolarHBondContact O-N 3.07Å
486Q87.1Confident80.6Confident45 Ų4541.2 Ų41.221%0.2122%0.217CC..EExtended strand (participates in β ladder)trans-121.3130.9-172.9-60.8-178.1-32.500112.3A465 Q466 N467 Q506A465-Q486 PolarHBondContact O-N 3.42Å; Q466-Q486 CarbonylContact C-O 3.49Å; Q466-Q486 WeakPolarHBondContact CA-O 3.26Å; Q466-Q486 HydrophobicContact CG-CB 4.27Å; N467-Q486 PolarHBondContact N-O 2.87Å; Q486-Q506 CarbonylContact C-O 3.55Å; Q486-Q506 VanDerWaalsContact CA-O 3.27Å; Q486-Q506 WeakPolarHBondContact CA-O 3.35Å; Q486-Q506 HydrophobicContact CG-CB 4.28Å
487N87.9Confident80.4Confident8 Ų839.8 Ų39.84%0.04321%0.211CC..EExtended strand (participates in β ladder)trans-123.7128.4168.5-56.5-61.9000110.5N467 N477 A495 N497 Q506 N507 Q508N467-N487 WeakPolarHBondContact CB-OD1 3.31Å; N467-N487 PolarHBondContact ND2-OD1 2.99Å; N467-N487 CarbonylContact O-C 3.56Å; N467-N487 WeakPolarHBondContact O-CA 2.99Å; N477-N487 PolarHBondContact ND2-ND2 3.21Å; N477-N487 PolarHBondContact ND2-OD1 3.5Å; N477-N487 VanDerWaalsContact ND2-OD1 3.11Å; N487-A495 HydrophobicContact CB-CB 4.07Å; N487-N497 PolarHBondContact ND2-OD1 2.95Å; N487-Q506 PolarHBondContact N-O 3.4Å; N487-N507 WeakPolarHBondContact CB-OD1 3.29Å; N487-N507 PolarHBondContact ND2-OD1 3.44Å; N487-N507 CarbonylContact O-C 3.51Å; N487-N507 VanDerWaalsContact O-CA 3.31Å; N487-N507 WeakPolarHBondContact O-CA 3.37Å; N487-Q508 PolarHBondContact O-N 2.91Å
488Q86.2Confident80.1Confident63 Ų6342.4 Ų42.429%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-128.9134-179.1-57.7-170.511.100112.4N467 Q468 S469 Q508N467-Q488 PolarHBondContact O-N 2.91Å; Q468-Q488 CarbonylContact C-O 3.56Å; Q468-Q488 WeakPolarHBondContact CA-O 3.2Å; Q468-Q488 HydrophobicContact CG-CB 4.36Å; S469-Q488 PolarHBondContact N-O 2.89Å; S469-Q488 PolarHBondContact OG-O 2.83Å; Q488-Q508 CarbonylContact C-O 3.37Å; Q488-Q508 WeakPolarHBondContact CA-O 3.27Å; Q488-Q508 HydrophobicContact CG-CB 4.32Å
489A85.1Confident79.7Confident19 Ų1940.4 Ų40.416%0.15722%0.217CC..EExtended strand (participates in β ladder)trans-148157.3-178.300000113.2S469 Q508 A509 K510S469-A489 WeakPolarHBondContact O-CA 3.44Å; A489-Q508 PolarHBondContact N-O 3.42Å; A489-A509 WeakPolarHBondContact O-CA 3.43Å; A489-K510 PolarHBondContact O-N 2.6Å
490K81.3Confident79.2Confident118 Ų11844.7 Ų44.751%0.51323%0.231SC..EExtended strand (participates in β ladder)trans-90.2-45.8164.7-62.5-168.6179.5-169.80111.5K470 K510 K511K470-K490 WeakPolarHBondContact O-CA 3.39Å; K470-K490 WeakPolarHBondContact O-CB 3.35Å; K470-K490 PolarHBondContact O-N 2.91Å; K470-K490 VanDerWaalsContact O-N 3.13Å; K490-K510 WeakPolarHBondContact O-CB 3.37Å; K490-K510 PolarHBondContact O-N 2.61Å; K490-K511 PolarHBondContact O-N 3.09Å
491K81.5Confident78.9Confident75 Ų7543.6 Ų43.633%0.32623%0.226SC..EExtended strand (participates in β ladder)trans-116.4126.1156.8-164.4-164.5-172.5-114.50107.9K470 K471 G472 E493 K511K470-K491 PolarHBondContact O-N 3.06Å; K471-K491 CarbonylContact C-O 3.55Å; K471-K491 VanDerWaalsContact CA-O 3.31Å; K471-K491 WeakPolarHBondContact CA-O 3.2Å; K471-K491 HydrophobicContact CG-CB 4.39Å; G472-K491 PolarHBondContact N-O 3.4Å; K491-E493 WeakPolarHBondContact CD-OE1 3.3Å; K491-E493 WeakPolarHBondContact CE-OE1 3.49Å; K491-E493 WeakPolarHBondContact CG-OE1 3.35Å; K491-E493 IonicContact NZ-OE1 2.63Å; K491-E493 PolarHBondContact NZ-OE1 3.44Å; K491-E493 IonicContact NZ-OE2 3.75Å; K491-E493 PolarHBondContact NZ-OE2 3.4Å; K491-K511 CarbonylContact C-O 3.59Å; K491-K511 VanDerWaalsContact CA-O 3.28Å; K491-K511 WeakPolarHBondContact CA-O 3.44Å; K491-K511 HydrophobicContact CG-CB 4.43Å
492G75.3Confident78.3Confident7 Ų740.6 Ų40.67%0.07222%0.216CC..EExtended strand (participates in β ladder)trans-141.2123.5-175.500000113.4G472 K511 G512 E513G472-G492 WeakPolarHBondContact O-CA 3.38Å; G492-K511 PolarHBondContact N-O 3.2Å; G492-G512 CarbonylContact O-C 3.58Å; G492-G512 WeakPolarHBondContact O-CA 2.97Å; G492-E513 PolarHBondContact O-N 2.94Å; G492-E513 VanDerWaalsContact O-N 3.14Å
493E79.3Confident78.4Confident36 Ų3642.8 Ų42.817%0.16822%0.223CC..EExtended strand (participates in β ladder)trans-112.9140.5173.8-76103.1-10000111.4G472 E473 G474 K491 A495 E513G472-E493 PolarHBondContact O-N 3.27Å; E473-E493 CarbonylContact C-O 3.55Å; E473-E493 VanDerWaalsContact CA-O 3.3Å; E473-E493 WeakPolarHBondContact CA-O 3.27Å; E473-E493 HydrophobicContact CG-CB 4.23Å; G474-E493 PolarHBondContact N-O 3.37Å; K491-E493 WeakPolarHBondContact CD-OE1 3.3Å; K491-E493 WeakPolarHBondContact CE-OE1 3.49Å; K491-E493 WeakPolarHBondContact CG-OE1 3.35Å; K491-E493 IonicContact NZ-OE1 2.63Å; K491-E493 PolarHBondContact NZ-OE1 3.44Å; K491-E493 IonicContact NZ-OE2 3.75Å; K491-E493 PolarHBondContact NZ-OE2 3.4Å; E493-A495 PolarHBondContact O-N 3.33Å; E493-E513 WeakPolarHBondContact CA-O 2.94Å; E493-E513 HydrophobicContact CG-CB 4.3Å
494G77.5Confident78.5Confident24 Ų2441 Ų4125%0.24722%0.222CC..SBendtrans68.232.1167.900000116.6E513 G514G494-E513 PolarHBondContact N-O 3.02Å; G494-G514 WeakPolarHBondContact CA-O 3.26Å
495A84.7Confident79Confident15 Ų1541 Ų4112%0.12422%0.22CC..  trans-74.7126.8177.700000111.9A475 N487 E493 V515 Q516A475-A495 CarbonylContact O-C 3.58Å; A475-A495 WeakPolarHBondContact O-CA 3.37Å; N487-A495 HydrophobicContact CB-CB 4.07Å; E493-A495 PolarHBondContact O-N 3.33Å; A495-V515 CarbonylContact O-C 3.54Å; A495-V515 WeakPolarHBondContact O-CA 3.03Å; A495-Q516 PolarHBondContact O-N 3.43Å
496Q86.8Confident79.1Confident38 Ų3842.5 Ų42.518%0.17822%0.223CC..EExtended strand (participates in β ladder)trans-129.2140-175.8-53.3-168.5-3.900114.2A475 Q476 N477 Q516A475-Q496 PolarHBondContact O-N 2.83Å; Q476-Q496 CarbonylContact C-O 3.58Å; Q476-Q496 WeakPolarHBondContact CA-O 3.06Å; Q476-Q496 HydrophobicContact CG-CB 4.27Å; N477-Q496 PolarHBondContact N-O 3.47Å; Q496-Q516 CarbonylContact C-O 3.58Å; Q496-Q516 VanDerWaalsContact CA-O 3.25Å; Q496-Q516 WeakPolarHBondContact CA-O 3.29Å; Q496-Q516 HydrophobicContact CG-CB 4.21Å
497N84.9Confident78.9Confident8 Ų840.6 Ų40.64%0.04321%0.214CC..EExtended strand (participates in β ladder)trans-123.6129.1165.1-58.4-54.4000110N477 N487 A505 N507 Q516 N517 Q518N477-N497 WeakPolarHBondContact CB-OD1 3.28Å; N477-N497 PolarHBondContact ND2-OD1 2.99Å; N477-N497 CarbonylContact O-C 3.57Å; N477-N497 WeakPolarHBondContact O-CA 3.35Å; N487-N497 PolarHBondContact ND2-OD1 2.95Å; N497-A505 HydrophobicContact CB-CB 3.97Å; N497-N507 PolarHBondContact ND2-ND2 3.38Å; N497-N507 PolarHBondContact ND2-OD1 2.94Å; N497-Q516 PolarHBondContact N-O 3.37Å; N497-N517 WeakPolarHBondContact CB-OD1 3.43Å; N497-N517 PolarHBondContact ND2-OD1 2.84Å; N497-N517 CarbonylContact O-C 3.57Å; N497-N517 WeakPolarHBondContact O-CA 3.46Å; N497-Q518 PolarHBondContact O-N 3.08Å
498Q82.3Confident78.5Confident62 Ų6243.4 Ų43.429%0.2923%0.227SC..EExtended strand (participates in β ladder)trans-130.2126.9-178.4-56.5-171.517.700112.1N477 Q478 A479 Q518N477-Q498 PolarHBondContact O-N 3.22Å; Q478-Q498 CarbonylContact C-O 3.6Å; Q478-Q498 WeakPolarHBondContact CA-O 3.3Å; Q478-Q498 HydrophobicContact CG-CB 4.34Å; A479-Q498 PolarHBondContact N-O 3.42Å; Q498-Q518 CarbonylContact C-O 3.52Å; Q498-Q518 WeakPolarHBondContact CA-O 3.35Å; Q498-Q518 HydrophobicContact CG-CB 4.39Å
499A78.2Confident78.2Confident21 Ų2141.2 Ų41.217%0.17422%0.22CC..EExtended strand (participates in β ladder)trans-132.5160.3-179.700000113.2A479 Q518 A519 K520A479-A499 WeakPolarHBondContact O-CA 3.3Å; A499-Q518 PolarHBondContact N-O 2.97Å; A499-A519 HydrophobicContact CB-CB 4.04Å; A499-A519 VanDerWaalsContact O-CA 3.29Å; A499-A519 WeakPolarHBondContact O-CA 3.09Å; A499-K520 PolarHBondContact O-N 2.83Å
500K72.3Confident77.7Confident115 Ų11545.8 Ų45.850%0.524%0.236SC..SBendtrans-95.7-40.3161.9-59.7-168.2177.8-167.40112.3A479 K480 K520 K521A479-K500 PolarHBondContact O-N 3.31Å; K480-K500 WeakPolarHBondContact O-CA 3.29Å; K480-K500 VanDerWaalsContact O-CB 3.26Å; K480-K500 WeakPolarHBondContact O-CB 3.46Å; K480-K500 PolarHBondContact O-N 3.13Å; K500-K520 CarbonylContact O-C 3.53Å; K500-K521 PolarHBondContact O-N 2.98Å
501K70.8Confident77.3Confident86 Ų8643.7 Ų43.737%0.37423%0.227SC..EExtended strand (participates in β ladder)trans-129.5137.7152.6-163.5-145.8-178.8-127.20108.5K480 K481 G482 E503 K521K480-K501 PolarHBondContact O-N 3.27Å; K481-K501 VanDerWaalsContact CA-O 3.29Å; K481-K501 WeakPolarHBondContact CA-O 3.3Å; G482-K501 PolarHBondContact N-O 3.18Å; K501-E503 VanDerWaalsContact CE-OE1 3.26Å; K501-E503 WeakPolarHBondContact CE-OE1 3.35Å; K501-E503 IonicContact NZ-OE1 2.62Å; K501-E503 PolarHBondContact NZ-OE1 2.92Å; K501-E503 IonicContact NZ-OE2 2.96Å; K501-E503 PolarHBondContact NZ-OE2 3.29Å; K501-K521 VanDerWaalsContact CA-O 3.25Å; K501-K521 WeakPolarHBondContact CA-O 3.41Å; K501-K521 VanDerWaalsContact CG-O 3.29Å; K501-K521 WeakPolarHBondContact CG-O 3.36Å
502G64.3Low76.5Confident8 Ų840.4 Ų40.48%0.08222%0.215CC..EExtended strand (participates in β ladder)trans-174.4159.2172.900000113.7G482 G522G482-G502 WeakPolarHBondContact O-CA 3.34Å; G502-G522 CarbonylContact O-C 3.53Å
503E67.3Low76.3Confident54 Ų5442.4 Ų42.425%0.25222%0.222SC..EExtended strand (participates in β ladder)trans-130.4154.7-176.3-69.8104-97.400110.1G482 E483 G484 K501 E524G482-E503 PolarHBondContact O-N 3.2Å; E483-E503 WeakPolarHBondContact CA-O 3.41Å; E483-E503 HydrophobicContact CG-CB 4.16Å; G484-E503 PolarHBondContact N-O 2.87Å; K501-E503 VanDerWaalsContact CE-OE1 3.26Å; K501-E503 WeakPolarHBondContact CE-OE1 3.35Å; K501-E503 IonicContact NZ-OE1 2.62Å; K501-E503 PolarHBondContact NZ-OE1 2.92Å; K501-E503 IonicContact NZ-OE2 2.96Å; K501-E503 PolarHBondContact NZ-OE2 3.29Å; E503-E524 WeakPolarHBondContact CA-O 3.36Å; E503-E524 HydrophobicContact CG-CB 4.08Å
504G68.2Low75.8Confident25 Ų2542 Ų4226%0.25823%0.227SC..  trans70.936.2170.100000116.4G484 Q506 E524 G525G484-G504 WeakPolarHBondContact CA-O 3.38Å; G504-Q506 PolarHBondContact O-N 2.84Å; G504-E524 PolarHBondContact N-O 3.46Å; G504-G525 WeakPolarHBondContact CA-O 3.26Å
505A77.8Confident75.8Confident20 Ų2041.7 Ų41.717%0.16522%0.221CC..  trans-79.1111.8177.100000111.6G485 N497 A526 Q527G485-A505 CarbonylContact O-C 3.57Å; G485-A505 WeakPolarHBondContact O-CA 3.43Å; N497-A505 HydrophobicContact CB-CB 3.97Å; A505-A526 HydrophobicContact CB-CB 4.41Å; A505-A526 CarbonylContact O-C 3.58Å; A505-A526 WeakPolarHBondContact O-CA 3.26Å; A505-Q527 PolarHBondContact O-N 3.3Å
506Q81.7Confident75.5Confident45 Ų4543.1 Ų43.121%0.2123%0.225CC..EExtended strand (participates in β ladder)trans-115135.6-172.5-58.3179.1-40.600112.8G485 Q486 N487 G504 Q527G485-Q506 PolarHBondContact O-N 3.07Å; Q486-Q506 CarbonylContact C-O 3.55Å; Q486-Q506 VanDerWaalsContact CA-O 3.27Å; Q486-Q506 WeakPolarHBondContact CA-O 3.35Å; Q486-Q506 HydrophobicContact CG-CB 4.28Å; N487-Q506 PolarHBondContact N-O 3.4Å; G504-Q506 PolarHBondContact O-N 2.84Å; Q506-Q527 CarbonylContact C-O 3.55Å; Q506-Q527 VanDerWaalsContact CA-O 3.27Å; Q506-Q527 WeakPolarHBondContact CA-O 3.26Å; Q506-Q527 HydrophobicContact CG-CB 4.28Å
507N83.5Confident75.1Confident6 Ų641.4 Ų41.43%0.03222%0.217CC..EExtended strand (participates in β ladder)trans-129.2130.5170.1-55.9-66.4000110.4N487 N497 V515 N517 Q527 N528 Q529N487-N507 WeakPolarHBondContact CB-OD1 3.29Å; N487-N507 PolarHBondContact ND2-OD1 3.44Å; N487-N507 CarbonylContact O-C 3.51Å; N487-N507 VanDerWaalsContact O-CA 3.31Å; N487-N507 WeakPolarHBondContact O-CA 3.37Å; N497-N507 PolarHBondContact ND2-ND2 3.38Å; N497-N507 PolarHBondContact ND2-OD1 2.94Å; N507-V515 HydrophobicContact CB-CG1 3.65Å; N507-V515 VanDerWaalsContact ND2-CG1 3.3Å; N507-V515 WeakPolarHBondContact ND2-CG1 3.29Å; N507-N517 PolarHBondContact ND2-ND2 2.96Å; N507-N517 PolarHBondContact ND2-OD1 3.26Å; N507-Q527 PolarHBondContact N-O 3.31Å; N507-N528 PolarHBondContact ND2-OD1 3.36Å; N507-N528 CarbonylContact O-C 3.56Å; N507-N528 VanDerWaalsContact O-CA 3.29Å; N507-N528 WeakPolarHBondContact O-CA 3.27Å; N507-Q529 PolarHBondContact O-N 3.22Å
508Q80.5Confident74.7Confident67 Ų6743.8 Ų43.831%0.31323%0.228SC..EExtended strand (participates in β ladder)trans-128.7116.3179.8-56.4-171.6600110.9N487 Q488 A489 Q529N487-Q508 PolarHBondContact O-N 2.91Å; Q488-Q508 CarbonylContact C-O 3.37Å; Q488-Q508 WeakPolarHBondContact CA-O 3.27Å; Q488-Q508 HydrophobicContact CG-CB 4.32Å; A489-Q508 PolarHBondContact N-O 3.42Å; Q508-Q529 CarbonylContact C-O 3.54Å; Q508-Q529 WeakPolarHBondContact CA-O 3.25Å; Q508-Q529 HydrophobicContact CG-CB 4.29Å
509A78.9Confident74.2Confident17 Ų1741.3 Ų41.314%0.1422%0.218CC..EExtended strand (participates in β ladder)trans-138.1118.3-177.800000111.5A489 Q529 G530A489-A509 WeakPolarHBondContact O-CA 3.43Å; A509-Q529 PolarHBondContact N-O 2.93Å; A509-G530 WeakPolarHBondContact O-CA 3.29Å
510K74Confident73.6Confident115 Ų11546.1 Ų46.150%0.524%0.235SC..EExtended strand (participates in β ladder)trans-65.1-44.4-179.2-66-171.9179.7-174.70111.9A489 K490 K531 K532A489-K510 PolarHBondContact O-N 2.6Å; K490-K510 WeakPolarHBondContact O-CB 3.37Å; K490-K510 PolarHBondContact O-N 2.61Å; K510-K531 WeakPolarHBondContact O-CA 3.25Å; K510-K531 VanDerWaalsContact O-CB 3.3Å; K510-K531 WeakPolarHBondContact O-CB 3.01Å; K510-K531 PolarHBondContact O-N 3.01Å; K510-K531 VanDerWaalsContact O-N 3.08Å; K510-K532 PolarHBondContact O-N 2.86Å
511K73Confident73.2Confident74 Ų7447.9 Ų47.932%0.32224%0.243SC..EExtended strand (participates in β ladder)trans-115.8137.1151.5-168.8-167.5-172.2-129.40108.2K490 K491 G492 E513 K532K490-K511 PolarHBondContact O-N 3.09Å; K491-K511 CarbonylContact C-O 3.59Å; K491-K511 VanDerWaalsContact CA-O 3.28Å; K491-K511 WeakPolarHBondContact CA-O 3.44Å; K491-K511 HydrophobicContact CG-CB 4.43Å; G492-K511 PolarHBondContact N-O 3.2Å; K511-E513 WeakPolarHBondContact CE-OE1 3.4Å; K511-E513 IonicContact NZ-OE1 3.1Å; K511-E513 PolarHBondContact NZ-OE1 2.99Å; K511-E513 IonicContact NZ-OE2 2.85Å; K511-K532 VanDerWaalsContact CA-O 3.27Å; K511-K532 WeakPolarHBondContact CA-O 3.28Å; K511-K532 HydrophobicContact CG-CB 4.44Å
512G66.4Low72.3Confident6 Ų644.1 Ų44.16%0.06223%0.229CC..EExtended strand (participates in β ladder)trans-169.1157.6169.700000115.8G492 K532 G533 E534G492-G512 CarbonylContact O-C 3.58Å; G492-G512 WeakPolarHBondContact O-CA 2.97Å; G512-K532 PolarHBondContact N-O 2.98Å; G512-K532 VanDerWaalsContact N-O 3.12Å; G512-G533 WeakPolarHBondContact O-CA 2.96Å; G512-E534 PolarHBondContact O-N 3.46Å
513E69.9Low71.8Confident49 Ų4944.1 Ų44.123%0.22923%0.227CC..EExtended strand (participates in β ladder)trans-135.6146-171.6-72.5129.3-124.700110.1G492 E493 G494 K511 E534G492-E513 PolarHBondContact O-N 2.94Å; G492-E513 VanDerWaalsContact O-N 3.14Å; E493-E513 WeakPolarHBondContact CA-O 2.94Å; E493-E513 HydrophobicContact CG-CB 4.3Å; G494-E513 PolarHBondContact N-O 3.02Å; K511-E513 WeakPolarHBondContact CE-OE1 3.4Å; K511-E513 IonicContact NZ-OE1 3.1Å; K511-E513 PolarHBondContact NZ-OE1 2.99Å; K511-E513 IonicContact NZ-OE2 2.85Å; E513-E534 HydrophobicContact CG-CB 4.2Å
514G68.8Low71.2Confident27 Ų2745.1 Ų45.128%0.27823%0.232SC..EExtended strand (participates in β ladder)trans7135171.200000115.4G494 E534 A535G494-G514 WeakPolarHBondContact CA-O 3.26Å; G514-E534 PolarHBondContact N-O 3.34Å; G514-A535 VanDerWaalsContact CA-O 3.27Å; G514-A535 WeakPolarHBondContact CA-O 2.94Å; G514-A535 PolarHBondContact N-O 3.13Å
515V76.8Confident70.8Confident18 Ų1845.7 Ų45.711%0.10924%0.238CC..EExtended strand (participates in β ladder)trans-73.4137.3176.11790000110.1A495 N507 N528 A535 N536 Q537A495-V515 CarbonylContact O-C 3.54Å; A495-V515 WeakPolarHBondContact O-CA 3.03Å; N507-V515 HydrophobicContact CB-CG1 3.65Å; N507-V515 VanDerWaalsContact ND2-CG1 3.3Å; N507-V515 WeakPolarHBondContact ND2-CG1 3.29Å; V515-N528 WeakPolarHBondContact CG1-OD1 3.41Å; V515-A535 PolarHBondContact N-O 2.81Å; V515-N536 HydrophobicContact CB-CB 4.32Å; V515-N536 CarbonylContact O-C 3.46Å; V515-N536 WeakPolarHBondContact O-CA 3.48Å; V515-N536 PolarHBondContact O-OD1 2.68Å; V515-Q537 PolarHBondContact O-N 2.62Å
516Q78.9Confident70.5Confident44 Ų4444.8 Ų44.821%0.20623%0.23CC..EExtended strand (participates in β ladder)trans-139.3133.4178.7-53.8-169.21.600114A495 Q496 N497 Q537A495-Q516 PolarHBondContact O-N 3.43Å; Q496-Q516 CarbonylContact C-O 3.58Å; Q496-Q516 VanDerWaalsContact CA-O 3.25Å; Q496-Q516 WeakPolarHBondContact CA-O 3.29Å; Q496-Q516 HydrophobicContact CG-CB 4.21Å; N497-Q516 PolarHBondContact N-O 3.37Å; Q516-Q537 CarbonylContact C-O 3.58Å; Q516-Q537 VanDerWaalsContact CA-O 3.28Å; Q516-Q537 WeakPolarHBondContact CA-O 3.39Å; Q516-Q537 HydrophobicContact CG-CB 4.27Å
517N78.7Confident70.1Confident3 Ų344.9 Ų44.92%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-120.4126.5165.5-53.1-71.9000109.6N497 N507 A526 N528 Q537 N538 Q539N497-N517 WeakPolarHBondContact CB-OD1 3.43Å; N497-N517 PolarHBondContact ND2-OD1 2.84Å; N497-N517 CarbonylContact O-C 3.57Å; N497-N517 WeakPolarHBondContact O-CA 3.46Å; N507-N517 PolarHBondContact ND2-ND2 2.96Å; N507-N517 PolarHBondContact ND2-OD1 3.26Å; N517-A526 HydrophobicContact CB-CB 4.49Å; N517-N528 PolarHBondContact ND2-ND2 3.39Å; N517-N528 VanDerWaalsContact ND2-ND2 3.19Å; N517-N528 PolarHBondContact ND2-OD1 2.93Å; N517-Q537 PolarHBondContact N-O 2.93Å; N517-N538 PolarHBondContact ND2-OD1 2.64Å; N517-N538 CarbonylContact O-C 3.41Å; N517-N538 WeakPolarHBondContact O-CA 3.39Å; N517-Q539 PolarHBondContact O-N 2.78Å
518Q76.6Confident69.7Low57 Ų5745 Ų4527%0.26623%0.231SC..EExtended strand (participates in β ladder)trans-128.2127.1-178.2-54.5-173.513.300111.4N497 Q498 A499 Q539N497-Q518 PolarHBondContact O-N 3.08Å; Q498-Q518 CarbonylContact C-O 3.52Å; Q498-Q518 WeakPolarHBondContact CA-O 3.35Å; Q498-Q518 HydrophobicContact CG-CB 4.39Å; A499-Q518 PolarHBondContact N-O 2.97Å; Q518-Q539 CarbonylContact C-O 3.57Å; Q518-Q539 WeakPolarHBondContact CA-O 3.36Å; Q518-Q539 HydrophobicContact CB-CB 4.5Å; Q518-Q539 HydrophobicContact CG-CB 4.24Å; Q518-Q539 HydrophobicContact CG-CG 4.47Å
519A70.9Confident69.4Low11 Ų1144.9 Ų44.99%0.09123%0.231CC..EExtended strand (participates in β ladder)trans-144.6157.4167.100000116.3A499 G522 V523 Q539 K541A499-A519 HydrophobicContact CB-CB 4.04Å; A499-A519 VanDerWaalsContact O-CA 3.29Å; A499-A519 WeakPolarHBondContact O-CA 3.09Å; A519-G522 VanDerWaalsContact CB-O 3.25Å; A519-G522 WeakPolarHBondContact CB-O 3.36Å; A519-V523 HydrophobicContact CB-CG2 3.49Å; A519-V523 VanDerWaalsContact CB-CG2 3.49Å; A519-Q539 PolarHBondContact N-O 2.82Å; A519-K541 PolarHBondContact O-N 2.86Å
520K66.2Low68.8Low122 Ų12245 Ų4553%0.5323%0.233SC..SBendtrans-94.8-17.3-175.6-56.7-167.6-174.9-168.60114A499 K500A499-K520 PolarHBondContact O-N 2.83Å; K500-K520 CarbonylContact O-C 3.53Å
521K63.6Low68.4Low151 Ų15145.2 Ų45.266%0.65723%0.234SC*.SBendtrans-158.5123.6170.3-66.1-172179.2-174.40109.1K500 K501K500-K521 PolarHBondContact O-N 2.98Å; K501-K521 VanDerWaalsContact CA-O 3.25Å; K501-K521 WeakPolarHBondContact CA-O 3.41Å; K501-K521 VanDerWaalsContact CG-O 3.29Å; K501-K521 WeakPolarHBondContact CG-O 3.36Å
522G53.5Low68Low8 Ų845.8 Ų45.88%0.08224%0.237CC..  trans74.5125.8-175.600000112.1G502 A519 E524 K542G502-G522 CarbonylContact O-C 3.53Å; A519-G522 VanDerWaalsContact CB-O 3.25Å; A519-G522 WeakPolarHBondContact CB-O 3.36Å; G522-E524 WeakPolarHBondContact CA-OE1 3.22Å; G522-K542 PolarHBondContact N-O 2.81Å
523V52.8Low67.6Low8 Ų846 Ų465%0.04824%0.239CC..  trans-138.834.2163.3-1730000107.2A519 G525 A526 A540A519-V523 HydrophobicContact CB-CG2 3.49Å; A519-V523 VanDerWaalsContact CB-CG2 3.49Å; V523-G525 PolarHBondContact O-N 3.24Å; V523-A526 HydrophobicContact CG1-CB 3.44Å; V523-A526 VanDerWaalsContact CG1-CB 3.44Å; V523-A526 PolarHBondContact O-N 3.03Å; V523-A540 HydrophobicContact CB-CB 4.09Å; V523-A540 HydrophobicContact CG2-CB 3.55Å
524E55.7Low67.1Low74 Ų7446.9 Ų46.935%0.34624%0.243SC..THydrogen-bonded Turntrans-59.3129.9175.8-72.3113.3-109.900109.2E503 G504 G522 A526 E544E503-E524 WeakPolarHBondContact CA-O 3.36Å; E503-E524 HydrophobicContact CG-CB 4.08Å; G504-E524 PolarHBondContact N-O 3.46Å; G522-E524 WeakPolarHBondContact CA-OE1 3.22Å; E524-A526 PolarHBondContact O-N 3.1Å; E524-E544 HydrophobicContact CG-CB 4.32Å; E524-E544 HydrophobicContact CG-CG 4.17Å
525G59.7Low66.7Low38 Ų3847.6 Ų47.639%0.39225%0.246SC..THydrogen-bonded Turntrans6924.2178.800000116.6G504 V523 Q527G504-G525 WeakPolarHBondContact CA-O 3.26Å; V523-G525 PolarHBondContact O-N 3.24Å; G525-Q527 PolarHBondContact O-N 3.36Å
526A71.2Confident66.3Low1 Ų147.6 Ų47.61%0.00825%0.246CC..  trans-67.6126.6164.600000110.4A505 N517 V523 E524 G546 Q547A505-A526 HydrophobicContact CB-CB 4.41Å; A505-A526 CarbonylContact O-C 3.58Å; A505-A526 WeakPolarHBondContact O-CA 3.26Å; N517-A526 HydrophobicContact CB-CB 4.49Å; V523-A526 HydrophobicContact CG1-CB 3.44Å; V523-A526 VanDerWaalsContact CG1-CB 3.44Å; V523-A526 PolarHBondContact O-N 3.03Å; E524-A526 PolarHBondContact O-N 3.1Å; A526-G546 CarbonylContact O-C 3.5Å; A526-G546 WeakPolarHBondContact O-CA 3.26Å; A526-Q547 PolarHBondContact O-N 2.92Å
527Q73.3Confident66Low47 Ų4747.5 Ų47.522%0.2225%0.245CC..EExtended strand (participates in β ladder)trans-132.5122.8-174.9-62.5179.7-44.900111.5A505 Q506 N507 G525 Q547A505-Q527 PolarHBondContact O-N 3.3Å; Q506-Q527 CarbonylContact C-O 3.55Å; Q506-Q527 VanDerWaalsContact CA-O 3.27Å; Q506-Q527 WeakPolarHBondContact CA-O 3.26Å; Q506-Q527 HydrophobicContact CG-CB 4.28Å; N507-Q527 PolarHBondContact N-O 3.31Å; G525-Q527 PolarHBondContact O-N 3.36Å; Q527-Q547 WeakPolarHBondContact CA-O 3.26Å; Q527-Q547 HydrophobicContact CG-CB 4.31Å
528N75.4Confident65.7Low7 Ų747.7 Ų47.74%0.03725%0.247CC..EExtended strand (participates in β ladder)trans-120122177.4-48.5-80.4000110.3N507 V515 N517 N536 N538 Q547 N548 Q549N507-N528 PolarHBondContact ND2-OD1 3.36Å; N507-N528 CarbonylContact O-C 3.56Å; N507-N528 VanDerWaalsContact O-CA 3.29Å; N507-N528 WeakPolarHBondContact O-CA 3.27Å; V515-N528 WeakPolarHBondContact CG1-OD1 3.41Å; N517-N528 PolarHBondContact ND2-ND2 3.39Å; N517-N528 VanDerWaalsContact ND2-ND2 3.19Å; N517-N528 PolarHBondContact ND2-OD1 2.93Å; N528-N536 VanDerWaalsContact CB-ND2 3.3Å; N528-N536 WeakPolarHBondContact CB-ND2 3.4Å; N528-N536 PolarHBondContact ND2-ND2 2.69Å; N528-N538 PolarHBondContact ND2-OD1 3.35Å; N528-Q547 PolarHBondContact N-O 2.88Å; N528-N548 WeakPolarHBondContact CB-OD1 3.29Å; N528-N548 PolarHBondContact ND2-OD1 3.35Å; N528-N548 CarbonylContact O-C 3.52Å; N528-N548 WeakPolarHBondContact O-CA 3.34Å; N528-Q549 PolarHBondContact O-N 3.36Å
529Q73.1Confident65.4Low66 Ų6647.8 Ų47.831%0.30825%0.247SC..EExtended strand (participates in β ladder)trans-125.1139-173-59-176.60.300112.5N507 Q508 A509 Q549N507-Q529 PolarHBondContact O-N 3.22Å; Q508-Q529 CarbonylContact C-O 3.54Å; Q508-Q529 WeakPolarHBondContact CA-O 3.25Å; Q508-Q529 HydrophobicContact CG-CB 4.29Å; A509-Q529 PolarHBondContact N-O 2.93Å; Q529-Q549 CarbonylContact C-O 3.54Å; Q529-Q549 VanDerWaalsContact CA-O 3.3Å; Q529-Q549 WeakPolarHBondContact CA-O 3.24Å; Q529-Q549 HydrophobicContact CG-CB 4.38Å
530G66.3Low65.1Low18 Ų1847.8 Ų47.819%0.18625%0.247CC..EExtended strand (participates in β ladder)trans-165.5175.5176.700000116.2A509 Q549 K551A509-G530 WeakPolarHBondContact O-CA 3.29Å; G530-Q549 PolarHBondContact N-O 3.1Å; G530-K551 PolarHBondContact O-N 2.96Å
531K65.1Low64.9Low120 Ų12047.9 Ų47.952%0.52225%0.247SC..EExtended strand (participates in β ladder)trans-102.2-40.9172.6-61.9-170.8175.6-170.10112.7K510 K551 K552K510-K531 WeakPolarHBondContact O-CA 3.25Å; K510-K531 VanDerWaalsContact O-CB 3.3Å; K510-K531 WeakPolarHBondContact O-CB 3.01Å; K510-K531 PolarHBondContact O-N 3.01Å; K510-K531 VanDerWaalsContact O-N 3.08Å; K531-K551 HydrophobicContact CG-CD 4.41Å; K531-K552 PolarHBondContact O-N 3.08Å; K531-K552 VanDerWaalsContact O-N 3.12Å
532K65.1Low64.6Low86 Ų8647.6 Ų47.637%0.37425%0.246SC..EExtended strand (participates in β ladder)trans-132.9136.5165.8-164.1-160.8-174.9-134.10109.6K510 K511 G512 E534 K552K510-K532 PolarHBondContact O-N 2.86Å; K511-K532 VanDerWaalsContact CA-O 3.27Å; K511-K532 WeakPolarHBondContact CA-O 3.28Å; K511-K532 HydrophobicContact CG-CB 4.44Å; G512-K532 PolarHBondContact N-O 2.98Å; G512-K532 VanDerWaalsContact N-O 3.12Å; K532-E534 VanDerWaalsContact CE-OE1 3.31Å; K532-E534 WeakPolarHBondContact CE-OE1 3.33Å; K532-E534 IonicContact NZ-OE1 2.69Å; K532-E534 PolarHBondContact NZ-OE1 2.92Å; K532-K552 WeakPolarHBondContact CA-O 3.39Å
533G58.7Low64.6Low11 Ų1147.4 Ų47.411%0.11325%0.245CC..EExtended strand (participates in β ladder)trans-167.7163170.400000113.8G512 G553 E554G512-G533 WeakPolarHBondContact O-CA 2.96Å; G533-G553 WeakPolarHBondContact O-CA 3.29Å; G533-E554 PolarHBondContact O-N 3.24Å
534E59.1Low64.7Low67 Ų6752 Ų5231%0.31327%0.265SS..EExtended strand (participates in β ladder)trans-134.1151.6-176.1-74.2133.4-129.300108.6G512 E513 G514 K532 E554G512-E534 PolarHBondContact O-N 3.46Å; E513-E534 HydrophobicContact CG-CB 4.2Å; G514-E534 PolarHBondContact N-O 3.34Å; K532-E534 VanDerWaalsContact CE-OE1 3.31Å; K532-E534 WeakPolarHBondContact CE-OE1 3.33Å; K532-E534 IonicContact NZ-OE1 2.69Å; K532-E534 PolarHBondContact NZ-OE1 2.92Å; E534-E554 HydrophobicContact CG-CG 4.17Å
535A60.5Low64.7Low42 Ų4249.5 Ų49.535%0.34726%0.259SS..EExtended strand (participates in β ladder)trans40.982.8178.600000117G514 V515 E554G514-A535 VanDerWaalsContact CA-O 3.27Å; G514-A535 WeakPolarHBondContact CA-O 2.94Å; G514-A535 PolarHBondContact N-O 3.13Å; V515-A535 PolarHBondContact N-O 2.81Å; A535-E554 PolarHBondContact N-OE2 3.31Å
536N68.2Low64.7Low19 Ų1947.8 Ų47.810%0.10224%0.242CC..EExtended strand (participates in β ladder)trans-107128.8167.917327.7000110.6V515 N528 N548 P556 Q557V515-N536 HydrophobicContact CB-CB 4.32Å; V515-N536 CarbonylContact O-C 3.46Å; V515-N536 WeakPolarHBondContact O-CA 3.48Å; V515-N536 PolarHBondContact O-OD1 2.68Å; N528-N536 VanDerWaalsContact CB-ND2 3.3Å; N528-N536 WeakPolarHBondContact CB-ND2 3.4Å; N528-N536 PolarHBondContact ND2-ND2 2.69Å; N536-N548 PolarHBondContact ND2-OD1 2.64Å; N536-P556 HydrophobicContact CB-CB 4.18Å; N536-P556 CarbonylContact O-C 3.53Å; N536-P556 WeakPolarHBondContact O-CA 3.4Å; N536-P556 VanDerWaalsContact O-CB 3.26Å; N536-P556 WeakPolarHBondContact O-CB 3.4Å; N536-Q557 PolarHBondContact O-N 2.84Å
537Q72.2Confident64.3Low42 Ų4251 Ų5120%0.19626%0.257CS..EExtended strand (participates in β ladder)trans-119.3122.9-175.2-59-168.4-11.600113.5V515 Q516 N517 Q557V515-Q537 PolarHBondContact O-N 2.62Å; Q516-Q537 CarbonylContact C-O 3.58Å; Q516-Q537 VanDerWaalsContact CA-O 3.28Å; Q516-Q537 WeakPolarHBondContact CA-O 3.39Å; Q516-Q537 HydrophobicContact CG-CB 4.27Å; N517-Q537 PolarHBondContact N-O 2.93Å; Q537-Q557 VanDerWaalsContact CA-O 3.3Å; Q537-Q557 WeakPolarHBondContact CA-O 2.78Å; Q537-Q557 HydrophobicContact CG-CB 4.34Å
538N72.9Confident63.9Low7 Ų748.8 Ų48.84%0.03725%0.246CC..EExtended strand (participates in β ladder)trans-111.5113.9169.4-50.6-70.3000110.2N517 N528 Q557 N558 Q559N517-N538 PolarHBondContact ND2-OD1 2.64Å; N517-N538 CarbonylContact O-C 3.41Å; N517-N538 WeakPolarHBondContact O-CA 3.39Å; N528-N538 PolarHBondContact ND2-OD1 3.35Å; N538-Q557 PolarHBondContact N-O 3.37Å; N538-Q557 VanDerWaalsContact N-O 3.08Å; N538-N558 WeakPolarHBondContact CB-OD1 3.36Å; N538-N558 PolarHBondContact ND2-OD1 3.25Å; N538-N558 VanDerWaalsContact O-CA 3.29Å; N538-N558 WeakPolarHBondContact O-CA 3.39Å; N538-Q559 PolarHBondContact O-N 3.24Å
539Q70Confident63.3Low58 Ų5851.6 Ų51.627%0.27126%0.259SS..EExtended strand (participates in β ladder)trans-110.6111.5-178.3-56.4-17012.500111.1N517 Q518 A519 Q559N517-Q539 PolarHBondContact O-N 2.78Å; Q518-Q539 CarbonylContact C-O 3.57Å; Q518-Q539 WeakPolarHBondContact CA-O 3.36Å; Q518-Q539 HydrophobicContact CB-CB 4.5Å; Q518-Q539 HydrophobicContact CG-CB 4.24Å; Q518-Q539 HydrophobicContact CG-CG 4.47Å; A519-Q539 PolarHBondContact N-O 2.82Å; Q539-Q559 CarbonylContact C-O 3.45Å; Q539-Q559 WeakPolarHBondContact CA-O 3.49Å; Q539-Q559 HydrophobicContact CG-CB 4.35Å
540A65.1Low62.7Low12 Ų1249.4 Ų49.410%0.09925%0.25CS..EExtended strand (participates in β ladder)trans-131.7115.3-172.900000111.9V523 K542 Q559 G560V523-A540 HydrophobicContact CB-CB 4.09Å; V523-A540 HydrophobicContact CG2-CB 3.55Å; A540-K542 VanDerWaalsContact C-N 3.28Å; A540-K542 PolarHBondContact O-N 2.86Å; A540-Q559 PolarHBondContact N-O 2.87Å; A540-G560 WeakPolarHBondContact O-CA 3.35Å
541K61.4Low62.3Low123 Ų12354.3 Ų54.354%0.53527%0.267SS..SBendtrans-68.8-25.1178.2-67.6-166.9178.1-167.90113.7A519 K561A519-K541 PolarHBondContact O-N 2.86Å; K541-K561 WeakPolarHBondContact O-CB 3.48Å
542K58Low62Low145 Ų14554.3 Ų54.363%0.6327%0.267SS*.SBendtrans-163.4129.3168.3-177.1-165.1178-165.60106.9G522 A540G522-K542 PolarHBondContact N-O 2.81Å; A540-K542 VanDerWaalsContact C-N 3.28Å; A540-K542 PolarHBondContact O-N 2.86Å
543G53.8Low61.7Low5 Ų550.6 Ų50.65%0.05225%0.252CS..BIsolated β-bridgetrans160.1172.2175.300000111
544E54.3Low61.7Low104 Ų10455 Ų5549%0.48627%0.27SS..PPolyproline II helixtrans-67.6160.2172.5-64177.9-174.900112E524E524-E544 HydrophobicContact CG-CB 4.32Å; E524-E544 HydrophobicContact CG-CG 4.17Å
545G55.7Low61.7Low21 Ų2152.2 Ų52.222%0.21626%0.259CS..PPolyproline II helixtrans-79.3137178.900000112.5E564G545-E564 VanDerWaalsContact CA-O 3.24Å; G545-E564 WeakPolarHBondContact CA-O 3.4Å; G545-E564 PolarHBondContact N-O 3.34Å
546G59.2Low61.9Low2 Ų250.3 Ų50.32%0.02124%0.243CC..PPolyproline II helixtrans-63.9138.7175.700000112.4A526 N548 A566A526-G546 CarbonylContact O-C 3.5Å; A526-G546 WeakPolarHBondContact O-CA 3.26Å; G546-N548 PolarHBondContact O-ND2 2.99Å; G546-A566 VanDerWaalsContact O-CB 3.31Å; G546-A566 WeakPolarHBondContact O-CB 3.43Å
547Q63.3Low61.7Low69 Ų6952.1 Ų52.132%0.32225%0.251SS..EExtended strand (participates in β ladder)trans-77.9138.6174.6-61.5174-14.500110.1A526 Q527 N528A526-Q547 PolarHBondContact O-N 2.92Å; Q527-Q547 WeakPolarHBondContact CA-O 3.26Å; Q527-Q547 HydrophobicContact CG-CB 4.31Å; N528-Q547 PolarHBondContact N-O 2.88Å
548N65Low61.4Low1 Ų151 Ų511%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-137.1126.2-176.4-55.2-73.9000111N528 N536 G546 P556 Q567 K568N528-N548 WeakPolarHBondContact CB-OD1 3.29Å; N528-N548 PolarHBondContact ND2-OD1 3.35Å; N528-N548 CarbonylContact O-C 3.52Å; N528-N548 WeakPolarHBondContact O-CA 3.34Å; N536-N548 PolarHBondContact ND2-OD1 2.64Å; G546-N548 PolarHBondContact O-ND2 2.99Å; N548-P556 HydrophobicContact CB-CG 4.04Å; N548-Q567 PolarHBondContact N-O 2.99Å; N548-K568 WeakPolarHBondContact O-CA 3.2Å; N548-K568 WeakPolarHBondContact O-CG 3.31Å
549Q63.2Low61Low66 Ų6654.1 Ų54.131%0.30826%0.261SS..EExtended strand (participates in β ladder)trans-127.3116-175.9-61.4177.2-1.400109.8N528 Q529 G530N528-Q549 PolarHBondContact O-N 3.36Å; Q529-Q549 CarbonylContact C-O 3.54Å; Q529-Q549 VanDerWaalsContact CA-O 3.3Å; Q529-Q549 WeakPolarHBondContact CA-O 3.24Å; Q529-Q549 HydrophobicContact CG-CB 4.38Å; G530-Q549 PolarHBondContact N-O 3.1Å
550T59.2Low60.5Low20 Ų2052.4 Ų52.412%0.12326%0.258CS..EExtended strand (participates in β ladder)trans-149.194.6-163.140.30000111.6K552 D570T550-K552 PolarHBondContact O-N 2.85Å; T550-D570 PolarHBondContact N-OD1 2.83Å; T550-D570 PolarHBondContact N-OD2 3.38Å; T550-D570 PolarHBondContact OG1-OD2 2.84Å
551K59.3Low60.1Low121 Ų12157.6 Ų57.653%0.52628%0.279SS..EExtended strand (participates in β ladder)trans-56.2-26.1-166.4-56.5-161.2-178.6-155.60115.4G530 K531 D570G530-K551 PolarHBondContact O-N 2.96Å; K531-K551 HydrophobicContact CG-CD 4.41Å; K551-D570 VanDerWaalsContact CA-OD1 3.32Å; K551-D570 WeakPolarHBondContact CA-OD1 3.36Å; K551-D570 PolarHBondContact N-OD1 2.88Å; K551-D570 VanDerWaalsContact N-OD1 3.13Å
552K58.2Low59.8Low120 Ų12055.3 Ų55.352%0.52227%0.269SS..EExtended strand (participates in β ladder)trans-152.1128.7162177.8-179.2176.9-1790108.6K531 K532 T550K531-K552 PolarHBondContact O-N 3.08Å; K531-K552 VanDerWaalsContact O-N 3.12Å; K532-K552 WeakPolarHBondContact CA-O 3.39Å; T550-K552 PolarHBondContact O-N 2.85Å
553G58.4Low59.4Low7 Ų749.4 Ų49.47%0.07225%0.249CC..EExtended strand (participates in β ladder)trans173.8174.1176.600000113.9G533 E574G533-G553 WeakPolarHBondContact O-CA 3.29Å; G553-E574 PolarHBondContact O-N 2.65Å
554E59.5Low59.3Low104 Ų10452.1 Ų52.149%0.48626%0.261SS..PPolyproline II helixtrans-67156.2167.5-64.1-176.2140.400111.2G533 E534 A535G533-E554 PolarHBondContact O-N 3.24Å; E534-E554 HydrophobicContact CG-CG 4.17Å; A535-E554 PolarHBondContact N-OE2 3.31Å
555G57.9Low59.1Low8 Ų849.7 Ų49.78%0.08226%0.258CS..PPolyproline II helixtrans-73.7146173.400000113E574 G575G555-E574 PolarHBondContact N-O 2.94Å; G555-G575 VanDerWaalsContact CA-O 3.26Å; G555-G575 WeakPolarHBondContact CA-O 3.4Å; G555-G575 PolarHBondContact N-O 2.92Å; G555-G575 VanDerWaalsContact N-O 3.13Å
556P64.5Low59.2Low3 Ų348.8 Ų48.82%0.01925%0.248CC..PPolyproline II helixtrans-58.6150.6167.726.2-36.1000112.4N536 N548 K568 Q577N536-P556 HydrophobicContact CB-CB 4.18Å; N536-P556 CarbonylContact O-C 3.53Å; N536-P556 WeakPolarHBondContact O-CA 3.4Å; N536-P556 VanDerWaalsContact O-CB 3.26Å; N536-P556 WeakPolarHBondContact O-CB 3.4Å; N548-P556 HydrophobicContact CB-CG 4.04Å; P556-K568 VanDerWaalsContact CD-CE 3.47Å; P556-Q577 PolarHBondContact O-N 3.43Å
557Q63.8Low59.2Low56 Ų5653.7 Ų53.726%0.26227%0.271SS..EExtended strand (participates in β ladder)trans-98.3116.9167.7-58179.4-50.900109.1N536 Q537 N538 Q577N536-Q557 PolarHBondContact O-N 2.84Å; Q537-Q557 VanDerWaalsContact CA-O 3.3Å; Q537-Q557 WeakPolarHBondContact CA-O 2.78Å; Q537-Q557 HydrophobicContact CG-CB 4.34Å; N538-Q557 PolarHBondContact N-O 3.37Å; N538-Q557 VanDerWaalsContact N-O 3.08Å; Q557-Q577 CarbonylContact C-O 3.49Å; Q557-Q577 VanDerWaalsContact CA-O 3.27Å; Q557-Q577 WeakPolarHBondContact CA-O 3.39Å; Q557-Q577 HydrophobicContact CG-CB 4.29Å
558N66.8Low59Low19 Ų1950.5 Ų50.510%0.10226%0.256CS..EExtended strand (participates in β ladder)trans-106133.4175-51.2-61.9000110.2N538 Q577 N578 Q579N538-N558 WeakPolarHBondContact CB-OD1 3.36Å; N538-N558 PolarHBondContact ND2-OD1 3.25Å; N538-N558 VanDerWaalsContact O-CA 3.29Å; N538-N558 WeakPolarHBondContact O-CA 3.39Å; N558-Q577 PolarHBondContact N-O 3.43Å; N558-N578 WeakPolarHBondContact CB-OD1 3.35Å; N558-N578 PolarHBondContact ND2-OD1 2.64Å; N558-N578 WeakPolarHBondContact O-CA 3.34Å; N558-Q579 PolarHBondContact O-N 2.96Å
559Q63.4Low58.7Low73 Ų7355.4 Ų55.434%0.34128%0.279SS..EExtended strand (participates in β ladder)trans-127.9125.9-179.4-61.1-170.9-0.700111.6N538 Q539 A540 Q579N538-Q559 PolarHBondContact O-N 3.24Å; Q539-Q559 CarbonylContact C-O 3.45Å; Q539-Q559 WeakPolarHBondContact CA-O 3.49Å; Q539-Q559 HydrophobicContact CG-CB 4.35Å; A540-Q559 PolarHBondContact N-O 2.87Å; Q559-Q579 WeakPolarHBondContact CA-O 3.4Å; Q559-Q579 HydrophobicContact CG-CB 4.43Å
560G60Low58.4Low21 Ų2153.1 Ų53.122%0.21627%0.269CS..EExtended strand (participates in β ladder)trans-167.9170.2-177.100000117.2A540 Q579 G580 K581A540-G560 WeakPolarHBondContact O-CA 3.35Å; G560-Q579 PolarHBondContact N-O 2.86Å; G560-G580 WeakPolarHBondContact O-CA 3.37Å; G560-K581 PolarHBondContact O-N 2.85Å
561K56.8Low58.5Low121 Ų12158.6 Ų58.653%0.52629%0.291SS..EExtended strand (participates in β ladder)trans-86.9-43.8174.5-61.5-175.9174.9-1780111.8K541 K581 K582K541-K561 WeakPolarHBondContact O-CB 3.48Å; K561-K581 WeakPolarHBondContact O-CB 3.43Å; K561-K582 PolarHBondContact O-N 2.9Å; K561-K582 VanDerWaalsContact O-N 3.07Å
562K54.7Low58.4Low75 Ų7556.6 Ų56.633%0.32628%0.282SS..EExtended strand (participates in β ladder)trans-129.5124.8159.1-166.7-154.4177.4-1570105.2E564 E584K562-E564 HydrophobicContact CD-CG 4.49Å; K562-E564 WeakPolarHBondContact CE-OE1 3.44Å; K562-E564 IonicContact NZ-OE1 3.79Å; K562-E564 PolarHBondContact NZ-OE1 3.2Å; K562-E564 IonicContact NZ-OE2 2.88Å; K562-E564 PolarHBondContact NZ-OE2 3.48Å; K562-E584 VanDerWaalsContact CE-OE1 3.28Å; K562-E584 WeakPolarHBondContact CE-OE1 3.2Å
563G50Low58.4Low21 Ų2151 Ų5122%0.21626%0.258CS..EExtended strand (participates in β ladder)trans-142.8124.3178.600000108.4K582 E584G563-K582 PolarHBondContact N-O 3.35Å; G563-E584 PolarHBondContact O-N 3.42Å
564E51.9Low58.4Low63 Ų6353.7 Ų53.729%0.29427%0.269SS..  trans-94.6170.2-166.5-45-170.6-161.700110.9G545 K562 A566 E584G545-E564 VanDerWaalsContact CA-O 3.24Å; G545-E564 WeakPolarHBondContact CA-O 3.4Å; G545-E564 PolarHBondContact N-O 3.34Å; K562-E564 HydrophobicContact CD-CG 4.49Å; K562-E564 WeakPolarHBondContact CE-OE1 3.44Å; K562-E564 IonicContact NZ-OE1 3.79Å; K562-E564 PolarHBondContact NZ-OE1 3.2Å; K562-E564 IonicContact NZ-OE2 2.88Å; K562-E564 PolarHBondContact NZ-OE2 3.48Å; E564-A566 PolarHBondContact O-N 3Å; E564-E584 VanDerWaalsContact CA-OE2 3.27Å; E564-E584 WeakPolarHBondContact CA-OE2 2.96Å; E564-E584 WeakPolarHBondContact CB-OE2 3.34Å
565A50.6Low58.5Low52 Ų5250.4 Ų50.443%0.4326%0.262SS..  trans-56.1109.2-166.800000114.7Q567 G585A565-Q567 PolarHBondContact O-N 3.17Å; A565-G585 WeakPolarHBondContact CA-O 3.2Å; A565-G585 WeakPolarHBondContact CB-O 3.27Å
566A58.2Low58.8Low2 Ų250 Ų502%0.01726%0.258CS..  trans-66.5128.7167.200000110.4G546 E564 T586 S587G546-A566 VanDerWaalsContact O-CB 3.31Å; G546-A566 WeakPolarHBondContact O-CB 3.43Å; E564-A566 PolarHBondContact O-N 3Å; A566-T586 HydrophobicContact CB-CG2 4.43Å; A566-T586 CarbonylContact O-C 3.57Å; A566-T586 VanDerWaalsContact O-CA 3.26Å; A566-T586 WeakPolarHBondContact O-CA 3.41Å; A566-T586 WeakPolarHBondContact O-CG2 3.49Å; A566-S587 PolarHBondContact O-N 2.93Å
567Q57.9Low58.9Low105 Ų10552.9 Ų52.949%0.49127%0.271SS..EExtended strand (participates in β ladder)trans-93.2144.3174.5-63.5-176.94.200111.9N548 A565N548-Q567 PolarHBondContact N-O 2.99Å; A565-Q567 PolarHBondContact O-N 3.17Å
568K60.1Low59.1Low2 Ų250.6 Ų50.61%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-135.6146.9170.5-54.3-170.4-168.5164.10112.4N548 P556 I573 T586 S587 N588 Q589N548-K568 WeakPolarHBondContact O-CA 3.2Å; N548-K568 WeakPolarHBondContact O-CG 3.31Å; P556-K568 VanDerWaalsContact CD-CE 3.47Å; K568-I573 HydrophobicContact CB-CD1 3.9Å; K568-I573 HydrophobicContact CD-CD1 3.73Å; K568-I573 HydrophobicContact CD-CG1 4.24Å; K568-I573 HydrophobicContact CD-CG2 4.26Å; K568-I573 VanDerWaalsContact NZ-CG2 3.31Å; K568-T586 HydrophobicContact CD-CG2 4.14Å; K568-T586 HydrophobicContact CG-CG2 3.89Å; K568-S587 PolarHBondContact N-O 2.96Å; K568-N588 WeakPolarHBondContact CD-OD1 3.41Å; K568-Q589 PolarHBondContact O-N 2.93Å
569Q58.5Low59Low105 Ų10553.4 Ų53.449%0.49127%0.274SS..EExtended strand (participates in β ladder)trans-139.995.3-178.8-69.7-175.2-2400111.1Q589Q569-Q589 CarbonylContact C-O 3.47Å; Q569-Q589 WeakPolarHBondContact CA-O 3.25Å; Q569-Q589 HydrophobicContact CG-CB 4.31Å
570D56.8Low59.1Low18 Ų1851.1 Ų51.110%0.09627%0.27CS..EExtended strand (participates in β ladder)trans-149.2173.5-163.9-81.6-53.8000117.4T550 K551 I573 Q589 G590 K591T550-D570 PolarHBondContact N-OD1 2.83Å; T550-D570 PolarHBondContact N-OD2 3.38Å; T550-D570 PolarHBondContact OG1-OD2 2.84Å; K551-D570 VanDerWaalsContact CA-OD1 3.32Å; K551-D570 WeakPolarHBondContact CA-OD1 3.36Å; K551-D570 PolarHBondContact N-OD1 2.88Å; K551-D570 VanDerWaalsContact N-OD1 3.13Å; D570-I573 HydrophobicContact CB-CD1 3.8Å; D570-I573 HydrophobicContact CB-CG1 3.79Å; D570-Q589 PolarHBondContact N-O 3.02Å; D570-G590 WeakPolarHBondContact O-CA 2.99Å; D570-K591 PolarHBondContact O-N 2.89Å
571K60.8Low59.2Low134 Ų13455.8 Ų55.858%0.58328%0.284SS*.EExtended strand (participates in β ladder)trans-86.7-48.4178.4-70.1-173.1178-176.60113.1K591 K592K571-K591 WeakPolarHBondContact O-CB 3.47Å; K571-K592 PolarHBondContact O-N 2.63Å
572K58.2Low59.6Low80 Ų8055 Ų5535%0.34828%0.281SS..EExtended strand (participates in β ladder)trans-142.1126172.6-166.4-160.3-179.4-158.80108.7E574 K592K572-E574 VanDerWaalsContact CD-OE1 3.29Å; K572-E574 WeakPolarHBondContact CD-OE1 2.72Å; K572-E574 WeakPolarHBondContact CE-OE1 3.23Å; K572-E574 IonicContact NZ-OE1 2.68Å; K572-E574 PolarHBondContact NZ-OE1 2.83Å; K572-K592 WeakPolarHBondContact CA-O 3.36Å; K572-K592 HydrophobicContact CG-CB 4.1Å; K572-K592 HydrophobicContact CG-CD 4.04Å
573I58.1Low60Low2 Ų251.8 Ų51.81%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-118136.5172.9-68.5154.3000107.7K568 D570 N588 K592K568-I573 HydrophobicContact CB-CD1 3.9Å; K568-I573 HydrophobicContact CD-CD1 3.73Å; K568-I573 HydrophobicContact CD-CG1 4.24Å; K568-I573 HydrophobicContact CD-CG2 4.26Å; K568-I573 VanDerWaalsContact NZ-CG2 3.31Å; D570-I573 HydrophobicContact CB-CD1 3.8Å; D570-I573 HydrophobicContact CB-CG1 3.79Å; I573-N588 HydrophobicContact CD1-CB 4.35Å; I573-K592 PolarHBondContact N-O 2.96Å
574E58.5Low60.7Low64 Ų6452.3 Ų52.330%0.29926%0.264SS..  trans-99.4155.6161-76.6129.4-121.500110.3G553 G555 K572 E594G553-E574 PolarHBondContact O-N 2.65Å; G555-E574 PolarHBondContact N-O 2.94Å; K572-E574 VanDerWaalsContact CD-OE1 3.29Å; K572-E574 WeakPolarHBondContact CD-OE1 2.72Å; K572-E574 WeakPolarHBondContact CE-OE1 3.23Å; K572-E574 IonicContact NZ-OE1 2.68Å; K572-E574 PolarHBondContact NZ-OE1 2.83Å; E574-E594 VanDerWaalsContact CA-OE2 3.22Å; E574-E594 WeakPolarHBondContact CA-OE2 3.44Å
575G60.3Low61.1Low34 Ų3449.7 Ų49.735%0.35125%0.254SS..  trans-41.9144.9-161.300000118.8G555 E594G555-G575 VanDerWaalsContact CA-O 3.26Å; G555-G575 WeakPolarHBondContact CA-O 3.4Å; G555-G575 PolarHBondContact N-O 2.92Å; G555-G575 VanDerWaalsContact N-O 3.13Å; G575-E594 PolarHBondContact N-OE2 2.83Å; G575-E594 VanDerWaalsContact N-OE2 3.09Å
576A65.7Low61.7Low0 Ų047.2 Ų47.20%023%0.234CC..EExtended strand (participates in β ladder)trans-97.7159.4171.800000111.8A596 Q597A576-A596 HydrophobicContact CB-CB 4.09Å; A576-A596 CarbonylContact O-C 3.55Å; A576-A596 WeakPolarHBondContact O-CA 3.3Å; A576-Q597 PolarHBondContact O-N 3.04Å
577Q65.8Low61.9Low63 Ų6348.1 Ų48.129%0.29424%0.24SC..EExtended strand (participates in β ladder)trans-128.5125.2174-61-173.7-37.400111.8P556 Q557 N558 Q597P556-Q577 PolarHBondContact O-N 3.43Å; Q557-Q577 CarbonylContact C-O 3.49Å; Q557-Q577 VanDerWaalsContact CA-O 3.27Å; Q557-Q577 WeakPolarHBondContact CA-O 3.39Å; Q557-Q577 HydrophobicContact CG-CB 4.29Å; N558-Q577 PolarHBondContact N-O 3.43Å; Q577-Q597 CarbonylContact C-O 3.56Å; Q577-Q597 WeakPolarHBondContact CA-O 2.76Å; Q577-Q597 HydrophobicContact CG-CB 4.31Å
578N67.8Low62.1Low9 Ų943.3 Ų43.35%0.04822%0.218CC..EExtended strand (participates in β ladder)trans-120.9116176.1-52.8-61.9000110.4N558 P583 T586 A596 Q597 N598 Q599N558-N578 WeakPolarHBondContact CB-OD1 3.35Å; N558-N578 PolarHBondContact ND2-OD1 2.64Å; N558-N578 WeakPolarHBondContact O-CA 3.34Å; N578-P583 HydrophobicContact CB-CB 3.78Å; N578-P583 WeakPolarHBondContact O-CB 3.33Å; N578-T586 PolarHBondContact ND2-OG1 2.88Å; N578-A596 WeakPolarHBondContact ND2-CB 3.5Å; N578-Q597 PolarHBondContact N-O 3.05Å; N578-N598 WeakPolarHBondContact CB-OD1 3.33Å; N578-N598 PolarHBondContact ND2-OD1 3.45Å; N578-N598 CarbonylContact O-C 3.27Å; N578-N598 WeakPolarHBondContact O-CA 3.49Å; N578-Q599 PolarHBondContact O-N 3.44Å
579Q65.8Low62.2Low78 Ų7846.8 Ų46.836%0.36423%0.234SC..EExtended strand (participates in β ladder)trans-113.7131.3-178-62.1-175.9-5.200111.5N558 Q559 G560 Q599N558-Q579 PolarHBondContact O-N 2.96Å; Q559-Q579 WeakPolarHBondContact CA-O 3.4Å; Q559-Q579 HydrophobicContact CG-CB 4.43Å; G560-Q579 PolarHBondContact N-O 2.86Å; Q579-Q599 WeakPolarHBondContact CA-O 3.46Å; Q579-Q599 HydrophobicContact CG-CB 4.4Å
580G64.8Low62.3Low25 Ų2543.1 Ų43.126%0.25822%0.224SC..EExtended strand (participates in β ladder)trans-180-170.2179.900000118.7G560 Q599 G600G560-G580 WeakPolarHBondContact O-CA 3.37Å; G580-Q599 PolarHBondContact N-O 3Å; G580-G600 WeakPolarHBondContact O-CA 3.36Å
581K62.9Low62.6Low119 Ų11948.1 Ų48.152%0.51725%0.245SC..EExtended strand (participates in β ladder)trans-78.5-44.7165.5-65.5-172.8175.6-171.30110.4G560 K561 K601 K602G560-K581 PolarHBondContact O-N 2.85Å; K561-K581 WeakPolarHBondContact O-CB 3.43Å; K581-K601 WeakPolarHBondContact O-CA 3.4Å; K581-K601 WeakPolarHBondContact O-CB 3.36Å; K581-K601 PolarHBondContact O-N 2.84Å; K581-K602 PolarHBondContact O-N 3.33Å; K581-K602 VanDerWaalsContact O-N 3.09Å
582K64.8Low62.8Low104 Ų10444 Ų4445%0.45223%0.227SC..EExtended strand (participates in β ladder)trans-126.990.8166.5-63.2-167.7176.3-170.30109.9K561 G563 K602K561-K582 PolarHBondContact O-N 2.9Å; K561-K582 VanDerWaalsContact O-N 3.07Å; G563-K582 PolarHBondContact N-O 3.35Å; K582-K602 WeakPolarHBondContact CA-O 3.44Å; K582-K602 HydrophobicContact CG-CB 4.27Å
583P62.3Low62.9Low7 Ų740.4 Ų40.45%0.04521%0.213CC..EExtended strand (participates in β ladder)trans-80.6125.7160.930.3-34.4000110.8N578 N598 K602 G603 E604N578-P583 HydrophobicContact CB-CB 3.78Å; N578-P583 WeakPolarHBondContact O-CB 3.33Å; P583-N598 HydrophobicContact CB-CB 4.37Å; P583-N598 HydrophobicContact CG-CB 4.2Å; P583-K602 VanDerWaalsContact CD-O 3.29Å; P583-K602 WeakPolarHBondContact CD-O 3.34Å; P583-G603 WeakPolarHBondContact O-CA 3.12Å; P583-E604 PolarHBondContact O-N 3.25Å
584E63.9Low63.3Low32 Ų3242.1 Ų42.115%0.1522%0.221CC..PPolyproline II helixtrans-97.6154.9172.4-67.1160.3-147.300110.1K562 G563 E564K562-E584 VanDerWaalsContact CE-OE1 3.28Å; K562-E584 WeakPolarHBondContact CE-OE1 3.2Å; G563-E584 PolarHBondContact O-N 3.42Å; E564-E584 VanDerWaalsContact CA-OE2 3.27Å; E564-E584 WeakPolarHBondContact CA-OE2 2.96Å; E564-E584 WeakPolarHBondContact CB-OE2 3.34Å
585G61.2Low63.5Low8 Ų839.4 Ų39.48%0.08221%0.211CC..PPolyproline II helixtrans-71.5145.5-170.400000114A565 E604A565-G585 WeakPolarHBondContact CA-O 3.2Å; A565-G585 WeakPolarHBondContact CB-O 3.27Å; G585-E604 WeakPolarHBondContact CA-O 3.4Å; G585-E604 PolarHBondContact N-O 2.82Å
586T63.7Low63.9Low0 Ų037.9 Ų37.90%020%0.195CC..PPolyproline II helixtrans-73.9130.5170.1-560000110A566 K568 N578 N588 A606A566-T586 HydrophobicContact CB-CG2 4.43Å; A566-T586 CarbonylContact O-C 3.57Å; A566-T586 VanDerWaalsContact O-CA 3.26Å; A566-T586 WeakPolarHBondContact O-CA 3.41Å; A566-T586 WeakPolarHBondContact O-CG2 3.49Å; K568-T586 HydrophobicContact CD-CG2 4.14Å; K568-T586 HydrophobicContact CG-CG2 3.89Å; N578-T586 PolarHBondContact ND2-OG1 2.88Å; T586-N588 WeakPolarHBondContact CG2-OD1 3.32Å; T586-A606 WeakPolarHBondContact O-CA 3.48Å; T586-A606 WeakPolarHBondContact O-CB 3.46Å
587S62.8Low64Low22 Ų2241.5 Ų41.515%0.15421%0.211CC..EExtended strand (participates in β ladder)trans-91120.3171.5-171.40000110.1A566 K568 Q607A566-S587 PolarHBondContact O-N 2.93Å; K568-S587 PolarHBondContact N-O 2.96Å; S587-Q607 CarbonylContact C-O 3.46Å; S587-Q607 WeakPolarHBondContact CA-O 3Å
588N62Low64.2Low3 Ų338.5 Ų38.52%0.01620%0.197CC..EExtended strand (participates in β ladder)trans-113116.6-177.5-61.4-48.7000110.4K568 I573 T586 E594 Q607 N608 Q609K568-N588 WeakPolarHBondContact CD-OD1 3.41Å; I573-N588 HydrophobicContact CD1-CB 4.35Å; T586-N588 WeakPolarHBondContact CG2-OD1 3.32Å; N588-E594 PolarHBondContact ND2-O 3.02Å; N588-Q607 PolarHBondContact N-O 2.63Å; N588-N608 WeakPolarHBondContact CB-OD1 3.36Å; N588-N608 PolarHBondContact ND2-OD1 3Å; N588-N608 WeakPolarHBondContact O-CA 3.48Å; N588-Q609 PolarHBondContact O-N 2.87Å
589Q61.6Low64.1Low75 Ų7541.9 Ų41.935%0.3521%0.213SC..EExtended strand (participates in β ladder)trans-105.2125.4169.3-64.7177.6-32.900109.3K568 Q569 D570 Q609K568-Q589 PolarHBondContact O-N 2.93Å; Q569-Q589 CarbonylContact C-O 3.47Å; Q569-Q589 WeakPolarHBondContact CA-O 3.25Å; Q569-Q589 HydrophobicContact CG-CB 4.31Å; D570-Q589 PolarHBondContact N-O 3.02Å; Q589-Q609 WeakPolarHBondContact CA-O 3.28Å; Q589-Q609 HydrophobicContact CG-CB 4.4Å; Q589-Q609 VanDerWaalsContact NE2-OE1 3.14Å
590G61.5Low64.1Low28 Ų2839.2 Ų39.229%0.28921%0.206SC..EExtended strand (participates in β ladder)trans179-171-176.200000119.4D570 Q609 G610D570-G590 WeakPolarHBondContact O-CA 2.99Å; G590-Q609 PolarHBondContact N-O 3.49Å; G590-G610 WeakPolarHBondContact O-CA 3.32Å
591K63Low64.2Low123 Ų12344 Ų4454%0.53522%0.22SC..EExtended strand (participates in β ladder)trans-84.4-49.8173.4-70.6-172.7-179.9-175.30111.8D570 K571 K611 K612D570-K591 PolarHBondContact O-N 2.89Å; K571-K591 WeakPolarHBondContact O-CB 3.47Å; K591-K611 WeakPolarHBondContact O-CB 3.28Å; K591-K611 PolarHBondContact O-N 3.07Å; K591-K612 PolarHBondContact O-N 3.01Å
592K63.2Low64.5Low47 Ų4740.7 Ų40.720%0.20421%0.206CC..EExtended strand (participates in β ladder)trans-122.4129.2163.7-160.6-144.1-176-155.50109K571 K572 I573 E594 K612 E614K571-K592 PolarHBondContact O-N 2.63Å; K572-K592 WeakPolarHBondContact CA-O 3.36Å; K572-K592 HydrophobicContact CG-CB 4.1Å; K572-K592 HydrophobicContact CG-CD 4.04Å; I573-K592 PolarHBondContact N-O 2.96Å; K592-E594 IonicContact NZ-OE1 2.77Å; K592-E594 PolarHBondContact NZ-OE1 3.35Å; K592-K612 WeakPolarHBondContact CA-O 3.45Å; K592-K612 HydrophobicContact CG-CB 4.05Å; K592-K612 HydrophobicContact CG-CD 4.2Å; K592-E614 WeakPolarHBondContact CE-OE1 3.42Å; K592-E614 IonicContact NZ-OE1 2.64Å; K592-E614 PolarHBondContact NZ-OE1 3.47Å; K592-E614 IonicContact NZ-OE2 2.65Å
593G62.3Low64.4Low6 Ų635.8 Ų35.86%0.06218%0.184CC..EExtended strand (participates in β ladder)trans-131.5136.8171.100000111.5K612 G613 E614G593-K612 PolarHBondContact N-O 2.9Å; G593-K612 VanDerWaalsContact N-O 3.08Å; G593-G613 WeakPolarHBondContact O-CA 3.33Å; G593-E614 PolarHBondContact O-N 2.81Å
594E65.1Low64.7Low37 Ų3737.8 Ų37.817%0.17319%0.193CC..EExtended strand (participates in β ladder)trans-104.9139.3171.1-74.3163.1-142.900109.6E574 G575 N588 K592 E614E574-E594 VanDerWaalsContact CA-OE2 3.22Å; E574-E594 WeakPolarHBondContact CA-OE2 3.44Å; G575-E594 PolarHBondContact N-OE2 2.83Å; G575-E594 VanDerWaalsContact N-OE2 3.09Å; N588-E594 PolarHBondContact ND2-O 3.02Å; K592-E594 IonicContact NZ-OE1 2.77Å; K592-E594 PolarHBondContact NZ-OE1 3.35Å; E594-E614 HydrophobicContact CG-CB 4.41Å
595G63.9Low64.8Low8 Ų837.1 Ų37.18%0.08219%0.194CC..  trans-65.1165.5-178.400000113.3E614G595-E614 WeakPolarHBondContact CA-O 3.25Å; G595-E614 PolarHBondContact N-O 3.47Å
596A68.6Low65.1Low1 Ų136.7 Ų36.71%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-80.3144173.500000111.6A576 N578 N598 A616 Q617A576-A596 HydrophobicContact CB-CB 4.09Å; A576-A596 CarbonylContact O-C 3.55Å; A576-A596 WeakPolarHBondContact O-CA 3.3Å; N578-A596 WeakPolarHBondContact ND2-CB 3.5Å; A596-N598 WeakPolarHBondContact CB-OD1 3.49Å; A596-A616 CarbonylContact O-C 3.54Å; A596-A616 VanDerWaalsContact O-CA 3.28Å; A596-A616 WeakPolarHBondContact O-CA 3.41Å; A596-A616 VanDerWaalsContact O-CB 3.25Å; A596-A616 WeakPolarHBondContact O-CB 3.31Å; A596-Q617 PolarHBondContact O-N 3Å
597Q67.6Low65.2Low76 Ų7641 Ų4136%0.35521%0.21SC..EExtended strand (participates in β ladder)trans-85.3113.7159.4-61.2-174.1-43.400108.6A576 Q577 N578 Q617A576-Q597 PolarHBondContact O-N 3.04Å; Q577-Q597 CarbonylContact C-O 3.56Å; Q577-Q597 WeakPolarHBondContact CA-O 2.76Å; Q577-Q597 HydrophobicContact CG-CB 4.31Å; N578-Q597 PolarHBondContact N-O 3.05Å; Q597-Q617 CarbonylContact C-O 3.59Å; Q597-Q617 VanDerWaalsContact CA-O 3.32Å; Q597-Q617 WeakPolarHBondContact CA-O 3.34Å; Q597-Q617 HydrophobicContact CG-CB 4.31Å
598N68.6Low65.4Low0 Ų040 Ų400%020%0.204CC..EExtended strand (participates in β ladder)trans-111.2120.6-179-58.1-41.2000110.2N578 P583 A596 E604 Q617 N618 Q619N578-N598 WeakPolarHBondContact CB-OD1 3.33Å; N578-N598 PolarHBondContact ND2-OD1 3.45Å; N578-N598 CarbonylContact O-C 3.27Å; N578-N598 WeakPolarHBondContact O-CA 3.49Å; P583-N598 HydrophobicContact CB-CB 4.37Å; P583-N598 HydrophobicContact CG-CB 4.2Å; A596-N598 WeakPolarHBondContact CB-OD1 3.49Å; N598-E604 PolarHBondContact ND2-O 3.28Å; N598-Q617 PolarHBondContact N-O 2.78Å; N598-N618 WeakPolarHBondContact CB-OD1 3.29Å; N598-N618 PolarHBondContact ND2-OD1 2.9Å; N598-N618 WeakPolarHBondContact O-CA 2.9Å; N598-Q619 PolarHBondContact O-N 2.87Å
599Q67.3Low65.5Low81 Ų8143.6 Ų43.638%0.37922%0.22SC..EExtended strand (participates in β ladder)trans-117.1117.9180-68.1-179.1-21.700110.8N578 Q579 G580 Q619N578-Q599 PolarHBondContact O-N 3.44Å; Q579-Q599 WeakPolarHBondContact CA-O 3.46Å; Q579-Q599 HydrophobicContact CG-CB 4.4Å; G580-Q599 PolarHBondContact N-O 3Å; Q599-Q619 WeakPolarHBondContact CA-O 3.38Å; Q599-Q619 HydrophobicContact CG-CB 4.34Å
600G65.6Low65.6Low21 Ų2141.3 Ų41.322%0.21622%0.217CC..EExtended strand (participates in β ladder)trans-178.2-161.8-178.800000118.1G580 Q619 G620G580-G600 WeakPolarHBondContact O-CA 3.36Å; G600-Q619 PolarHBondContact N-O 3.42Å; G600-G620 WeakPolarHBondContact O-CA 3.16Å
601K66.8Low65.9Low125 Ų12545.7 Ų45.754%0.54323%0.228SC..EExtended strand (participates in β ladder)trans-88.1-41.1176.8-65-168.7178-172.90112K581 K621 K622K581-K601 WeakPolarHBondContact O-CA 3.4Å; K581-K601 WeakPolarHBondContact O-CB 3.36Å; K581-K601 PolarHBondContact O-N 2.84Å; K601-K621 WeakPolarHBondContact O-CA 3.34Å; K601-K621 WeakPolarHBondContact O-CB 3.31Å; K601-K621 PolarHBondContact O-N 2.93Å; K601-K622 PolarHBondContact O-N 2.83Å
602K68Low66.1Low51 Ų5142.6 Ų42.622%0.22221%0.214CC..EExtended strand (participates in β ladder)trans-124.4115.9163.7-168.3-154.7-173.6-140.50107.3K581 K582 P583 E604 K622 E624K581-K602 PolarHBondContact O-N 3.33Å; K581-K602 VanDerWaalsContact O-N 3.09Å; K582-K602 WeakPolarHBondContact CA-O 3.44Å; K582-K602 HydrophobicContact CG-CB 4.27Å; P583-K602 VanDerWaalsContact CD-O 3.29Å; P583-K602 WeakPolarHBondContact CD-O 3.34Å; K602-E604 HydrophobicContact CD-CG 4.37Å; K602-E604 WeakPolarHBondContact CD-OE1 3.34Å; K602-E604 WeakPolarHBondContact CE-OE1 3.27Å; K602-E604 IonicContact NZ-OE1 2.73Å; K602-E604 PolarHBondContact NZ-OE1 3.06Å; K602-E604 IonicContact NZ-OE2 3.29Å; K602-K622 CarbonylContact C-O 3.55Å; K602-K622 WeakPolarHBondContact CA-O 2.99Å; K602-K622 HydrophobicContact CG-CB 4.11Å; K602-K622 HydrophobicContact CG-CD 4.25Å; K602-K622 HydrophobicContact CG-CG 4.33Å; K602-E624 VanDerWaalsContact CE-CD 3.45Å; K602-E624 WeakPolarHBondContact CE-OE1 3.27Å; K602-E624 IonicContact NZ-OE1 2.65Å; K602-E624 PolarHBondContact NZ-OE1 2.82Å; K602-E624 IonicContact NZ-OE2 2.59Å; K602-E624 PolarHBondContact NZ-OE2 3.23Å
603G64.3Low66.2Low0 Ų040.6 Ų40.60%021%0.207CC..EExtended strand (participates in β ladder)trans-106.3144.1171.900000110.9P583 K622 G623 E624P583-G603 WeakPolarHBondContact O-CA 3.12Å; G603-K622 PolarHBondContact N-O 3.27Å; G603-G623 CarbonylContact O-C 3.58Å; G603-G623 WeakPolarHBondContact O-CA 3.44Å; G603-E624 PolarHBondContact O-N 3.43Å
604E68.3Low66.5Low50 Ų5042.2 Ų42.223%0.23421%0.213CC..EExtended strand (participates in β ladder)trans-124.7136.4179.8-57.2175.2-153.200109.8P583 G585 N598 K602P583-E604 PolarHBondContact O-N 3.25Å; G585-E604 WeakPolarHBondContact CA-O 3.4Å; G585-E604 PolarHBondContact N-O 2.82Å; N598-E604 PolarHBondContact ND2-O 3.28Å; K602-E604 HydrophobicContact CD-CG 4.37Å; K602-E604 WeakPolarHBondContact CD-OE1 3.34Å; K602-E604 WeakPolarHBondContact CE-OE1 3.27Å; K602-E604 IonicContact NZ-OE1 2.73Å; K602-E604 PolarHBondContact NZ-OE1 3.06Å; K602-E604 IonicContact NZ-OE2 3.29Å
605G65.2Low66.6Low17 Ų1741.1 Ų41.118%0.17521%0.212CC..PPolyproline II helixtrans-70.4156-169.400000114.4E624G605-E624 WeakPolarHBondContact CA-O 3.39Å; G605-E624 PolarHBondContact N-O 2.77Å
606A67.5Low66.9Low0 Ų040.8 Ų40.80%021%0.208CC..PPolyproline II helixtrans-65.3154.1171.100000112T586 A616 A626 Q627T586-A606 WeakPolarHBondContact O-CA 3.48Å; T586-A606 WeakPolarHBondContact O-CB 3.46Å; A606-A616 HydrophobicContact CB-CB 3.99Å; A606-A626 CarbonylContact O-C 3.6Å; A606-A626 WeakPolarHBondContact O-CA 3.49Å; A606-A626 WeakPolarHBondContact O-CB 3.28Å; A606-Q627 PolarHBondContact O-N 2.94Å
607Q67.2Low67Low90 Ų9044.3 Ų44.342%0.42122%0.224SC..EExtended strand (participates in β ladder)trans-103.3125.5158.2-71.9-174.8-38.500108.5S587 N588 Q627S587-Q607 CarbonylContact C-O 3.46Å; S587-Q607 WeakPolarHBondContact CA-O 3Å; N588-Q607 PolarHBondContact N-O 2.63Å; Q607-Q627 WeakPolarHBondContact CA-O 3.34Å; Q607-Q627 HydrophobicContact CG-CB 4.36Å
608N65.1Low67.1Low2 Ų240.8 Ų40.81%0.01121%0.208CC..EExtended strand (participates in β ladder)trans-116119.1175.5-66.5-58.4000109.8N588 E614 Q627 N628 Q629N588-N608 WeakPolarHBondContact CB-OD1 3.36Å; N588-N608 PolarHBondContact ND2-OD1 3Å; N588-N608 WeakPolarHBondContact O-CA 3.48Å; N608-E614 PolarHBondContact ND2-O 3.31Å; N608-Q627 PolarHBondContact N-O 2.95Å; N608-N628 WeakPolarHBondContact CB-OD1 3.41Å; N608-N628 PolarHBondContact ND2-OD1 2.87Å; N608-N628 WeakPolarHBondContact O-CA 3.39Å; N608-Q629 PolarHBondContact O-N 2.88Å
609Q64.4Low67Low78 Ų7844.9 Ų44.936%0.36423%0.227SC..EExtended strand (participates in β ladder)trans-116.7117.2175.4-69.1177.5-20.300109.7N588 Q589 G590 Q629N588-Q609 PolarHBondContact O-N 2.87Å; Q589-Q609 WeakPolarHBondContact CA-O 3.28Å; Q589-Q609 HydrophobicContact CG-CB 4.4Å; Q589-Q609 VanDerWaalsContact NE2-OE1 3.14Å; G590-Q609 PolarHBondContact N-O 3.49Å; Q609-Q629 WeakPolarHBondContact CA-O 3.46Å; Q609-Q629 HydrophobicContact CG-CB 4.46Å
610G64.4Low67Low27 Ų2742.2 Ų42.228%0.27822%0.221SC..EExtended strand (participates in β ladder)trans178.6-162.5-176.200000119.1G590 Q629 G630 K631G590-G610 WeakPolarHBondContact O-CA 3.32Å; G610-Q629 PolarHBondContact N-O 2.86Å; G610-G630 WeakPolarHBondContact O-CA 3.41Å; G610-K631 PolarHBondContact O-N 3.09Å
611K67.3Low67.2Low120 Ų12047 Ų4752%0.52224%0.236SC..EExtended strand (participates in β ladder)trans-84.4-45.2173.7-67.4-170.2179.2-172.50111.6K591 K631 K632K591-K611 WeakPolarHBondContact O-CB 3.28Å; K591-K611 PolarHBondContact O-N 3.07Å; K611-K631 CarbonylContact O-C 3.56Å; K611-K631 WeakPolarHBondContact O-CA 3.47Å; K611-K631 WeakPolarHBondContact O-CB 3.47Å; K611-K631 PolarHBondContact O-N 3Å; K611-K632 PolarHBondContact O-N 3.01Å
612K67.8Low67.4Low58 Ų5843.6 Ų43.625%0.25222%0.221SC..EExtended strand (participates in β ladder)trans-120.9131.9163.8-158.8-156.6-175.5-160.30109.3K591 K592 G593 E614 K632 E634K591-K612 PolarHBondContact O-N 3.01Å; K592-K612 WeakPolarHBondContact CA-O 3.45Å; K592-K612 HydrophobicContact CG-CB 4.05Å; K592-K612 HydrophobicContact CG-CD 4.2Å; G593-K612 PolarHBondContact N-O 2.9Å; G593-K612 VanDerWaalsContact N-O 3.08Å; K612-E614 HydrophobicContact CD-CG 4.38Å; K612-E614 WeakPolarHBondContact CD-OE1 3.38Å; K612-E614 WeakPolarHBondContact CE-OE1 3.49Å; K612-E614 IonicContact NZ-OE1 2.6Å; K612-E614 PolarHBondContact NZ-OE1 2.8Å; K612-K632 WeakPolarHBondContact CA-O 3.43Å; K612-K632 HydrophobicContact CG-CB 4.21Å; K612-E634 WeakPolarHBondContact CE-OE1 3.41Å; K612-E634 IonicContact NZ-OE1 3.66Å; K612-E634 PolarHBondContact NZ-OE1 2.85Å; K612-E634 IonicContact NZ-OE2 2.61Å; K612-E634 PolarHBondContact NZ-OE2 2.88Å
613G65.3Low67.3Low5 Ų541.3 Ų41.35%0.05221%0.212CC..EExtended strand (participates in β ladder)trans-129.7140.8170.300000111G593 K632 G633 E634G593-G613 WeakPolarHBondContact O-CA 3.33Å; G613-K632 PolarHBondContact N-O 3.38Å; G613-G633 CarbonylContact O-C 3.54Å; G613-G633 WeakPolarHBondContact O-CA 3.32Å; G613-E634 PolarHBondContact O-N 2.73Å
614E69Low67.6Low40 Ų4043 Ų4319%0.18722%0.22CC..EExtended strand (participates in β ladder)trans-122.5133.1178-54.5174.5-158.300108.5K592 G593 E594 G595 N608 K612 E634K592-E614 WeakPolarHBondContact CE-OE1 3.42Å; K592-E614 IonicContact NZ-OE1 2.64Å; K592-E614 PolarHBondContact NZ-OE1 3.47Å; K592-E614 IonicContact NZ-OE2 2.65Å; G593-E614 PolarHBondContact O-N 2.81Å; E594-E614 HydrophobicContact CG-CB 4.41Å; G595-E614 WeakPolarHBondContact CA-O 3.25Å; G595-E614 PolarHBondContact N-O 3.47Å; N608-E614 PolarHBondContact ND2-O 3.31Å; K612-E614 HydrophobicContact CD-CG 4.38Å; K612-E614 WeakPolarHBondContact CD-OE1 3.38Å; K612-E614 WeakPolarHBondContact CE-OE1 3.49Å; K612-E614 IonicContact NZ-OE1 2.6Å; K612-E614 PolarHBondContact NZ-OE1 2.8Å; E614-E634 HydrophobicContact CB-CB 4.45Å; E614-E634 HydrophobicContact CG-CB 4.31Å; E614-E634 WeakPolarHBondContact CG-OE2 3.49Å
615G66.1Low67.5Low14 Ų1441.4 Ų41.414%0.14422%0.217CC..  trans-67.5164.3-168.500000115.3E634G615-E634 PolarHBondContact N-O 3.47Å
616A71.2Confident67.7Low0 Ų040.6 Ų40.60%021%0.209CC..  trans-71.2154.6174.300000112.3A596 A606 A626 A636 Q637A596-A616 CarbonylContact O-C 3.54Å; A596-A616 VanDerWaalsContact O-CA 3.28Å; A596-A616 WeakPolarHBondContact O-CA 3.41Å; A596-A616 VanDerWaalsContact O-CB 3.25Å; A596-A616 WeakPolarHBondContact O-CB 3.31Å; A606-A616 HydrophobicContact CB-CB 3.99Å; A616-A626 HydrophobicContact CB-CB 3.96Å; A616-A636 CarbonylContact O-C 3.49Å; A616-A636 VanDerWaalsContact O-CA 3.23Å; A616-A636 WeakPolarHBondContact O-CA 3.34Å; A616-A636 VanDerWaalsContact O-CB 3.27Å; A616-A636 WeakPolarHBondContact O-CB 3.25Å; A616-Q637 PolarHBondContact O-N 3.07Å
617Q70.4Confident67.8Low75 Ų7544.1 Ų44.135%0.3523%0.225SC..EExtended strand (participates in β ladder)trans-108.1113166-66.8-177.3-43.900109.1A596 Q597 N598 Q637A596-Q617 PolarHBondContact O-N 3Å; Q597-Q617 CarbonylContact C-O 3.59Å; Q597-Q617 VanDerWaalsContact CA-O 3.32Å; Q597-Q617 WeakPolarHBondContact CA-O 3.34Å; Q597-Q617 HydrophobicContact CG-CB 4.31Å; N598-Q617 PolarHBondContact N-O 2.78Å; Q617-Q637 CarbonylContact C-O 3.51Å; Q617-Q637 WeakPolarHBondContact CA-O 3.15Å; Q617-Q637 HydrophobicContact CG-CB 4.35Å
618N68.8Low67.8Low2 Ų239.9 Ų39.91%0.01121%0.205CC..EExtended strand (participates in β ladder)trans-106.7122.9178.4-64.4-58.2000110.8N598 E624 Q637 N638 Q639N598-N618 WeakPolarHBondContact CB-OD1 3.29Å; N598-N618 PolarHBondContact ND2-OD1 2.9Å; N598-N618 WeakPolarHBondContact O-CA 2.9Å; N618-E624 PolarHBondContact ND2-O 3.02Å; N618-Q637 PolarHBondContact N-O 2.87Å; N618-N638 WeakPolarHBondContact CB-OD1 3.36Å; N618-N638 PolarHBondContact ND2-OD1 3.29Å; N618-Q639 PolarHBondContact O-N 3.33Å
619Q67.9Low68Low86 Ų8643.8 Ų43.840%0.40222%0.223SC..EExtended strand (participates in β ladder)trans-117120.5174.1-69.4177.5-23.500110.3N598 Q599 G600 Q639N598-Q619 PolarHBondContact O-N 2.87Å; Q599-Q619 WeakPolarHBondContact CA-O 3.38Å; Q599-Q619 HydrophobicContact CG-CB 4.34Å; G600-Q619 PolarHBondContact N-O 3.42Å; Q619-Q639 WeakPolarHBondContact CA-O 3.33Å; Q619-Q639 HydrophobicContact CG-CB 4.37Å
620G66.8Low68.1Low25 Ų2541.1 Ų41.126%0.25822%0.217SC..EExtended strand (participates in β ladder)trans178-163.4-179.100000118.5G600 Q639 G640G600-G620 WeakPolarHBondContact O-CA 3.16Å; G620-Q639 PolarHBondContact N-O 3.11Å; G620-G640 WeakPolarHBondContact O-CA 3.39Å
621K69.3Low68.4Low121 Ų12145.5 Ų45.553%0.52623%0.228SC..EExtended strand (participates in β ladder)trans-83.1-42.8172.8-67.9-170.1178.3-171.60111.4K601 K641 K642K601-K621 WeakPolarHBondContact O-CA 3.34Å; K601-K621 WeakPolarHBondContact O-CB 3.31Å; K601-K621 PolarHBondContact O-N 2.93Å; K621-K641 CarbonylContact O-C 3.55Å; K621-K641 WeakPolarHBondContact O-CA 3.39Å; K621-K641 WeakPolarHBondContact O-CB 3.15Å; K621-K641 PolarHBondContact O-N 2.89Å; K621-K642 PolarHBondContact O-N 2.96Å
622K71.1Confident68.7Low54 Ų5442.5 Ų42.524%0.23522%0.215CC..EExtended strand (participates in β ladder)trans-117.5138.8161.2-175.9177.2-172.7-169.60109.5K601 K602 G603 E624 K642 E644K601-K622 PolarHBondContact O-N 2.83Å; K602-K622 CarbonylContact C-O 3.55Å; K602-K622 WeakPolarHBondContact CA-O 2.99Å; K602-K622 HydrophobicContact CG-CB 4.11Å; K602-K622 HydrophobicContact CG-CD 4.25Å; K602-K622 HydrophobicContact CG-CG 4.33Å; G603-K622 PolarHBondContact N-O 3.27Å; K622-E624 HydrophobicContact CD-CG 4.41Å; K622-E624 WeakPolarHBondContact CD-OE1 3.23Å; K622-E624 WeakPolarHBondContact CE-OE1 3.34Å; K622-E624 IonicContact NZ-OE1 2.77Å; K622-E624 PolarHBondContact NZ-OE1 2.83Å; K622-K642 CarbonylContact C-O 3.49Å; K622-K642 VanDerWaalsContact CA-O 3.26Å; K622-K642 WeakPolarHBondContact CA-O 3.24Å; K622-K642 HydrophobicContact CG-CB 4.35Å; K622-E644 WeakPolarHBondContact CE-OE1 3.2Å; K622-E644 VanDerWaalsContact CE-OE2 3.31Å; K622-E644 WeakPolarHBondContact CE-OE2 3.49Å; K622-E644 IonicContact NZ-OE1 2.62Å; K622-E644 PolarHBondContact NZ-OE1 2.93Å; K622-E644 IonicContact NZ-OE2 2.76Å; K622-E644 PolarHBondContact NZ-OE2 3.14Å
623G66.1Low68.6Low3 Ų339.9 Ų39.93%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-128.5140.5166.500000110.6G603 K642 G643 E644G603-G623 CarbonylContact O-C 3.58Å; G603-G623 WeakPolarHBondContact O-CA 3.44Å; G623-K642 PolarHBondContact N-O 2.97Å; G623-G643 CarbonylContact O-C 3.56Å; G623-G643 WeakPolarHBondContact O-CA 3.35Å; G623-E644 PolarHBondContact O-N 2.81Å
624E69.9Low68.8Low37 Ų3741.2 Ų41.217%0.17321%0.209CC..EExtended strand (participates in β ladder)trans-118.5132.4175.9-62.8172.2-170.900108.6K602 G603 G605 N618 K622 E644K602-E624 VanDerWaalsContact CE-CD 3.45Å; K602-E624 WeakPolarHBondContact CE-OE1 3.27Å; K602-E624 IonicContact NZ-OE1 2.65Å; K602-E624 PolarHBondContact NZ-OE1 2.82Å; K602-E624 IonicContact NZ-OE2 2.59Å; K602-E624 PolarHBondContact NZ-OE2 3.23Å; G603-E624 PolarHBondContact O-N 3.43Å; G605-E624 WeakPolarHBondContact CA-O 3.39Å; G605-E624 PolarHBondContact N-O 2.77Å; N618-E624 PolarHBondContact ND2-O 3.02Å; K622-E624 HydrophobicContact CD-CG 4.41Å; K622-E624 WeakPolarHBondContact CD-OE1 3.23Å; K622-E624 WeakPolarHBondContact CE-OE1 3.34Å; K622-E624 IonicContact NZ-OE1 2.77Å; K622-E624 PolarHBondContact NZ-OE1 2.83Å; E624-E644 HydrophobicContact CB-CB 4.4Å; E624-E644 HydrophobicContact CG-CB 4.18Å
625G66.1Low68.7Low16 Ų1640.3 Ų40.317%0.16521%0.21CC..  trans-69.5161.8-168.700000115.4N638 E644 G645G625-N638 WeakPolarHBondContact CA-ND2 3.32Å; G625-E644 PolarHBondContact N-O 2.83Å; G625-E644 VanDerWaalsContact N-O 3.14Å; G625-G645 WeakPolarHBondContact CA-O 2.99Å; G625-G645 PolarHBondContact N-O 2.95Å
626A69.9Low69Low0 Ų039.7 Ų39.70%020%0.204CC..  trans-76.8159.4174.700000112.1A606 A616 A636 A646 Q647A606-A626 CarbonylContact O-C 3.6Å; A606-A626 WeakPolarHBondContact O-CA 3.49Å; A606-A626 WeakPolarHBondContact O-CB 3.28Å; A616-A626 HydrophobicContact CB-CB 3.96Å; A626-A636 HydrophobicContact CB-CB 3.85Å; A626-A646 CarbonylContact O-C 3.57Å; A626-A646 VanDerWaalsContact O-CA 3.24Å; A626-A646 WeakPolarHBondContact O-CA 3.5Å; A626-A646 VanDerWaalsContact O-CB 3.3Å; A626-A646 WeakPolarHBondContact O-CB 2.72Å; A626-Q647 PolarHBondContact O-N 3.26Å
627Q69.9Low69Low73 Ų7343 Ų4334%0.34122%0.219SC..EExtended strand (participates in β ladder)trans-111.8124.1164.4-63.3-179.4-47.300109.8A606 Q607 N608 Q647A606-Q627 PolarHBondContact O-N 2.94Å; Q607-Q627 WeakPolarHBondContact CA-O 3.34Å; Q607-Q627 HydrophobicContact CG-CB 4.36Å; N608-Q627 PolarHBondContact N-O 2.95Å; Q627-Q647 CarbonylContact C-O 3.28Å; Q627-Q647 VanDerWaalsContact CA-O 3.32Å; Q627-Q647 WeakPolarHBondContact CA-O 3.37Å; Q627-Q647 HydrophobicContact CG-CB 4.32Å
628N67.5Low69Low1 Ų139.5 Ų39.51%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-113.6119.8174.6-60.7-73.8000110.4N608 E634 Q647 N648 Q649N608-N628 WeakPolarHBondContact CB-OD1 3.41Å; N608-N628 PolarHBondContact ND2-OD1 2.87Å; N608-N628 WeakPolarHBondContact O-CA 3.39Å; N628-E634 PolarHBondContact ND2-O 2.97Å; N628-Q647 PolarHBondContact N-O 2.84Å; N628-N648 WeakPolarHBondContact CB-OD1 3.45Å; N628-N648 PolarHBondContact ND2-OD1 2.88Å; N628-Q649 PolarHBondContact O-N 2.94Å
629Q67.8Low69Low84 Ų8443.3 Ų43.339%0.39322%0.221SC..EExtended strand (participates in β ladder)trans-117.3118.8175.7-68.8179.9-25.600110.1N608 Q609 G610 Q649N608-Q629 PolarHBondContact O-N 2.88Å; Q609-Q629 WeakPolarHBondContact CA-O 3.46Å; Q609-Q629 HydrophobicContact CG-CB 4.46Å; G610-Q629 PolarHBondContact N-O 2.86Å; Q629-Q649 WeakPolarHBondContact CA-O 3.35Å; Q629-Q649 HydrophobicContact CG-CB 4.3Å
630G66.6Low69Low22 Ų2240.2 Ų40.223%0.22721%0.212CC..EExtended strand (participates in β ladder)trans178.9-163.4-178.500000118.9G610 Q649 G650 K651G610-G630 WeakPolarHBondContact O-CA 3.41Å; G630-Q649 PolarHBondContact N-O 2.77Å; G630-G650 WeakPolarHBondContact O-CA 3.44Å; G630-K651 PolarHBondContact O-N 2.73Å
631K71.6Confident69.1Low120 Ų12044.8 Ų44.852%0.52223%0.225SC..EExtended strand (participates in β ladder)trans-83.6-40.5175.3-68-169.3179-171.90112.1G610 K611 K651 K652G610-K631 PolarHBondContact O-N 3.09Å; K611-K631 CarbonylContact O-C 3.56Å; K611-K631 WeakPolarHBondContact O-CA 3.47Å; K611-K631 WeakPolarHBondContact O-CB 3.47Å; K611-K631 PolarHBondContact O-N 3Å; K631-K651 WeakPolarHBondContact O-CB 3.32Å; K631-K651 PolarHBondContact O-N 2.87Å; K631-K652 PolarHBondContact O-N 2.88Å
632K72.6Confident69.2Low57 Ų5741.8 Ų41.825%0.24821%0.212CC..EExtended strand (participates in β ladder)trans-123131.9160.4-165.9-168.4-173.5-1620109.2K611 K612 G613 E634 K652 E654K611-K632 PolarHBondContact O-N 3.01Å; K612-K632 WeakPolarHBondContact CA-O 3.43Å; K612-K632 HydrophobicContact CG-CB 4.21Å; G613-K632 PolarHBondContact N-O 3.38Å; K632-E634 HydrophobicContact CD-CG 4.44Å; K632-E634 WeakPolarHBondContact CD-OE1 3.05Å; K632-E634 VanDerWaalsContact CE-OE1 3.23Å; K632-E634 WeakPolarHBondContact CE-OE1 3.36Å; K632-E634 IonicContact NZ-OE1 2.63Å; K632-E634 PolarHBondContact NZ-OE1 3.06Å; K632-K652 CarbonylContact C-O 3.32Å; K632-K652 VanDerWaalsContact CA-O 3.3Å; K632-K652 WeakPolarHBondContact CA-O 2.99Å; K632-K652 HydrophobicContact CB-CB 4.42Å; K632-K652 HydrophobicContact CG-CB 4.05Å; K632-E654 WeakPolarHBondContact CE-OE1 3.39Å; K632-E654 IonicContact NZ-OE1 3.42Å; K632-E654 PolarHBondContact NZ-OE1 2.92Å; K632-E654 IonicContact NZ-OE2 3.1Å; K632-E654 PolarHBondContact NZ-OE2 3.35Å
633G66.6Low69Low2 Ų239.3 Ų39.32%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-116.7150.3166.400000111.2G613 K652 G653 E654G613-G633 CarbonylContact O-C 3.54Å; G613-G633 WeakPolarHBondContact O-CA 3.32Å; G633-K652 PolarHBondContact N-O 2.59Å; G633-G653 CarbonylContact O-C 3.47Å; G633-G653 VanDerWaalsContact O-CA 3.28Å; G633-G653 WeakPolarHBondContact O-CA 3.33Å; G633-E654 PolarHBondContact O-N 3.15Å
634E69.9Low69.2Low34 Ų3440.9 Ų40.916%0.15921%0.208CC..EExtended strand (participates in β ladder)trans-128.9142.4172.8-59.3175.2-173.600108.3K612 G613 E614 G615 N628 K632 N648 E654K612-E634 WeakPolarHBondContact CE-OE1 3.41Å; K612-E634 IonicContact NZ-OE1 3.66Å; K612-E634 PolarHBondContact NZ-OE1 2.85Å; K612-E634 IonicContact NZ-OE2 2.61Å; K612-E634 PolarHBondContact NZ-OE2 2.88Å; G613-E634 PolarHBondContact O-N 2.73Å; E614-E634 HydrophobicContact CB-CB 4.45Å; E614-E634 HydrophobicContact CG-CB 4.31Å; E614-E634 WeakPolarHBondContact CG-OE2 3.49Å; G615-E634 PolarHBondContact N-O 3.47Å; N628-E634 PolarHBondContact ND2-O 2.97Å; K632-E634 HydrophobicContact CD-CG 4.44Å; K632-E634 WeakPolarHBondContact CD-OE1 3.05Å; K632-E634 VanDerWaalsContact CE-OE1 3.23Å; K632-E634 WeakPolarHBondContact CE-OE1 3.36Å; K632-E634 IonicContact NZ-OE1 2.63Å; K632-E634 PolarHBondContact NZ-OE1 3.06Å; E634-N648 VanDerWaalsContact C-ND2 3.32Å; E634-N648 PolarHBondContact O-ND2 2.92Å; E634-E654 HydrophobicContact CG-CB 4.4Å; E634-E654 WeakPolarHBondContact CG-OE2 3.46Å
635G66.7Low69Low20 Ų2040.4 Ų40.421%0.20621%0.213CC..  trans-67.5159.3-166.200000115.9N648 E654 G655G635-N648 WeakPolarHBondContact CA-ND2 3.26Å; G635-N648 PolarHBondContact N-ND2 3.44Å; G635-E654 PolarHBondContact N-O 2.91Å; G635-G655 VanDerWaalsContact CA-O 3.31Å; G635-G655 WeakPolarHBondContact CA-O 2.92Å; G635-G655 PolarHBondContact N-O 3.16Å
636A72.1Confident69.3Low1 Ų139.7 Ų39.71%0.00821%0.206CC..  trans-77.4160.3166.200000111.3A616 A626 A646 A656 Q657A616-A636 CarbonylContact O-C 3.49Å; A616-A636 VanDerWaalsContact O-CA 3.23Å; A616-A636 WeakPolarHBondContact O-CA 3.34Å; A616-A636 VanDerWaalsContact O-CB 3.27Å; A616-A636 WeakPolarHBondContact O-CB 3.25Å; A626-A636 HydrophobicContact CB-CB 3.85Å; A636-A646 HydrophobicContact CB-CB 3.52Å; A636-A656 WeakPolarHBondContact O-CA 3.3Å; A636-A656 WeakPolarHBondContact O-CB 3.46Å; A636-Q657 PolarHBondContact O-N 3.19Å
637Q72Confident69.3Low70 Ų7042.9 Ų42.933%0.32722%0.221SC..EExtended strand (participates in β ladder)trans-119.3123.3166.4-63.4178.2-47.800109.8A616 Q617 N618 Q657A616-Q637 PolarHBondContact O-N 3.07Å; Q617-Q637 CarbonylContact C-O 3.51Å; Q617-Q637 WeakPolarHBondContact CA-O 3.15Å; Q617-Q637 HydrophobicContact CG-CB 4.35Å; N618-Q637 PolarHBondContact N-O 2.87Å; Q637-Q657 CarbonylContact C-O 3.53Å; Q637-Q657 VanDerWaalsContact CA-O 3.31Å; Q637-Q657 WeakPolarHBondContact CA-O 3.34Å; Q637-Q657 HydrophobicContact CG-CB 4.34Å
638N69.4Low69.3Low1 Ų139.6 Ų39.61%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-111.2127.6172.2-65.4-79.6000110.1N618 G625 E644 Q657 N658 Q659N618-N638 WeakPolarHBondContact CB-OD1 3.36Å; N618-N638 PolarHBondContact ND2-OD1 3.29Å; G625-N638 WeakPolarHBondContact CA-ND2 3.32Å; N638-E644 PolarHBondContact ND2-O 2.76Å; N638-Q657 PolarHBondContact N-O 2.92Å; N638-N658 WeakPolarHBondContact CB-OD1 3.43Å; N638-N658 PolarHBondContact ND2-OD1 2.9Å; N638-N658 CarbonylContact O-C 3.49Å; N638-Q659 PolarHBondContact O-N 3.21Å
639Q69.3Low69.4Low83 Ų8343 Ų4339%0.38822%0.221SC..EExtended strand (participates in β ladder)trans-122.5114.8174.6-71.1178.4-24.500109.9N618 Q619 G620 Q659N618-Q639 PolarHBondContact O-N 3.33Å; Q619-Q639 WeakPolarHBondContact CA-O 3.33Å; Q619-Q639 HydrophobicContact CG-CB 4.37Å; G620-Q639 PolarHBondContact N-O 3.11Å; Q639-Q659 WeakPolarHBondContact CA-O 3.15Å; Q639-Q659 HydrophobicContact CG-CB 4.26Å; Q639-Q659 VanDerWaalsContact NE2-OE1 3.11Å
640G67.7Low69.5Low21 Ų2140 Ų4022%0.21621%0.214CC..EExtended strand (participates in β ladder)trans-178.3-166.8179.800000118.4G620 Q659 G660 K661G620-G640 WeakPolarHBondContact O-CA 3.39Å; G640-Q659 PolarHBondContact N-O 3.18Å; G640-G660 CarbonylContact O-C 3.57Å; G640-G660 WeakPolarHBondContact O-CA 3.3Å; G640-K661 PolarHBondContact O-N 2.86Å
641K69.9Low69.8Low120 Ų12044.9 Ų44.952%0.52223%0.229SC..EExtended strand (participates in β ladder)trans-81.6-42.7175.6-66.3-169.2179.3-171.40112K621 K661 K662K621-K641 CarbonylContact O-C 3.55Å; K621-K641 WeakPolarHBondContact O-CA 3.39Å; K621-K641 WeakPolarHBondContact O-CB 3.15Å; K621-K641 PolarHBondContact O-N 2.89Å; K641-K661 WeakPolarHBondContact O-CB 3.3Å; K641-K661 PolarHBondContact O-N 3.44Å; K641-K662 PolarHBondContact O-N 2.89Å
642K71.6Confident70Confident58 Ų5844.9 Ų44.925%0.25223%0.229SC..EExtended strand (participates in β ladder)trans-116.1129.1160.9-167.3-175.8-175.8-1600109.8K621 K622 G623 E644 K662 E664K621-K642 PolarHBondContact O-N 2.96Å; K622-K642 CarbonylContact C-O 3.49Å; K622-K642 VanDerWaalsContact CA-O 3.26Å; K622-K642 WeakPolarHBondContact CA-O 3.24Å; K622-K642 HydrophobicContact CG-CB 4.35Å; G623-K642 PolarHBondContact N-O 2.97Å; K642-E644 WeakPolarHBondContact CD-OE1 3.39Å; K642-E644 WeakPolarHBondContact CE-OE1 3.35Å; K642-E644 IonicContact NZ-OE1 2.72Å; K642-E644 PolarHBondContact NZ-OE1 3Å; K642-K662 CarbonylContact C-O 3.57Å; K642-K662 VanDerWaalsContact CA-O 3.22Å; K642-K662 WeakPolarHBondContact CA-O 3.36Å; K642-K662 HydrophobicContact CG-CB 4.29Å; K642-E664 WeakPolarHBondContact CE-OE1 3.49Å; K642-E664 VanDerWaalsContact NZ-CD 3.32Å; K642-E664 IonicContact NZ-OE1 2.69Å; K642-E664 PolarHBondContact NZ-OE1 3.35Å; K642-E664 IonicContact NZ-OE2 3.25Å; K642-E664 PolarHBondContact NZ-OE2 2.77Å
643G66Low69.7Low3 Ų342.3 Ų42.33%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-105.9157.9162.800000111.7G623 K662 G663 E664G623-G643 CarbonylContact O-C 3.56Å; G623-G643 WeakPolarHBondContact O-CA 3.35Å; G643-K662 PolarHBondContact N-O 3.32Å; G643-G663 CarbonylContact O-C 2.97Å; G643-G663 VanDerWaalsContact O-CA 3.29Å; G643-G663 WeakPolarHBondContact O-CA 3.35Å; G643-E664 PolarHBondContact O-N 2.94Å
644E69.5Low69.9Low36 Ų3644.6 Ų44.617%0.16823%0.228CC..  trans-132.4151169.2-101144.2-117.800110K622 G623 E624 G625 N638 K642 N658 E664K622-E644 WeakPolarHBondContact CE-OE1 3.2Å; K622-E644 VanDerWaalsContact CE-OE2 3.31Å; K622-E644 WeakPolarHBondContact CE-OE2 3.49Å; K622-E644 IonicContact NZ-OE1 2.62Å; K622-E644 PolarHBondContact NZ-OE1 2.93Å; K622-E644 IonicContact NZ-OE2 2.76Å; K622-E644 PolarHBondContact NZ-OE2 3.14Å; G623-E644 PolarHBondContact O-N 2.81Å; E624-E644 HydrophobicContact CB-CB 4.4Å; E624-E644 HydrophobicContact CG-CB 4.18Å; G625-E644 PolarHBondContact N-O 2.83Å; G625-E644 VanDerWaalsContact N-O 3.14Å; N638-E644 PolarHBondContact ND2-O 2.76Å; K642-E644 WeakPolarHBondContact CD-OE1 3.39Å; K642-E644 WeakPolarHBondContact CE-OE1 3.35Å; K642-E644 IonicContact NZ-OE1 2.72Å; K642-E644 PolarHBondContact NZ-OE1 3Å; E644-N658 PolarHBondContact O-ND2 3.45Å; E644-E664 CarbonylContact C-O 3.58Å; E644-E664 HydrophobicContact CG-CB 4.13Å; E644-E664 VanDerWaalsContact CG-OE2 3.25Å; E644-E664 WeakPolarHBondContact CG-OE2 3.33Å
645G66Low69.8Low27 Ų2743.9 Ų43.928%0.27823%0.23SC..  trans-59.8150.1-167.700000114.3G625 E664 G665G625-G645 WeakPolarHBondContact CA-O 2.99Å; G625-G645 PolarHBondContact N-O 2.95Å; G645-E664 WeakPolarHBondContact CA-O 3.37Å; G645-E664 PolarHBondContact N-O 2.77Å; G645-E664 VanDerWaalsContact N-O 3.14Å; G645-G665 WeakPolarHBondContact CA-O 3.29Å
646A72.1Confident70.1Confident1 Ų143.1 Ų43.11%0.00822%0.222CC..  trans-102.2146.5165.300000109.8A626 A636 A656 P666 Q667A626-A646 CarbonylContact O-C 3.57Å; A626-A646 VanDerWaalsContact O-CA 3.24Å; A626-A646 WeakPolarHBondContact O-CA 3.5Å; A626-A646 VanDerWaalsContact O-CB 3.3Å; A626-A646 WeakPolarHBondContact O-CB 2.72Å; A636-A646 HydrophobicContact CB-CB 3.52Å; A646-A656 HydrophobicContact CB-CB 3.8Å; A646-P666 VanDerWaalsContact O-CA 3.3Å; A646-P666 WeakPolarHBondContact O-CA 3.41Å; A646-P666 WeakPolarHBondContact O-CB 3.33Å; A646-Q667 PolarHBondContact O-N 2.89Å
647Q71.3Confident70.1Confident66 Ų6646.1 Ų46.131%0.30824%0.236SC..EExtended strand (participates in β ladder)trans-116.6125.7-177.7-61.5-178.6-59.400111.4A626 Q627 N628 Q667A626-Q647 PolarHBondContact O-N 3.26Å; Q627-Q647 CarbonylContact C-O 3.28Å; Q627-Q647 VanDerWaalsContact CA-O 3.32Å; Q627-Q647 WeakPolarHBondContact CA-O 3.37Å; Q627-Q647 HydrophobicContact CG-CB 4.32Å; N628-Q647 PolarHBondContact N-O 2.84Å; Q647-Q667 WeakPolarHBondContact CA-O 3.35Å; Q647-Q667 HydrophobicContact CG-CB 4.33Å
648N68.3Low70Confident4 Ų442.9 Ų42.92%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-115.1125.2176.2-77.13.8000110.1N628 E634 G635 E654 Q667 Q669N628-N648 WeakPolarHBondContact CB-OD1 3.45Å; N628-N648 PolarHBondContact ND2-OD1 2.88Å; E634-N648 VanDerWaalsContact C-ND2 3.32Å; E634-N648 PolarHBondContact O-ND2 2.92Å; G635-N648 WeakPolarHBondContact CA-ND2 3.26Å; G635-N648 PolarHBondContact N-ND2 3.44Å; N648-E654 PolarHBondContact ND2-O 2.94Å; N648-Q667 PolarHBondContact N-O 3.29Å; N648-Q669 PolarHBondContact O-N 2.95Å
649Q70.1Confident70.1Confident72 Ų7246 Ų4634%0.33624%0.235SC..EExtended strand (participates in β ladder)trans-126.6125.3-179.5-69.6179.9-2800110.6N628 Q629 G630 Q669N628-Q649 PolarHBondContact O-N 2.94Å; Q629-Q649 WeakPolarHBondContact CA-O 3.35Å; Q629-Q649 HydrophobicContact CG-CB 4.3Å; G630-Q649 PolarHBondContact N-O 2.77Å; Q649-Q669 WeakPolarHBondContact CA-O 3.49Å; Q649-Q669 HydrophobicContact CG-CB 4.16Å
650G69.9Low70.1Confident23 Ų2343.1 Ų43.124%0.23723%0.228CC..EExtended strand (participates in β ladder)trans174.2-162.2-179.900000120G630 Q669 A670 K671G630-G650 WeakPolarHBondContact O-CA 3.44Å; G650-Q669 PolarHBondContact N-O 2.86Å; G650-A670 WeakPolarHBondContact O-CA 3.39Å; G650-K671 PolarHBondContact O-N 2.64Å; G650-K671 VanDerWaalsContact O-N 3.15Å
651K73.9Confident70.2Confident124 Ų12447.7 Ų47.754%0.53924%0.241SC..EExtended strand (participates in β ladder)trans-84.6-40.8172.1-66.7-163.3179-165.20111.9G630 K631 K671 K672G630-K651 PolarHBondContact O-N 2.73Å; K631-K651 WeakPolarHBondContact O-CB 3.32Å; K631-K651 PolarHBondContact O-N 2.87Å; K651-K671 CarbonylContact O-C 3.54Å; K651-K671 WeakPolarHBondContact O-CA 3.39Å; K651-K671 WeakPolarHBondContact O-CB 2.92Å; K651-K671 PolarHBondContact O-N 3.29Å; K651-K672 PolarHBondContact O-N 3.14Å
652K74.7Confident70.2Confident120 Ų12045.2 Ų45.252%0.52223%0.231SC..EExtended strand (participates in β ladder)trans-124.6144.9166.3-67.1-170.6177.3-171.60108.9K631 K632 G633 K672K631-K652 PolarHBondContact O-N 2.88Å; K632-K652 CarbonylContact C-O 3.32Å; K632-K652 VanDerWaalsContact CA-O 3.3Å; K632-K652 WeakPolarHBondContact CA-O 2.99Å; K632-K652 HydrophobicContact CB-CB 4.42Å; K632-K652 HydrophobicContact CG-CB 4.05Å; G633-K652 PolarHBondContact N-O 2.59Å; K652-K672 CarbonylContact C-O 3.46Å; K652-K672 VanDerWaalsContact CA-O 3.27Å; K652-K672 WeakPolarHBondContact CA-O 2.99Å; K652-K672 HydrophobicContact CG-CB 4.41Å
653G67.2Low70Confident3 Ų342.6 Ų42.63%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-151.3125176.100000111.4G633 N668 K672 G673 E674G633-G653 CarbonylContact O-C 3.47Å; G633-G653 VanDerWaalsContact O-CA 3.28Å; G633-G653 WeakPolarHBondContact O-CA 3.33Å; G653-N668 PolarHBondContact O-ND2 2.65Å; G653-K672 PolarHBondContact N-O 2.77Å; G653-G673 CarbonylContact O-C 3.54Å; G653-G673 VanDerWaalsContact O-CA 3.3Å; G653-G673 WeakPolarHBondContact O-CA 3.5Å; G653-E674 PolarHBondContact O-N 2.79Å
654E71.4Confident70.1Confident49 Ų4944.9 Ų44.923%0.22923%0.23CC..  trans-84.1148.5164.2-85.5122-110.500110.5K632 G633 E634 G635 N648 E674K632-E654 WeakPolarHBondContact CE-OE1 3.39Å; K632-E654 IonicContact NZ-OE1 3.42Å; K632-E654 PolarHBondContact NZ-OE1 2.92Å; K632-E654 IonicContact NZ-OE2 3.1Å; K632-E654 PolarHBondContact NZ-OE2 3.35Å; G633-E654 PolarHBondContact O-N 3.15Å; E634-E654 HydrophobicContact CG-CB 4.4Å; E634-E654 WeakPolarHBondContact CG-OE2 3.46Å; G635-E654 PolarHBondContact N-O 2.91Å; N648-E654 PolarHBondContact ND2-O 2.94Å; E654-E674 HydrophobicContact CG-CB 4.1Å; E654-E674 HydrophobicContact CG-CG 4.32Å; E654-E674 VanDerWaalsContact CG-OE2 3.25Å; E654-E674 WeakPolarHBondContact CG-OE2 3.06Å
655G66.5Low70Confident19 Ų1943.6 Ų43.620%0.19623%0.226CC..  trans-72.4168.2179.700000113.5G635 E674 G675G635-G655 VanDerWaalsContact CA-O 3.31Å; G635-G655 WeakPolarHBondContact CA-O 2.92Å; G635-G655 PolarHBondContact N-O 3.16Å; G655-E674 PolarHBondContact N-O 3.38Å; G655-G675 WeakPolarHBondContact CA-O 3.37Å
656A73.4Confident70.3Confident4 Ų442.3 Ų42.33%0.03321%0.213CC..  trans-107.2167.5178.200000111.6A636 A646 P666 Q677A636-A656 WeakPolarHBondContact O-CA 3.3Å; A636-A656 WeakPolarHBondContact O-CB 3.46Å; A646-A656 HydrophobicContact CB-CB 3.8Å; A656-P666 HydrophobicContact CB-CB 3.55Å; A656-P666 HydrophobicContact CB-CG 3.88Å; A656-P666 WeakPolarHBondContact O-CG 3.5Å; A656-Q677 PolarHBondContact O-N 3.04Å
657Q72.5Confident70.3Confident64 Ų6444.1 Ų44.130%0.29922%0.222SC..EExtended strand (participates in β ladder)trans-129.7124.6-175.4-59.3-179.9-49.700112.1A636 Q637 N638 Q677A636-Q657 PolarHBondContact O-N 3.19Å; Q637-Q657 CarbonylContact C-O 3.53Å; Q637-Q657 VanDerWaalsContact CA-O 3.31Å; Q637-Q657 WeakPolarHBondContact CA-O 3.34Å; Q637-Q657 HydrophobicContact CG-CB 4.34Å; N638-Q657 PolarHBondContact N-O 2.92Å; Q657-Q677 WeakPolarHBondContact CA-O 3.16Å; Q657-Q677 HydrophobicContact CG-CB 4.28Å
658N70.4Confident70.3Confident2 Ų241 Ų411%0.01121%0.207CC..EExtended strand (participates in β ladder)trans-120.493.5-177.3-83.913.2000113.5N638 E644 E664 Q677 N678 Q679 G680N638-N658 WeakPolarHBondContact CB-OD1 3.43Å; N638-N658 PolarHBondContact ND2-OD1 2.9Å; N638-N658 CarbonylContact O-C 3.49Å; E644-N658 PolarHBondContact O-ND2 3.45Å; N658-E664 PolarHBondContact ND2-O 2.91Å; N658-Q677 PolarHBondContact N-O 2.74Å; N658-N678 PolarHBondContact O-OD1 3.07Å; N658-N678 VanDerWaalsContact O-OD1 3.1Å; N658-Q679 CarbonylContact O-C 3.57Å; N658-Q679 VanDerWaalsContact O-C 3.27Å; N658-Q679 WeakPolarHBondContact O-CA 3.18Å; N658-Q679 PolarHBondContact O-N 2.98Å; N658-G680 PolarHBondContact O-N 3.04Å
659Q70.4Confident70.6Confident67 Ų6744 Ų4431%0.31322%0.221SC..EExtended strand (participates in β ladder)trans-91.5135.6-178.5-74.8172.1-1600113.4N638 Q639 G640 Q679N638-Q659 PolarHBondContact O-N 3.21Å; Q639-Q659 WeakPolarHBondContact CA-O 3.15Å; Q639-Q659 HydrophobicContact CG-CB 4.26Å; Q639-Q659 VanDerWaalsContact NE2-OE1 3.11Å; G640-Q659 PolarHBondContact N-O 3.18Å; Q659-Q679 CarbonylContact C-O 3Å; Q659-Q679 VanDerWaalsContact CA-O 3.32Å; Q659-Q679 WeakPolarHBondContact CA-O 3.48Å; Q659-Q679 HydrophobicContact CB-CB 4.41Å; Q659-Q679 HydrophobicContact CG-CB 3.62Å
660G68.6Low70.7Confident22 Ų2240.7 Ų40.723%0.22721%0.206CC..EExtended strand (participates in β ladder)trans169.6-142.8176.800000121.7G640 Q679 G680 K681G640-G660 CarbonylContact O-C 3.57Å; G640-G660 WeakPolarHBondContact O-CA 3.3Å; G660-Q679 PolarHBondContact N-O 2.92Å; G660-G680 CarbonylContact O-C 3.52Å; G660-G680 WeakPolarHBondContact O-CA 3.15Å; G660-K681 PolarHBondContact O-N 2.87Å; G660-K681 VanDerWaalsContact O-N 3.15Å
661K70.5Confident70.8Confident117 Ų11745.5 Ų45.551%0.50922%0.22SC..EExtended strand (participates in β ladder)trans-112-46.5174.1-67.5-169.5-178.6-172.30113.2G640 K641 K681 K682G640-K661 PolarHBondContact O-N 2.86Å; K641-K661 WeakPolarHBondContact O-CB 3.3Å; K641-K661 PolarHBondContact O-N 3.44Å; K661-K681 CarbonylContact O-C 3.19Å; K661-K681 WeakPolarHBondContact O-CA 3.13Å; K661-K681 VanDerWaalsContact O-CB 3.28Å; K661-K681 WeakPolarHBondContact O-CB 2.96Å; K661-K681 PolarHBondContact O-N 3.15Å; K661-K681 VanDerWaalsContact O-N 3.1Å; K661-K682 PolarHBondContact O-N 3.1Å
662K70.7Confident70.8Confident69 Ų6942.2 Ų42.230%0.321%0.206SC..EExtended strand (participates in β ladder)trans-113.3145.5155.5-162.9-173.5-179.2-1400108.7K641 K642 G643 E664 K682 E684K641-K662 PolarHBondContact O-N 2.89Å; K642-K662 CarbonylContact C-O 3.57Å; K642-K662 VanDerWaalsContact CA-O 3.22Å; K642-K662 WeakPolarHBondContact CA-O 3.36Å; K642-K662 HydrophobicContact CG-CB 4.29Å; G643-K662 PolarHBondContact N-O 3.32Å; K662-E664 IonicContact NZ-OE1 2.82Å; K662-E664 PolarHBondContact NZ-OE1 3.32Å; K662-K682 CarbonylContact C-O 3.54Å; K662-K682 WeakPolarHBondContact CA-O 3.26Å; K662-E684 WeakPolarHBondContact CE-OE2 3.23Å; K662-E684 IonicContact NZ-OE2 2.61Å; K662-E684 PolarHBondContact NZ-OE2 2.93Å
663G66.2Low70.3Confident2 Ų236.5 Ų36.52%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-152.1121.7171.700000112.7G643 N678 K682 G683 E684G643-G663 CarbonylContact O-C 2.97Å; G643-G663 VanDerWaalsContact O-CA 3.29Å; G643-G663 WeakPolarHBondContact O-CA 3.35Å; G663-N678 PolarHBondContact O-ND2 2.89Å; G663-K682 PolarHBondContact N-O 3.22Å; G663-K682 VanDerWaalsContact N-O 3.07Å; G663-G683 CarbonylContact O-C 3.55Å; G663-G683 WeakPolarHBondContact O-CA 2.98Å; G663-E684 PolarHBondContact O-N 3.3Å
664E69.4Low70.5Confident51 Ų5138.9 Ų38.924%0.23819%0.191CC..EExtended strand (participates in β ladder)trans-78.3143163.3-74.8130.3-12900109.3K642 G643 E644 G645 N658 K662 E684K642-E664 WeakPolarHBondContact CE-OE1 3.49Å; K642-E664 VanDerWaalsContact NZ-CD 3.32Å; K642-E664 IonicContact NZ-OE1 2.69Å; K642-E664 PolarHBondContact NZ-OE1 3.35Å; K642-E664 IonicContact NZ-OE2 3.25Å; K642-E664 PolarHBondContact NZ-OE2 2.77Å; G643-E664 PolarHBondContact O-N 2.94Å; E644-E664 CarbonylContact C-O 3.58Å; E644-E664 HydrophobicContact CG-CB 4.13Å; E644-E664 VanDerWaalsContact CG-OE2 3.25Å; E644-E664 WeakPolarHBondContact CG-OE2 3.33Å; G645-E664 WeakPolarHBondContact CA-O 3.37Å; G645-E664 PolarHBondContact N-O 2.77Å; G645-E664 VanDerWaalsContact N-O 3.14Å; N658-E664 PolarHBondContact ND2-O 2.91Å; K662-E664 IonicContact NZ-OE1 2.82Å; K662-E664 PolarHBondContact NZ-OE1 3.32Å; E664-E684 CarbonylContact C-O 3.09Å; E664-E684 HydrophobicContact CG-CB 3.67Å
665G67Low70.2Confident9 Ų937.6 Ų37.69%0.09319%0.191CC..PPolyproline II helixtrans-93.2164-160.500000113G645 N678 E684 G685G645-G665 WeakPolarHBondContact CA-O 3.29Å; G665-N678 WeakPolarHBondContact CA-ND2 3.4Å; G665-N678 PolarHBondContact N-ND2 3.04Å; G665-E684 WeakPolarHBondContact CA-O 3.48Å; G665-E684 PolarHBondContact N-O 2.95Å; G665-G685 CarbonylContact C-O 3.56Å
666P71.6Confident70.5Confident1 Ų136.7 Ų36.71%0.00618%0.182CC..PPolyproline II helixtrans-85.2154.7-175.816.2-2.3000113A646 A656 A676 Q677 Q687A646-P666 VanDerWaalsContact O-CA 3.3Å; A646-P666 WeakPolarHBondContact O-CA 3.41Å; A646-P666 WeakPolarHBondContact O-CB 3.33Å; A656-P666 HydrophobicContact CB-CB 3.55Å; A656-P666 HydrophobicContact CB-CG 3.88Å; A656-P666 WeakPolarHBondContact O-CG 3.5Å; P666-A676 HydrophobicContact CB-CB 4.22Å; P666-A676 HydrophobicContact CG-CB 4Å; P666-A676 WeakPolarHBondContact O-CB 2.81Å; P666-Q677 WeakPolarHBondContact CD-O 3.29Å; P666-Q677 WeakPolarHBondContact CG-O 3.34Å; P666-Q687 PolarHBondContact O-N 2.96Å
667Q72.3Confident70.5Confident39 Ų3938.6 Ų38.618%0.18219%0.19CC..EExtended strand (participates in β ladder)trans-122.1121.7-178.2-175.5-175.828.700110.1A646 Q647 N648 Q669 Q687A646-Q667 PolarHBondContact O-N 2.89Å; Q647-Q667 WeakPolarHBondContact CA-O 3.35Å; Q647-Q667 HydrophobicContact CG-CB 4.33Å; N648-Q667 PolarHBondContact N-O 3.29Å; Q667-Q669 HydrophobicContact CG-CG 4.3Å; Q667-Q687 WeakPolarHBondContact CA-O 3.32Å; Q667-Q687 HydrophobicContact CB-CB 4.41Å; Q667-Q687 HydrophobicContact CG-CB 4.09Å; Q667-Q687 VanDerWaalsContact NE2-OE1 3.09Å
668N72.1Confident70.4Confident1 Ų135.6 Ų35.61%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-109.9125.4175.5-1663.4000109.6G653 G673 E674 Q687 N688 Q689G653-N668 PolarHBondContact O-ND2 2.65Å; N668-G673 WeakPolarHBondContact ND2-CA 3.25Å; N668-E674 PolarHBondContact ND2-N 3.1Å; N668-E674 PolarHBondContact ND2-O 2.74Å; N668-Q687 PolarHBondContact N-O 2.72Å; N668-N688 CarbonylContact O-C 3.42Å; N668-N688 WeakPolarHBondContact O-CA 3.21Å; N668-N688 PolarHBondContact O-OD1 3.15Å; N668-Q689 PolarHBondContact O-N 2.93Å
669Q74.2Confident70.6Confident65 Ų6537.2 Ų37.230%0.30418%0.184SC..EExtended strand (participates in β ladder)trans-125.680.2179.4-69.6-172.7-40.500108.9N648 Q649 G650 Q667 Q689N648-Q669 PolarHBondContact O-N 2.95Å; Q649-Q669 WeakPolarHBondContact CA-O 3.49Å; Q649-Q669 HydrophobicContact CG-CB 4.16Å; G650-Q669 PolarHBondContact N-O 2.86Å; Q667-Q669 HydrophobicContact CG-CG 4.3Å; Q669-Q689 CarbonylContact C-O 3.53Å; Q669-Q689 WeakPolarHBondContact CA-O 3.34Å; Q669-Q689 HydrophobicContact CG-CB 4.33Å
670A72.2Confident70.6Confident3 Ų334 Ų343%0.02517%0.169CC..EExtended strand (participates in β ladder)trans-134.7146.9-169.600000113.6G650 K672 Q689 G690G650-A670 WeakPolarHBondContact O-CA 3.39Å; A670-K672 VanDerWaalsContact C-N 3.3Å; A670-K672 WeakPolarHBondContact CB-O 3.22Å; A670-K672 PolarHBondContact O-N 2.93Å; A670-Q689 PolarHBondContact N-O 3.17Å; A670-G690 WeakPolarHBondContact O-CA 3.37Å
671K71.9Confident70.7Confident124 Ų12437.8 Ų37.854%0.53918%0.179SC..EExtended strand (participates in β ladder)trans-64.5-33.1177.5-62.6-176.1179.2-178.80112.3G650 K651 K691 K692G650-K671 PolarHBondContact O-N 2.64Å; G650-K671 VanDerWaalsContact O-N 3.15Å; K651-K671 CarbonylContact O-C 3.54Å; K651-K671 WeakPolarHBondContact O-CA 3.39Å; K651-K671 WeakPolarHBondContact O-CB 2.92Å; K651-K671 PolarHBondContact O-N 3.29Å; K671-K691 WeakPolarHBondContact O-CB 3.42Å; K671-K691 PolarHBondContact O-N 3.31Å; K671-K692 PolarHBondContact O-N 3.14Å
672K72.9Confident70.7Confident55 Ų5535.7 Ų35.724%0.23917%0.17CC..EExtended strand (participates in β ladder)trans-119.8114.9152.6-163.1-136.9176.3-154.40108.6K651 K652 G653 A670 E674 K692 E694K651-K672 PolarHBondContact O-N 3.14Å; K652-K672 CarbonylContact C-O 3.46Å; K652-K672 VanDerWaalsContact CA-O 3.27Å; K652-K672 WeakPolarHBondContact CA-O 2.99Å; K652-K672 HydrophobicContact CG-CB 4.41Å; G653-K672 PolarHBondContact N-O 2.77Å; A670-K672 VanDerWaalsContact C-N 3.3Å; A670-K672 WeakPolarHBondContact CB-O 3.22Å; A670-K672 PolarHBondContact O-N 2.93Å; K672-E674 IonicContact NZ-OE1 2.68Å; K672-E674 PolarHBondContact NZ-OE1 2.73Å; K672-K692 CarbonylContact C-O 3.4Å; K672-K692 VanDerWaalsContact CA-O 3.25Å; K672-K692 WeakPolarHBondContact CA-O 3.14Å; K672-K692 HydrophobicContact CG-CB 4.23Å; K672-K692 HydrophobicContact CG-CD 4.42Å; K672-E694 WeakPolarHBondContact CE-OE1 3.24Å; K672-E694 IonicContact NZ-OE1 3.25Å; K672-E694 PolarHBondContact NZ-OE1 2.76Å
673G65.5Low70.5Confident0 Ų032.4 Ų32.40%016%0.156CC..EExtended strand (participates in β ladder)trans-119125.7-178.600000113.4G653 N668 N688 K692 G693 E694G653-G673 CarbonylContact O-C 3.54Å; G653-G673 VanDerWaalsContact O-CA 3.3Å; G653-G673 WeakPolarHBondContact O-CA 3.5Å; N668-G673 WeakPolarHBondContact ND2-CA 3.25Å; G673-N688 PolarHBondContact O-ND2 3.16Å; G673-K692 PolarHBondContact N-O 2.62Å; G673-G693 CarbonylContact O-C 3.57Å; G673-G693 WeakPolarHBondContact O-CA 3.31Å; G673-E694 PolarHBondContact O-N 2.75Å
674E70.1Confident70.6Confident53 Ų5334.3 Ų34.325%0.24816%0.164CC..PPolyproline II helixtrans-95.8161.8178.1-50.9177.8-170.200110.5G653 E654 G655 N668 K672 E694G653-E674 PolarHBondContact O-N 2.79Å; E654-E674 HydrophobicContact CG-CB 4.1Å; E654-E674 HydrophobicContact CG-CG 4.32Å; E654-E674 VanDerWaalsContact CG-OE2 3.25Å; E654-E674 WeakPolarHBondContact CG-OE2 3.06Å; G655-E674 PolarHBondContact N-O 3.38Å; N668-E674 PolarHBondContact ND2-N 3.1Å; N668-E674 PolarHBondContact ND2-O 2.74Å; K672-E674 IonicContact NZ-OE1 2.68Å; K672-E674 PolarHBondContact NZ-OE1 2.73Å; E674-E694 WeakPolarHBondContact CB-OE2 3.38Å; E674-E694 WeakPolarHBondContact CG-OE2 3.5Å
675G65.6Low70.5Confident22 Ų2233 Ų3323%0.22716%0.164CC..PPolyproline II helixtrans-62.1129.6-15900000116.6G655 G695G655-G675 WeakPolarHBondContact CA-O 3.37Å; G675-G695 WeakPolarHBondContact CA-O 3.32Å
676A72.5Confident70.8Confident0 Ų032.6 Ų32.60%016%0.16CC..PPolyproline II helixtrans-85.3133.3172.800000111.3P666 A696 Q697P666-A676 HydrophobicContact CB-CB 4.22Å; P666-A676 HydrophobicContact CG-CB 4Å; P666-A676 WeakPolarHBondContact O-CB 2.81Å; A676-A696 HydrophobicContact CB-CB 4.24Å; A676-A696 CarbonylContact O-C 3.49Å; A676-A696 WeakPolarHBondContact O-CA 3.26Å; A676-A696 WeakPolarHBondContact O-CB 3.37Å; A676-Q697 PolarHBondContact O-N 3.12Å
677Q73.2Confident70.8Confident45 Ų4534.5 Ų34.521%0.2117%0.169CC..EExtended strand (participates in β ladder)trans-120.8136.6-174.6-60.4-176.3-31.700112.9A656 Q657 N658 P666 Q697A656-Q677 PolarHBondContact O-N 3.04Å; Q657-Q677 WeakPolarHBondContact CA-O 3.16Å; Q657-Q677 HydrophobicContact CG-CB 4.28Å; N658-Q677 PolarHBondContact N-O 2.74Å; P666-Q677 WeakPolarHBondContact CD-O 3.29Å; P666-Q677 WeakPolarHBondContact CG-O 3.34Å; Q677-Q697 WeakPolarHBondContact CA-O 3.38Å; Q677-Q697 HydrophobicContact CG-CB 4.3Å
678N72.3Confident70.6Confident1 Ų132.6 Ų32.61%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-116.7146.5165.5-161-32000110.2T119 P120 N658 G663 G665 G680 E684 Q697 N698T119-N678 WeakPolarHBondContact O-CB 3.22Å; T119-N678 PolarHBondContact O-ND2 3.45Å; P120-N678 CarbonylContact C-O 3.57Å; P120-N678 VanDerWaalsContact C-O 3.32Å; P120-N678 CarbonylContact O-C 3.53Å; N658-N678 PolarHBondContact O-OD1 3.07Å; N658-N678 VanDerWaalsContact O-OD1 3.1Å; G663-N678 PolarHBondContact O-ND2 2.89Å; G665-N678 WeakPolarHBondContact CA-ND2 3.4Å; G665-N678 PolarHBondContact N-ND2 3.04Å; N678-G680 PolarHBondContact OD1-N 2.88Å; N678-E684 PolarHBondContact ND2-O 3.12Å; N678-E684 VanDerWaalsContact ND2-O 3.14Å; N678-Q697 PolarHBondContact N-O 3.44Å; N678-Q697 VanDerWaalsContact N-O 3.16Å; N678-N698 WeakPolarHBondContact CB-OD1 3.49Å
679Q73.1Confident70.6Confident36 Ų3634.9 Ų34.917%0.16817%0.17CC..EExtended strand (participates in β ladder)trans-150.540.9-173.1-80.3-164.4-21.200113.8I121 A122 N658 Q659 G660 Q699I121-Q679 CarbonylContact C-O 3.59Å; I121-Q679 VanDerWaalsContact C-O 3.28Å; I121-Q679 VanDerWaalsContact N-C 3.31Å; I121-Q679 VanDerWaalsContact N-CA 3.34Å; I121-Q679 VanDerWaalsContact O-CA 3.27Å; I121-Q679 WeakPolarHBondContact O-CA 3.27Å; I121-Q679 WeakPolarHBondContact O-CG 3.28Å; A122-Q679 CarbonylContact C-O 3.57Å; A122-Q679 VanDerWaalsContact N-C 3.28Å; A122-Q679 PolarHBondContact N-O 2.93Å; A122-Q679 WeakPolarHBondContact O-CB 3.4Å; N658-Q679 CarbonylContact O-C 3.57Å; N658-Q679 VanDerWaalsContact O-C 3.27Å; N658-Q679 WeakPolarHBondContact O-CA 3.18Å; N658-Q679 PolarHBondContact O-N 2.98Å; Q659-Q679 CarbonylContact C-O 3Å; Q659-Q679 VanDerWaalsContact CA-O 3.32Å; Q659-Q679 WeakPolarHBondContact CA-O 3.48Å; Q659-Q679 HydrophobicContact CB-CB 4.41Å; Q659-Q679 HydrophobicContact CG-CB 3.62Å; G660-Q679 PolarHBondContact N-O 2.92Å; Q679-Q699 VanDerWaalsContact NE2-OE1 3.13Å
680G70.3Confident70.4Confident0 Ų032.9 Ų32.90%017%0.168CC..EExtended strand (participates in β ladder)trans-118.1141.1167.700000117.7P120 I121 N658 G660 N678 K682P120-G680 WeakPolarHBondContact CB-O 3.38Å; I121-G680 VanDerWaalsContact CA-C 3.44Å; I121-G680 VanDerWaalsContact CA-N 3.31Å; I121-G680 VanDerWaalsContact CA-O 3.28Å; I121-G680 WeakPolarHBondContact CA-O 3.37Å; I121-G680 WeakPolarHBondContact CG1-O 3.29Å; I121-G680 PolarHBondContact N-O 3Å; N658-G680 PolarHBondContact O-N 3.04Å; G660-G680 CarbonylContact O-C 3.52Å; G660-G680 WeakPolarHBondContact O-CA 3.15Å; N678-G680 PolarHBondContact OD1-N 2.88Å; G680-K682 VanDerWaalsContact C-N 3.25Å; G680-K682 CarbonylContact C-O 3.56Å; G680-K682 CarbonylContact O-C 3.49Å; G680-K682 WeakPolarHBondContact O-CA 3.44Å; G680-K682 PolarHBondContact O-N 2.82Å
681K71.1Confident70.4Confident100 Ų10038.9 Ų38.944%0.43519%0.193SC..EExtended strand (participates in β ladder)trans-35.8-33.2-166.6-78.2-170.4-179.1-176.30118.9I121 G660 K661I121-K681 WeakPolarHBondContact CD1-O 3.4Å; I121-K681 VanDerWaalsContact CG1-CA 3.41Å; I121-K681 WeakPolarHBondContact CG1-O 3.38Å; G660-K681 PolarHBondContact O-N 2.87Å; G660-K681 VanDerWaalsContact O-N 3.15Å; K661-K681 CarbonylContact O-C 3.19Å; K661-K681 WeakPolarHBondContact O-CA 3.13Å; K661-K681 VanDerWaalsContact O-CB 3.28Å; K661-K681 WeakPolarHBondContact O-CB 2.96Å; K661-K681 PolarHBondContact O-N 3.15Å; K661-K681 VanDerWaalsContact O-N 3.1Å
682K70.8Confident70.3Confident74 Ų7436.8 Ų36.832%0.32218%0.184SC..EExtended strand (participates in β ladder)trans-128148.6151.8-164.7-148.2-178.3-169.40105.7K661 K662 G663 G680 E684 K702K661-K682 PolarHBondContact O-N 3.1Å; K662-K682 CarbonylContact C-O 3.54Å; K662-K682 WeakPolarHBondContact CA-O 3.26Å; G663-K682 PolarHBondContact N-O 3.22Å; G663-K682 VanDerWaalsContact N-O 3.07Å; G680-K682 VanDerWaalsContact C-N 3.25Å; G680-K682 CarbonylContact C-O 3.56Å; G680-K682 CarbonylContact O-C 3.49Å; G680-K682 WeakPolarHBondContact O-CA 3.44Å; G680-K682 PolarHBondContact O-N 2.82Å; K682-E684 VanDerWaalsContact CE-OE1 3.23Å; K682-E684 WeakPolarHBondContact CE-OE1 3.43Å; K682-E684 IonicContact NZ-OE1 2.61Å; K682-E684 PolarHBondContact NZ-OE1 3.44Å; K682-K702 HydrophobicContact CG-CB 4.39Å; K682-K702 HydrophobicContact CG-CG 4.36Å
683G65.7Low69.9Low0 Ų034.2 Ų34.20%017%0.173CC..EExtended strand (participates in β ladder)trans-119.5-157.5176.200000112.3T119 G663T119-G683 VanDerWaalsContact CB-CA 3.45Å; T119-G683 WeakPolarHBondContact CB-O 3.05Å; T119-G683 WeakPolarHBondContact CG2-O 3.33Å; G663-G683 CarbonylContact O-C 3.55Å; G663-G683 WeakPolarHBondContact O-CA 2.98Å
684E69Low70Confident42 Ų4236.2 Ų36.220%0.19618%0.182CC..EExtended strand (participates in β ladder)trans-165.4178.8154.9-95.5110-139.400107.5H118 T119 K662 G663 E664 G665 N678 K682H118-E684 CarbonylContact O-C 3.55Å; T119-E684 HydrophobicContact CG2-CB 4.46Å; T119-E684 HydrophobicContact CG2-CG 4.08Å; T119-E684 PolarHBondContact O-N 3.34Å; T119-E684 VanDerWaalsContact O-O 3.1Å; K662-E684 WeakPolarHBondContact CE-OE2 3.23Å; K662-E684 IonicContact NZ-OE2 2.61Å; K662-E684 PolarHBondContact NZ-OE2 2.93Å; G663-E684 PolarHBondContact O-N 3.3Å; E664-E684 CarbonylContact C-O 3.09Å; E664-E684 HydrophobicContact CG-CB 3.67Å; G665-E684 WeakPolarHBondContact CA-O 3.48Å; G665-E684 PolarHBondContact N-O 2.95Å; N678-E684 PolarHBondContact ND2-O 3.12Å; N678-E684 VanDerWaalsContact ND2-O 3.14Å; K682-E684 VanDerWaalsContact CE-OE1 3.23Å; K682-E684 WeakPolarHBondContact CE-OE1 3.43Å; K682-E684 IonicContact NZ-OE1 2.61Å; K682-E684 PolarHBondContact NZ-OE1 3.44Å
685G68Low69.8Low24 Ų2434.3 Ų34.325%0.24718%0.176CC..  trans71.79.6159.900000126.9H118 G665 Q687H118-G685 VanDerWaalsContact CA-N 3.31Å; H118-G685 CarbonylContact O-C 3.56Å; H118-G685 WeakPolarHBondContact O-CA 3Å; H118-G685 PolarHBondContact O-N 2.85Å; G665-G685 CarbonylContact C-O 3.56Å; G685-Q687 PolarHBondContact O-N 3.36Å
686A71.6Confident70.1Confident0 Ų033.2 Ų33.20%017%0.166CC..  trans-78.8116.7-17500000115H118 N698 Q707H118-A686 PolarHBondContact O-N 3.39Å; A686-N698 WeakPolarHBondContact CB-OD1 3.24Å; A686-Q707 PolarHBondContact O-N 2.71Å; A686-Q707 VanDerWaalsContact O-N 3.12Å
687Q71.7Confident70.2Confident40 Ų4035.6 Ų35.619%0.18718%0.176CC..EExtended strand (participates in β ladder)trans-140.7144.6-171.6-64.3-172-3700115.5P666 Q667 N668 G685 Q707P666-Q687 PolarHBondContact O-N 2.96Å; Q667-Q687 WeakPolarHBondContact CA-O 3.32Å; Q667-Q687 HydrophobicContact CB-CB 4.41Å; Q667-Q687 HydrophobicContact CG-CB 4.09Å; Q667-Q687 VanDerWaalsContact NE2-OE1 3.09Å; N668-Q687 PolarHBondContact N-O 2.72Å; G685-Q687 PolarHBondContact O-N 3.36Å; Q687-Q707 WeakPolarHBondContact CA-O 3.19Å; Q687-Q707 HydrophobicContact CG-CB 4.29Å
688N69.5Low70.1Confident0 Ų033.4 Ų33.40%017%0.166CC..EExtended strand (participates in β ladder)trans-134.5134166.1-167.77.6000111.9N668 G673 E694 Q707 S708 Q709N668-N688 CarbonylContact O-C 3.42Å; N668-N688 WeakPolarHBondContact O-CA 3.21Å; N668-N688 PolarHBondContact O-OD1 3.15Å; G673-N688 PolarHBondContact O-ND2 3.16Å; N688-E694 PolarHBondContact ND2-O 3.02Å; N688-Q707 PolarHBondContact N-O 3.02Å; N688-S708 CarbonylContact O-C 3.29Å; N688-S708 VanDerWaalsContact O-CA 3.25Å; N688-S708 WeakPolarHBondContact O-CA 3.48Å; N688-Q709 PolarHBondContact O-N 3.48Å
689Q71.5Confident70.1Confident48 Ų4836.2 Ų36.222%0.22418%0.18CC..EExtended strand (participates in β ladder)trans-137.2130.9-177-60.7179.8-36.400110.6N668 Q669 A670 Q709N668-Q689 PolarHBondContact O-N 2.93Å; Q669-Q689 CarbonylContact C-O 3.53Å; Q669-Q689 WeakPolarHBondContact CA-O 3.34Å; Q669-Q689 HydrophobicContact CG-CB 4.33Å; A670-Q689 PolarHBondContact N-O 3.17Å; Q689-Q709 CarbonylContact C-O 3.29Å; Q689-Q709 WeakPolarHBondContact CA-O 3.25Å; Q689-Q709 HydrophobicContact CG-CB 4.22Å
690G70.4Confident70Confident24 Ų2435.3 Ų35.325%0.24718%0.179CC..EExtended strand (participates in β ladder)trans-175.5-170.3-171.800000118.9A670 Q709 K711A670-G690 WeakPolarHBondContact O-CA 3.37Å; G690-Q709 PolarHBondContact N-O 2.99Å; G690-K711 PolarHBondContact O-N 2.9Å
691K72.4Confident70Confident129 Ų12941 Ų4156%0.56120%0.204SC*.EExtended strand (participates in β ladder)trans-92.1-49166.5-72.8-165.4177.4-1680110.7K671 K711 K712K671-K691 WeakPolarHBondContact O-CB 3.42Å; K671-K691 PolarHBondContact O-N 3.31Å; K691-K711 CarbonylContact O-C 3.59Å; K691-K711 WeakPolarHBondContact O-CA 3.15Å; K691-K711 WeakPolarHBondContact O-CB 3.38Å; K691-K711 PolarHBondContact O-N 2.86Å; K691-K712 PolarHBondContact O-N 3.44Å
692K68.7Low70Confident80 Ų8039.4 Ų39.435%0.34820%0.197SC..EExtended strand (participates in β ladder)trans-115.2145.2161.4-161.8-162.2174.5-158.80109.5K671 K672 G673 K712K671-K692 PolarHBondContact O-N 3.14Å; K672-K692 CarbonylContact C-O 3.4Å; K672-K692 VanDerWaalsContact CA-O 3.25Å; K672-K692 WeakPolarHBondContact CA-O 3.14Å; K672-K692 HydrophobicContact CG-CB 4.23Å; K672-K692 HydrophobicContact CG-CD 4.42Å; G673-K692 PolarHBondContact N-O 2.62Å; K692-K712 WeakPolarHBondContact CA-O 3.41Å; K692-K712 VanDerWaalsContact CG-O 3.26Å; K692-K712 WeakPolarHBondContact CG-O 3.38Å
693G64.4Low69.9Low0 Ų035.9 Ų35.90%018%0.182CC..EExtended strand (participates in β ladder)trans-164.9159.6165.400000115.8G673 K712 G713 E714G673-G693 CarbonylContact O-C 3.57Å; G673-G693 WeakPolarHBondContact O-CA 3.31Å; G693-K712 PolarHBondContact N-O 2.94Å; G693-G713 CarbonylContact O-C 3.5Å; G693-G713 WeakPolarHBondContact O-CA 3.28Å; G693-E714 PolarHBondContact O-N 2.92Å
694E67.4Low69.9Low43 Ų4336.7 Ų36.720%0.20119%0.186CC..PPolyproline II helixtrans-95.7155.4175.1-67.4138.5-140.900110.2K672 G673 E674 N688 E714K672-E694 WeakPolarHBondContact CE-OE1 3.24Å; K672-E694 IonicContact NZ-OE1 3.25Å; K672-E694 PolarHBondContact NZ-OE1 2.76Å; G673-E694 PolarHBondContact O-N 2.75Å; E674-E694 WeakPolarHBondContact CB-OE2 3.38Å; E674-E694 WeakPolarHBondContact CG-OE2 3.5Å; N688-E694 PolarHBondContact ND2-O 3.02Å; E694-E714 HydrophobicContact CG-CG 4.45Å
695G65.7Low69.8Low12 Ų1234.8 Ų34.812%0.12418%0.177CC..PPolyproline II helixtrans-64.5142.1-171.100000114.3G675 G715G675-G695 WeakPolarHBondContact CA-O 3.32Å; G695-G715 WeakPolarHBondContact CA-O 3.07Å
696A73.1Confident69.8Low0 Ų033.6 Ų33.60%017%0.165CC..PPolyproline II helixtrans-71155.4162.700000110.7A676 V706 T716 Q717A676-A696 HydrophobicContact CB-CB 4.24Å; A676-A696 CarbonylContact O-C 3.49Å; A676-A696 WeakPolarHBondContact O-CA 3.26Å; A676-A696 WeakPolarHBondContact O-CB 3.37Å; A696-V706 HydrophobicContact CB-CG1 3.52Å; A696-V706 WeakPolarHBondContact O-CG1 3.25Å; A696-T716 WeakPolarHBondContact O-CA 3.26Å; A696-Q717 PolarHBondContact O-N 2.68Å
697Q73.4Confident69.7Low49 Ų4935.7 Ų35.723%0.22918%0.175CC..EExtended strand (participates in β ladder)trans-137.7145.4-173.2-56.1-178.1-66.500114.5A676 Q677 N678 Q717A676-Q697 PolarHBondContact O-N 3.12Å; Q677-Q697 WeakPolarHBondContact CA-O 3.38Å; Q677-Q697 HydrophobicContact CG-CB 4.3Å; N678-Q697 PolarHBondContact N-O 3.44Å; N678-Q697 VanDerWaalsContact N-O 3.16Å; Q697-Q717 CarbonylContact C-O 3.55Å; Q697-Q717 VanDerWaalsContact CA-O 3.29Å; Q697-Q717 WeakPolarHBondContact CA-O 3.48Å; Q697-Q717 HydrophobicContact CG-CB 4.15Å
698N72.2Confident69.5Low0 Ų033.8 Ų33.80%017%0.166CC..EExtended strand (participates in β ladder)trans-150.7128-169-93.62.3000109.7T119 P120 N678 A686 E704 V706 Q717 N718 Q719T119-N698 VanDerWaalsContact C-OD1 3.3Å; T119-N698 PolarHBondContact N-ND2 2.96Å; T119-N698 PolarHBondContact O-OD1 2.86Å; P120-N698 VanDerWaalsContact CD-CB 3.41Å; P120-N698 WeakPolarHBondContact CD-ND2 3.48Å; P120-N698 CarbonylContact O-C 3.31Å; N678-N698 WeakPolarHBondContact CB-OD1 3.49Å; A686-N698 WeakPolarHBondContact CB-OD1 3.24Å; N698-E704 PolarHBondContact ND2-O 2.68Å; N698-E704 VanDerWaalsContact ND2-O 3.15Å; N698-V706 HydrophobicContact CB-CG2 3.48Å; N698-V706 VanDerWaalsContact CB-CG2 3.48Å; N698-V706 VanDerWaalsContact ND2-CG2 3.26Å; N698-V706 WeakPolarHBondContact ND2-CG2 3.35Å; N698-Q717 PolarHBondContact N-O 3.45Å; N698-N718 WeakPolarHBondContact CB-OD1 3.44Å; N698-N718 CarbonylContact O-C 3.51Å; N698-N718 VanDerWaalsContact O-CA 3.27Å; N698-N718 WeakPolarHBondContact O-CA 3.31Å; N698-Q719 PolarHBondContact O-N 2.9Å
699Q72.5Confident69.6Low60 Ų6037.6 Ų37.628%0.2818%0.184SC..EExtended strand (participates in β ladder)trans-143.373.8-160.4-63.5179.5-22.800118P120 I121 Q679 Q719P120-Q699 PolarHBondContact O-N 2.93Å; I121-Q699 VanDerWaalsContact CB-O 3.25Å; I121-Q699 WeakPolarHBondContact CB-O 2.98Å; I121-Q699 WeakPolarHBondContact CG2-O 3.27Å; Q679-Q699 VanDerWaalsContact NE2-OE1 3.13Å; Q699-Q719 CarbonylContact C-O 3.54Å; Q699-Q719 HydrophobicContact CG-CG 4.42Å
700G70.6Confident69.3Low16 Ų1635.5 Ų35.517%0.16518%0.175CC..EExtended strand (participates in β ladder)trans153.2-140.3155.700000118.6I121 K702 A703 Q719 G720 K721I121-G700 WeakPolarHBondContact CD1-O 3.47Å; I121-G700 VanDerWaalsContact CG2-CA 3.42Å; G700-K702 PolarHBondContact O-N 3.14Å; G700-A703 VanDerWaalsContact O-CB 3.27Å; G700-A703 WeakPolarHBondContact O-CB 3.48Å; G700-Q719 WeakPolarHBondContact CA-O 3.12Å; G700-Q719 PolarHBondContact N-O 3.42Å; G700-G720 VanDerWaalsContact C-CA 3.4Å; G700-G720 WeakPolarHBondContact O-CA 3.44Å; G700-K721 PolarHBondContact O-N 2.81Å
701K70.9Confident69.1Low120 Ų12040.4 Ų40.452%0.52219%0.189SC..EExtended strand (participates in β ladder)trans-23.6-75.9-170.8-66.4-158.9178.7-163.90119.6I121 K721 K722I121-K701 HydrophobicContact CD1-CB 4.02Å; I121-K701 HydrophobicContact CG1-CB 4.44Å; K701-K721 WeakPolarHBondContact O-CA 3.47Å; K701-K721 VanDerWaalsContact O-CB 3.25Å; K701-K721 WeakPolarHBondContact O-CB 3.43Å; K701-K721 PolarHBondContact O-N 2.82Å; K701-K721 VanDerWaalsContact O-N 3.13Å; K701-K722 PolarHBondContact O-N 3.01Å; K701-K722 VanDerWaalsContact O-N 3.16Å
702K69.7Low68.8Low66 Ų6640 Ų4029%0.28719%0.187SC..EExtended strand (participates in β ladder)trans-118.6110.4170.8170154.3170.2118.90111.2T119 P120 I121 K682 G700 E704 K722 D724T119-K702 PolarHBondContact OG1-O 3.05Å; P120-K702 WeakPolarHBondContact CG-O 3.39Å; I121-K702 WeakPolarHBondContact CD1-O 3.44Å; K682-K702 HydrophobicContact CG-CB 4.39Å; K682-K702 HydrophobicContact CG-CG 4.36Å; G700-K702 PolarHBondContact O-N 3.14Å; K702-E704 WeakPolarHBondContact CE-OE1 2.87Å; K702-E704 WeakPolarHBondContact CE-OE2 3.04Å; K702-E704 IonicContact NZ-OE1 2.64Å; K702-E704 PolarHBondContact NZ-OE1 2.82Å; K702-E704 IonicContact NZ-OE2 3.62Å; K702-K722 CarbonylContact C-O 3.57Å; K702-K722 WeakPolarHBondContact CA-O 3.11Å; K702-D724 IonicContact NZ-OD2 2.99Å; K702-D724 PolarHBondContact NZ-OD2 3.41Å
703A68.6Low68.4Low0 Ų036.3 Ų36.30%017%0.172CC..  trans-135.384.8-152.900000115.3T119 P120 G700 N718 Q719 K722 G723T119-A703 WeakPolarHBondContact OG1-CA 3.34Å; P120-A703 VanDerWaalsContact CG-CA 3.45Å; P120-A703 HydrophobicContact CG-CB 3.58Å; G700-A703 VanDerWaalsContact O-CB 3.27Å; G700-A703 WeakPolarHBondContact O-CB 3.48Å; A703-N718 VanDerWaalsContact C-OD1 3.31Å; A703-N718 WeakPolarHBondContact CB-OD1 3.25Å; A703-N718 PolarHBondContact O-ND2 3.08Å; A703-N718 PolarHBondContact O-OD1 2.93Å; A703-Q719 WeakPolarHBondContact CB-O 3.35Å; A703-K722 PolarHBondContact N-O 3.32Å; A703-G723 VanDerWaalsContact C-CA 3.42Å; A703-G723 CarbonylContact O-C 3.55Å; A703-G723 VanDerWaalsContact O-C 3.31Å; A703-G723 WeakPolarHBondContact O-CA 3.47Å
704E67.7Low68.5Low18 Ų1839.8 Ų39.88%0.08419%0.189CC..  trans-108172.3-170.2-60.5153.2120.200111.7H118 T119 N698 K702 V706 N718 D724H118-E704 CarbonylContact C-O 3.54Å; H118-E704 VanDerWaalsContact C-O 3.29Å; H118-E704 HydrophobicContact CB-CB 3.31Å; H118-E704 HydrophobicContact CB-CG 4.46Å; H118-E704 WeakPolarHBondContact ND1-CB 3.37Å; T119-E704 HydrophobicContact CG2-CB 4.06Å; T119-E704 HydrophobicContact CG2-CG 4.4Å; T119-E704 WeakPolarHBondContact CG2-OE2 2.99Å; T119-E704 PolarHBondContact N-O 2.84Å; T119-E704 PolarHBondContact OG1-N 3.25Å; N698-E704 PolarHBondContact ND2-O 2.68Å; N698-E704 VanDerWaalsContact ND2-O 3.15Å; K702-E704 WeakPolarHBondContact CE-OE1 2.87Å; K702-E704 WeakPolarHBondContact CE-OE2 3.04Å; K702-E704 IonicContact NZ-OE1 2.64Å; K702-E704 PolarHBondContact NZ-OE1 2.82Å; K702-E704 IonicContact NZ-OE2 3.62Å; E704-V706 PolarHBondContact O-N 2.94Å; E704-N718 PolarHBondContact O-ND2 3Å; E704-D724 CarbonylContact C-O 3.57Å; E704-D724 WeakPolarHBondContact CA-O 3.26Å; E704-D724 HydrophobicContact CB-CB 4.45Å; E704-D724 WeakPolarHBondContact CB-O 3.1Å; E704-D724 HydrophobicContact CG-CB 3.91Å; E704-D724 WeakPolarHBondContact CG-OD2 2.98Å
705G65.1Low68.3Low1 Ų138.6 Ų38.61%0.0119%0.188CC..  trans46.143.1149.500000121.1G117 H118 D724 G725G117-G705 CarbonylContact C-O 3.54Å; G117-G705 VanDerWaalsContact C-O 3.29Å; G117-G705 CarbonylContact O-C 3.44Å; G117-G705 WeakPolarHBondContact O-CA 3.35Å; H118-G705 PolarHBondContact N-O 2.9Å; H118-G705 VanDerWaalsContact ND1-CA 3.34Å; H118-G705 WeakPolarHBondContact ND1-CA 3.42Å; H118-G705 PolarHBondContact ND1-N 2.69Å; G705-D724 PolarHBondContact N-O 2.89Å; G705-G725 VanDerWaalsContact CA-O 3.26Å; G705-G725 WeakPolarHBondContact CA-O 3.41Å; G705-G725 PolarHBondContact N-O 2.9Å
706V68.8Low68.5Low0 Ų038 Ų380%018%0.182CC..  trans-67.6139.2162.8-170.20000109.1A696 N698 E704 T716 N718 N726 P727A696-V706 HydrophobicContact CB-CG1 3.52Å; A696-V706 WeakPolarHBondContact O-CG1 3.25Å; N698-V706 HydrophobicContact CB-CG2 3.48Å; N698-V706 VanDerWaalsContact CB-CG2 3.48Å; N698-V706 VanDerWaalsContact ND2-CG2 3.26Å; N698-V706 WeakPolarHBondContact ND2-CG2 3.35Å; E704-V706 PolarHBondContact O-N 2.94Å; V706-T716 HydrophobicContact CG1-CG2 3.62Å; V706-N718 HydrophobicContact CG2-CB 3.9Å; V706-N726 WeakPolarHBondContact CB-OD1 3.11Å; V706-N726 CarbonylContact O-C 3.5Å; V706-N726 WeakPolarHBondContact O-CA 3.23Å; V706-N726 PolarHBondContact O-OD1 3.04Å; V706-P727 WeakPolarHBondContact O-CD 3.26Å
707Q69.5Low68.4Low43 Ų4341.3 Ų41.320%0.20120%0.197CC..EExtended strand (participates in β ladder)trans-130.7138.7175.2-68.3171.7-2.800112.6V116 G117 A686 Q687 N688 P727V116-Q707 PolarHBondContact O-NE2 3.27Å; G117-Q707 PolarHBondContact O-NE2 3.33Å; A686-Q707 PolarHBondContact O-N 2.71Å; A686-Q707 VanDerWaalsContact O-N 3.12Å; Q687-Q707 WeakPolarHBondContact CA-O 3.19Å; Q687-Q707 HydrophobicContact CG-CB 4.29Å; N688-Q707 PolarHBondContact N-O 3.02Å; Q707-P727 WeakPolarHBondContact CA-O 3.37Å; Q707-P727 HydrophobicContact CG-CG 4.3Å
708S67.6Low68.1Low0 Ų039 Ų390%019%0.186CC..EExtended strand (participates in β ladder)trans-131.5135.2167.2-178.30000111.2N688 P727 N728 Q729N688-S708 CarbonylContact O-C 3.29Å; N688-S708 VanDerWaalsContact O-CA 3.25Å; N688-S708 WeakPolarHBondContact O-CA 3.48Å; S708-P727 PolarHBondContact N-O 3.15Å; S708-N728 WeakPolarHBondContact O-CA 3.07Å; S708-N728 PolarHBondContact O-OD1 2.7Å; S708-Q729 PolarHBondContact O-N 2.84Å
709Q71Confident68Low81 Ų8141.6 Ų41.638%0.37920%0.199SC..EExtended strand (participates in β ladder)trans-129.490.3174.6-61-177.2-50.800109.9N688 Q689 G690 Q729N688-Q709 PolarHBondContact O-N 3.48Å; Q689-Q709 CarbonylContact C-O 3.29Å; Q689-Q709 WeakPolarHBondContact CA-O 3.25Å; Q689-Q709 HydrophobicContact CG-CB 4.22Å; G690-Q709 PolarHBondContact N-O 2.99Å; Q709-Q729 CarbonylContact C-O 3.47Å; Q709-Q729 VanDerWaalsContact CA-O 3.32Å; Q709-Q729 WeakPolarHBondContact CA-O 3.33Å; Q709-Q729 HydrophobicContact CG-CB 4.26Å
710S64.8Low67.9Low4 Ų439.6 Ų39.63%0.02819%0.194CC..EExtended strand (participates in β ladder)trans-134.5137.5-172.4-81.50000113.1K712 Q729 G730S710-K712 VanDerWaalsContact C-N 3.32Å; S710-K712 PolarHBondContact O-N 2.85Å; S710-Q729 PolarHBondContact N-O 2.61Å; S710-G730 WeakPolarHBondContact O-CA 3.36Å
711K66.8Low67.7Low127 Ų12743.6 Ų43.655%0.55221%0.207SC*.EExtended strand (participates in β ladder)trans-65.4-33177.7-62.5-166.3178.9-170.10113G690 K691 K731 K732G690-K711 PolarHBondContact O-N 2.9Å; K691-K711 CarbonylContact O-C 3.59Å; K691-K711 WeakPolarHBondContact O-CA 3.15Å; K691-K711 WeakPolarHBondContact O-CB 3.38Å; K691-K711 PolarHBondContact O-N 2.86Å; K711-K731 WeakPolarHBondContact O-CB 3.39Å; K711-K731 PolarHBondContact O-N 2.69Å; K711-K732 PolarHBondContact O-N 2.72Å
712K65.7Low67.4Low119 Ų11943.7 Ų43.752%0.51721%0.207SC..EExtended strand (participates in β ladder)trans-136.9113.2164.3-178.1177.3179.3178.90109.3K691 K692 G693 S710 K732K691-K712 PolarHBondContact O-N 3.44Å; K692-K712 WeakPolarHBondContact CA-O 3.41Å; K692-K712 VanDerWaalsContact CG-O 3.26Å; K692-K712 WeakPolarHBondContact CG-O 3.38Å; G693-K712 PolarHBondContact N-O 2.94Å; S710-K712 VanDerWaalsContact C-N 3.32Å; S710-K712 PolarHBondContact O-N 2.85Å; K712-K732 VanDerWaalsContact CA-O 3.23Å; K712-K732 WeakPolarHBondContact CA-O 3.28Å
713G61.7Low67.1Low4 Ų440.5 Ų40.54%0.04119%0.193CC..EExtended strand (participates in β ladder)trans-155163.4-178.300000117.1G693 K732 G733 E734G693-G713 CarbonylContact O-C 3.5Å; G693-G713 WeakPolarHBondContact O-CA 3.28Å; G713-K732 PolarHBondContact N-O 3.4Å; G713-K732 VanDerWaalsContact N-O 3.15Å; G713-G733 WeakPolarHBondContact O-CA 3.23Å; G713-E734 PolarHBondContact O-N 2.88Å
714E64.6Low66.9Low73 Ų7341.9 Ų41.934%0.34120%0.201SC..PPolyproline II helixtrans-89.9165.3-176.5-59.5169.8-153.100112G693 E694G693-E714 PolarHBondContact O-N 2.92Å; E694-E714 HydrophobicContact CG-CG 4.45Å
715G63.6Low66.5Low18 Ų1841.8 Ų41.819%0.18620%0.204CC..PPolyproline II helixtrans-69.2131.7-169.200000115.9G695 E734 G735G695-G715 WeakPolarHBondContact CA-O 3.07Å; G715-E734 WeakPolarHBondContact CA-O 3.31Å; G715-G735 WeakPolarHBondContact CA-O 3.34Å
716T70.8Confident66.4Low0 Ų041.7 Ų41.70%020%0.204CC..PPolyproline II helixtrans-73.6132.8172.340.30000111.9A696 V706 N726 A736 S737A696-T716 WeakPolarHBondContact O-CA 3.26Å; V706-T716 HydrophobicContact CG1-CG2 3.62Å; T716-N726 WeakPolarHBondContact CB-OD1 3.38Å; T716-N726 PolarHBondContact O-ND2 3.44Å; T716-N726 PolarHBondContact OG1-OD1 3.1Å; T716-A736 CarbonylContact O-C 3.36Å; T716-A736 WeakPolarHBondContact O-CA 3.42Å; T716-S737 PolarHBondContact O-N 3.26Å
717Q69.8Low66.2Low69 Ų6943.1 Ų43.132%0.32221%0.213SC..EExtended strand (participates in β ladder)trans-116.7131.1-173-57.5-169.5-17.200113.4A696 Q697 N698A696-Q717 PolarHBondContact O-N 2.68Å; Q697-Q717 CarbonylContact C-O 3.55Å; Q697-Q717 VanDerWaalsContact CA-O 3.29Å; Q697-Q717 WeakPolarHBondContact CA-O 3.48Å; Q697-Q717 HydrophobicContact CG-CB 4.15Å; N698-Q717 PolarHBondContact N-O 3.45Å
718N68.7Low65.8Low0 Ų041.1 Ų41.10%020%0.204CC..EExtended strand (participates in β ladder)trans-132.9135.9179.2-158.95.4000109N698 A703 E704 V706 S737 N738 Q739N698-N718 WeakPolarHBondContact CB-OD1 3.44Å; N698-N718 CarbonylContact O-C 3.51Å; N698-N718 VanDerWaalsContact O-CA 3.27Å; N698-N718 WeakPolarHBondContact O-CA 3.31Å; A703-N718 VanDerWaalsContact C-OD1 3.31Å; A703-N718 WeakPolarHBondContact CB-OD1 3.25Å; A703-N718 PolarHBondContact O-ND2 3.08Å; A703-N718 PolarHBondContact O-OD1 2.93Å; E704-N718 PolarHBondContact O-ND2 3Å; V706-N718 HydrophobicContact CG2-CB 3.9Å; N718-S737 PolarHBondContact N-O 3.11Å; N718-N738 CarbonylContact O-C 3.58Å; N718-N738 VanDerWaalsContact O-CA 3.23Å; N718-N738 WeakPolarHBondContact O-CA 2.97Å; N718-N738 PolarHBondContact O-OD1 3.04Å; N718-Q739 PolarHBondContact O-N 2.96Å
719Q70Confident65.7Low55 Ų5544.3 Ų44.326%0.25722%0.218SC..EExtended strand (participates in β ladder)trans-142.3151.2-175.4-45.9178.9-12.100109.9N698 Q699 G700 A703 Q739N698-Q719 PolarHBondContact O-N 2.9Å; Q699-Q719 CarbonylContact C-O 3.54Å; Q699-Q719 HydrophobicContact CG-CG 4.42Å; G700-Q719 WeakPolarHBondContact CA-O 3.12Å; G700-Q719 PolarHBondContact N-O 3.42Å; A703-Q719 WeakPolarHBondContact CB-O 3.35Å; Q719-Q739 CarbonylContact C-O 3.55Å; Q719-Q739 WeakPolarHBondContact CA-O 3.36Å; Q719-Q739 HydrophobicContact CB-CB 4.11Å; Q719-Q739 HydrophobicContact CG-CB 4.1Å
720G69.6Low65.4Low17 Ų1741 Ų4118%0.17521%0.206CC..EExtended strand (participates in β ladder)trans159.8-155.8-177.300000122.7G700 Q739 N740 R741G700-G720 VanDerWaalsContact C-CA 3.4Å; G700-G720 WeakPolarHBondContact O-CA 3.44Å; G720-Q739 PolarHBondContact N-O 2.72Å; G720-N740 WeakPolarHBondContact CA-OD1 2.89Å; G720-N740 PolarHBondContact N-OD1 3.49Å; G720-R741 PolarHBondContact O-N 2.87Å
721K65.8Low65.3Low100 Ų10047.3 Ų47.344%0.43523%0.233SC..EExtended strand (participates in β ladder)trans-108.4-35.2174.3-58.9-167.4174.4-166.40113.8G700 K701 N740 R741 K742G700-K721 PolarHBondContact O-N 2.81Å; K701-K721 WeakPolarHBondContact O-CA 3.47Å; K701-K721 VanDerWaalsContact O-CB 3.25Å; K701-K721 WeakPolarHBondContact O-CB 3.43Å; K701-K721 PolarHBondContact O-N 2.82Å; K701-K721 VanDerWaalsContact O-N 3.13Å; K721-N740 PolarHBondContact N-OD1 2.76Å; K721-R741 WeakPolarHBondContact O-CB 3.41Å; K721-K742 PolarHBondContact O-N 2.82Å
722K66.3Low65.1Low122 Ų12245.2 Ų45.253%0.5322%0.224SC..EExtended strand (participates in β ladder)trans-136.9147.6168.4-77.7-165.5172.4-161.90106.9K701 K702 A703 K742K701-K722 PolarHBondContact O-N 3.01Å; K701-K722 VanDerWaalsContact O-N 3.16Å; K702-K722 CarbonylContact C-O 3.57Å; K702-K722 WeakPolarHBondContact CA-O 3.11Å; A703-K722 PolarHBondContact N-O 3.32Å; K722-K742 CarbonylContact C-O 3.56Å; K722-K742 WeakPolarHBondContact CA-O 3.44Å
723G63.5Low64.8Low0 Ų039.7 Ų39.70%020%0.2CC..  trans178.6118.1-17700000118.7A703 N740 K742 T743A703-G723 VanDerWaalsContact C-CA 3.42Å; A703-G723 CarbonylContact O-C 3.55Å; A703-G723 VanDerWaalsContact O-C 3.31Å; A703-G723 WeakPolarHBondContact O-CA 3.47Å; G723-N740 WeakPolarHBondContact CA-ND2 3.37Å; G723-N740 PolarHBondContact O-ND2 3.37Å; G723-K742 PolarHBondContact N-O 2.86Å; G723-T743 WeakPolarHBondContact O-CA 3.4Å; G723-T743 WeakPolarHBondContact O-CB 2.9Å; G723-T743 WeakPolarHBondContact O-CG2 2.88Å; G723-T743 PolarHBondContact O-OG1 3.42Å
724D63.4Low64.7Low29 Ų2943.3 Ų43.316%0.15522%0.216CC..  trans-122.9121.9-152.2-31.6-39.4000109H118 K702 E704 G705 D744H118-D724 PolarHBondContact ND1-O 2.95Å; K702-D724 IonicContact NZ-OD2 2.99Å; K702-D724 PolarHBondContact NZ-OD2 3.41Å; E704-D724 CarbonylContact C-O 3.57Å; E704-D724 WeakPolarHBondContact CA-O 3.26Å; E704-D724 HydrophobicContact CB-CB 4.45Å; E704-D724 WeakPolarHBondContact CB-O 3.1Å; E704-D724 HydrophobicContact CG-CB 3.91Å; E704-D724 WeakPolarHBondContact CG-OD2 2.98Å; G705-D724 PolarHBondContact N-O 2.89Å; D724-D744 CarbonylContact C-O 3.52Å; D724-D744 VanDerWaalsContact CA-O 3.32Å; D724-D744 WeakPolarHBondContact CA-O 3.35Å; D724-D744 HydrophobicContact CB-CB 4.24Å
725G60.4Low64.5Low15 Ų1540.8 Ų40.816%0.15521%0.21CC..  trans81.3131.2-173.400000115.8G705 D744 T745G705-G725 VanDerWaalsContact CA-O 3.26Å; G705-G725 WeakPolarHBondContact CA-O 3.41Å; G705-G725 PolarHBondContact N-O 2.9Å; G725-D744 PolarHBondContact N-O 3.02Å; G725-T745 WeakPolarHBondContact CA-O 3.38Å; G725-T745 PolarHBondContact N-O 2.75Å; G725-T745 VanDerWaalsContact N-O 3.12Å
726N63.1Low64.6Low0 Ų040 Ų400%020%0.202CC..  trans-153.366.2163-173.70.3000113V706 T716 A736 S737 V746V706-N726 WeakPolarHBondContact CB-OD1 3.11Å; V706-N726 CarbonylContact O-C 3.5Å; V706-N726 WeakPolarHBondContact O-CA 3.23Å; V706-N726 PolarHBondContact O-OD1 3.04Å; T716-N726 WeakPolarHBondContact CB-OD1 3.38Å; T716-N726 PolarHBondContact O-ND2 3.44Å; T716-N726 PolarHBondContact OG1-OD1 3.1Å; N726-A736 WeakPolarHBondContact O-CB 3.32Å; N726-S737 PolarHBondContact ND2-O 3.42Å; N726-V746 HydrophobicContact CB-CG1 3.97Å; N726-V746 HydrophobicContact CB-CG2 4.39Å; N726-V746 WeakPolarHBondContact O-CG1 3.46Å
727P63.6Low64.3Low30 Ų3041.2 Ų41.220%0.19521%0.21CC..  trans-76.6125.6-173.2-16.632.7000115.3V706 Q707 S708 A747V706-P727 WeakPolarHBondContact O-CD 3.26Å; Q707-P727 WeakPolarHBondContact CA-O 3.37Å; Q707-P727 HydrophobicContact CG-CG 4.3Å; S708-P727 PolarHBondContact N-O 3.15Å; P727-A747 VanDerWaalsContact CA-O 3.26Å; P727-A747 WeakPolarHBondContact CA-O 3.43Å; P727-A747 WeakPolarHBondContact CB-O 3.37Å
728N61.9Low63.9Low1 Ų137.9 Ų37.91%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-108.2124161.9-165.35.1000110.4S708 E734 N748 Q749S708-N728 WeakPolarHBondContact O-CA 3.07Å; S708-N728 PolarHBondContact O-OD1 2.7Å; N728-E734 PolarHBondContact ND2-O 3.02Å; N728-N748 WeakPolarHBondContact CB-OD1 3.35Å; N728-N748 PolarHBondContact N-OD1 3.43Å; N728-N748 WeakPolarHBondContact O-CA 3.34Å; N728-Q749 PolarHBondContact O-N 2.79Å; N728-Q749 VanDerWaalsContact O-N 3.08Å
729Q65.5Low63.9Low66 Ų6641.7 Ų41.731%0.30821%0.213SC..EExtended strand (participates in β ladder)trans-121.5120.9-179.4-59.5-176.4-29.800111.2S708 Q709 S710 Q749S708-Q729 PolarHBondContact O-N 2.84Å; Q709-Q729 CarbonylContact C-O 3.47Å; Q709-Q729 VanDerWaalsContact CA-O 3.32Å; Q709-Q729 WeakPolarHBondContact CA-O 3.33Å; Q709-Q729 HydrophobicContact CG-CB 4.26Å; S710-Q729 PolarHBondContact N-O 2.61Å; Q729-Q749 CarbonylContact C-O 3.6Å; Q729-Q749 VanDerWaalsContact CA-O 3.25Å; Q729-Q749 WeakPolarHBondContact CA-O 3.36Å; Q729-Q749 HydrophobicContact CG-CB 4.29Å
730G63.2Low63.7Low12 Ų1239.4 Ų39.412%0.12420%0.202CC..  trans-174.2152.7-171.200000117.7S710 Q749 G750 T751 Q753S710-G730 WeakPolarHBondContact O-CA 3.36Å; G730-Q749 PolarHBondContact N-O 2.95Å; G730-G750 CarbonylContact O-C 3.55Å; G730-G750 VanDerWaalsContact O-CA 3.26Å; G730-G750 WeakPolarHBondContact O-CA 3.35Å; G730-T751 PolarHBondContact O-N 2.92Å; G730-Q753 PolarHBondContact O-NE2 3.18Å; G730-Q753 VanDerWaalsContact O-NE2 3.1Å
731K63.6Low63.3Low137 Ų13745 Ų4560%0.59622%0.218SC*.SBendtrans-68.6-39.1178-73.6-155.9173.8-165.30112.5K711 T751 K752K711-K731 WeakPolarHBondContact O-CB 3.39Å; K711-K731 PolarHBondContact O-N 2.69Å; K731-T751 CarbonylContact O-C 3.58Å; K731-T751 WeakPolarHBondContact O-CB 3.15Å; K731-K752 PolarHBondContact O-N 3.21Å
732K61.7Low63.2Low83 Ų8345.6 Ų45.636%0.36122%0.221SC..EExtended strand (participates in β ladder)trans-127.2130.6156.7-167.1-177.2-176.7-154.60108.6K711 K712 G713 K752 E754K711-K732 PolarHBondContact O-N 2.72Å; K712-K732 VanDerWaalsContact CA-O 3.23Å; K712-K732 WeakPolarHBondContact CA-O 3.28Å; G713-K732 PolarHBondContact N-O 3.4Å; G713-K732 VanDerWaalsContact N-O 3.15Å; K732-K752 CarbonylContact C-O 3.47Å; K732-K752 VanDerWaalsContact CA-O 3.24Å; K732-K752 WeakPolarHBondContact CA-O 3.32Å; K732-K752 HydrophobicContact CG-CB 4.3Å; K732-E754 WeakPolarHBondContact CE-OE1 3.08Å; K732-E754 IonicContact NZ-OE1 3.31Å; K732-E754 PolarHBondContact NZ-OE1 2.77Å
733G59.4Low62.9Low2 Ų239.8 Ų39.82%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-139.3142.7176.200000112.6G713 K752 E754G713-G733 WeakPolarHBondContact O-CA 3.23Å; G733-K752 PolarHBondContact N-O 3.38Å; G733-E754 PolarHBondContact O-N 2.96Å
734E60.2Low62.8Low80 Ų8042.7 Ų42.737%0.37421%0.211SC..PPolyproline II helixtrans-87.9150.2163.3-64.3159-146.600109.2G713 G715 N728G713-E734 PolarHBondContact O-N 2.88Å; G715-E734 WeakPolarHBondContact CA-O 3.31Å; N728-E734 PolarHBondContact ND2-O 3.02Å
735G61.1Low62.4Low21 Ų2145.1 Ų45.122%0.21623%0.227CC..PPolyproline II helixtrans-75.2151.4-157.900000116.4G715 E754 G755G715-G735 WeakPolarHBondContact CA-O 3.34Å; G735-E754 WeakPolarHBondContact CA-O 3.32Å; G735-E754 PolarHBondContact N-O 3.48Å; G735-G755 WeakPolarHBondContact CA-O 3.37Å
736A64.2Low62.2Low1 Ų144.4 Ų44.41%0.00822%0.219CC..PPolyproline II helixtrans-69.9141.5175.400000111T716 N726 V746 V756 S757T716-A736 CarbonylContact O-C 3.36Å; T716-A736 WeakPolarHBondContact O-CA 3.42Å; N726-A736 WeakPolarHBondContact O-CB 3.32Å; A736-V746 HydrophobicContact CB-CG1 4.22Å; A736-V756 HydrophobicContact CB-CG1 4.41Å; A736-V756 HydrophobicContact CB-CG2 4.36Å; A736-V756 CarbonylContact O-C 3.52Å; A736-V756 VanDerWaalsContact O-CA 3.23Å; A736-V756 WeakPolarHBondContact O-CA 2.77Å; A736-V756 WeakPolarHBondContact O-CG1 3.17Å; A736-S757 PolarHBondContact O-N 2.98Å
737S64.7Low62.1Low25 Ų2545.7 Ų45.718%0.17523%0.23CC..EExtended strand (participates in β ladder)trans-114.4136.1178.1-174.30000111.8T716 N718 N726 S757T716-S737 PolarHBondContact O-N 3.26Å; N718-S737 PolarHBondContact N-O 3.11Å; N726-S737 PolarHBondContact ND2-O 3.42Å; S737-S757 WeakPolarHBondContact CA-O 3.21Å
738N62.6Low61.8Low0 Ų044.2 Ų44.20%022%0.22CC..EExtended strand (participates in β ladder)trans-137.1104.9-178.9-139-23.1000113.1N718 N740 T743 S757 N758 Q759N718-N738 CarbonylContact O-C 3.58Å; N718-N738 VanDerWaalsContact O-CA 3.23Å; N718-N738 WeakPolarHBondContact O-CA 2.97Å; N718-N738 PolarHBondContact O-OD1 3.04Å; N738-N740 PolarHBondContact OD1-ND2 3.38Å; N738-T743 VanDerWaalsContact ND2-CG2 3.31Å; N738-T743 WeakPolarHBondContact ND2-CG2 2.96Å; N738-S757 PolarHBondContact N-O 2.71Å; N738-N758 HydrophobicContact CB-CB 4.37Å; N738-N758 WeakPolarHBondContact CB-OD1 2.94Å; N738-N758 VanDerWaalsContact O-CA 3.28Å; N738-N758 WeakPolarHBondContact O-CA 3.23Å; N738-Q759 PolarHBondContact O-N 2.95Å
739Q68.1Low61.8Low80 Ų8047.8 Ų47.837%0.37424%0.237SC..EExtended strand (participates in β ladder)trans-106.268.3-178-64.8-174.8-8.100111.7N718 Q719 G720 Q759N718-Q739 PolarHBondContact O-N 2.96Å; Q719-Q739 CarbonylContact C-O 3.55Å; Q719-Q739 WeakPolarHBondContact CA-O 3.36Å; Q719-Q739 HydrophobicContact CB-CB 4.11Å; Q719-Q739 HydrophobicContact CG-CB 4.1Å; G720-Q739 PolarHBondContact N-O 2.72Å; Q739-Q759 HydrophobicContact CG-CB 4.49Å
740N65.5Low61.4Low7 Ų745.7 Ų45.74%0.03723%0.233CC..  trans-113171-172.4-94.5-43.2000112.6G720 K721 G723 N738 K742 T743 Q759 V760G720-N740 WeakPolarHBondContact CA-OD1 2.89Å; G720-N740 PolarHBondContact N-OD1 3.49Å; K721-N740 PolarHBondContact N-OD1 2.76Å; G723-N740 WeakPolarHBondContact CA-ND2 3.37Å; G723-N740 PolarHBondContact O-ND2 3.37Å; N738-N740 PolarHBondContact OD1-ND2 3.38Å; N740-K742 WeakPolarHBondContact CB-O 3.49Å; N740-T743 WeakPolarHBondContact CB-OG1 3.5Å; N740-T743 PolarHBondContact ND2-OG1 2.81Å; N740-T743 VanDerWaalsContact ND2-OG1 3.15Å; N740-Q759 PolarHBondContact N-O 3.01Å; N740-V760 HydrophobicContact CB-CG1 4.03Å; N740-V760 WeakPolarHBondContact O-CA 3.2Å; N740-V760 WeakPolarHBondContact O-CG1 3.01Å
741R62.5Low61.3Low133 Ų13347.6 Ų47.650%0.50224%0.243SC..SBendtrans-90.5-30.2167.2-53.1174.5-179.6-160-6.5112.3G720 K721 K761 K762G720-R741 PolarHBondContact O-N 2.87Å; K721-R741 WeakPolarHBondContact O-CB 3.41Å; R741-K761 WeakPolarHBondContact O-CB 3.27Å; R741-K761 PolarHBondContact O-N 2.96Å; R741-K762 PolarHBondContact O-N 3.12Å
742K63.3Low61.2Low114 Ų11447 Ų4750%0.49624%0.24SC..EExtended strand (participates in β ladder)trans-137.3135.6168.8-67.9-167.3172.1-159.50108.5K721 K722 G723 N740 K762K721-K742 PolarHBondContact O-N 2.82Å; K722-K742 CarbonylContact C-O 3.56Å; K722-K742 WeakPolarHBondContact CA-O 3.44Å; G723-K742 PolarHBondContact N-O 2.86Å; N740-K742 WeakPolarHBondContact CB-O 3.49Å; K742-K762 WeakPolarHBondContact CA-O 3.25Å
743T59.9Low61Low0 Ų043.2 Ų43.20%022%0.223CC..EExtended strand (participates in β ladder)trans-139.3131175-82.30000111.1G723 N738 N740 V746 K762 S763 E764G723-T743 WeakPolarHBondContact O-CA 3.4Å; G723-T743 WeakPolarHBondContact O-CB 2.9Å; G723-T743 WeakPolarHBondContact O-CG2 2.88Å; G723-T743 PolarHBondContact O-OG1 3.42Å; N738-T743 VanDerWaalsContact ND2-CG2 3.31Å; N738-T743 WeakPolarHBondContact ND2-CG2 2.96Å; N740-T743 WeakPolarHBondContact CB-OG1 3.5Å; N740-T743 PolarHBondContact ND2-OG1 2.81Å; N740-T743 VanDerWaalsContact ND2-OG1 3.15Å; T743-V746 HydrophobicContact CG2-CG2 3.74Å; T743-K762 PolarHBondContact N-O 2.61Å; T743-S763 WeakPolarHBondContact O-CA 3.17Å; T743-E764 PolarHBondContact O-N 3.34Å
744D60.1Low60.9Low60 Ų6045.9 Ų45.932%0.32124%0.236SC..EExtended strand (participates in β ladder)trans-116.4116.4-175.9-46.2-13.6000107.2D724 G725D724-D744 CarbonylContact C-O 3.52Å; D724-D744 VanDerWaalsContact CA-O 3.32Å; D724-D744 WeakPolarHBondContact CA-O 3.35Å; D724-D744 HydrophobicContact CB-CB 4.24Å; G725-D744 PolarHBondContact N-O 3.02Å
745T55.5Low60.8Low81 Ų8142.5 Ų42.550%0.49722%0.222SC..  trans60.3123.5-178.9-54.10000117.8G725 E764 G765G725-T745 WeakPolarHBondContact CA-O 3.38Å; G725-T745 PolarHBondContact N-O 2.75Å; G725-T745 VanDerWaalsContact N-O 3.12Å; T745-E764 WeakPolarHBondContact CA-O 3.35Å; T745-E764 PolarHBondContact N-O 3.46Å; T745-G765 CarbonylContact C-O 3.57Å; T745-G765 VanDerWaalsContact CA-O 3.32Å; T745-G765 WeakPolarHBondContact CA-O 3.19Å
746V57.1Low60.6Low0 Ų041.9 Ų41.90%021%0.214CC..  trans-135.5102.5166.2-1740000111.5N726 A736 T743 V756 G765 S766 P767N726-V746 HydrophobicContact CB-CG1 3.97Å; N726-V746 HydrophobicContact CB-CG2 4.39Å; N726-V746 WeakPolarHBondContact O-CG1 3.46Å; A736-V746 HydrophobicContact CB-CG1 4.22Å; T743-V746 HydrophobicContact CG2-CG2 3.74Å; V746-V756 HydrophobicContact CB-CG1 4.09Å; V746-V756 HydrophobicContact CG1-CB 4.45Å; V746-V756 HydrophobicContact CG1-CG1 3.52Å; V746-V756 HydrophobicContact CG1-CG2 4.04Å; V746-G765 PolarHBondContact N-O 3.16Å; V746-S766 CarbonylContact O-C 3.59Å; V746-S766 WeakPolarHBondContact O-CA 3.02Å; V746-P767 WeakPolarHBondContact O-CD 2.96Å
747A59.6Low60.3Low26 Ų2643.5 Ų43.522%0.21523%0.225CC..  trans-105.1109.4-173.700000113.2P727 P767P727-A747 VanDerWaalsContact CA-O 3.26Å; P727-A747 WeakPolarHBondContact CA-O 3.43Å; P727-A747 WeakPolarHBondContact CB-O 3.37Å; A747-P767 WeakPolarHBondContact CA-O 3.43Å; A747-P767 HydrophobicContact CB-CG 4.05Å
748N58.2Low59.9Low0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-97.7140.5169.6-86.817.9000110.9N728 Q753 V756 P767 N768 Q769N728-N748 WeakPolarHBondContact CB-OD1 3.35Å; N728-N748 PolarHBondContact N-OD1 3.43Å; N728-N748 WeakPolarHBondContact O-CA 3.34Å; N748-Q753 PolarHBondContact ND2-OE1 2.84Å; N748-V756 HydrophobicContact CB-CG2 4.17Å; N748-P767 PolarHBondContact N-O 2.97Å; N748-N768 WeakPolarHBondContact CB-OD1 3.39Å; N748-N768 WeakPolarHBondContact O-CA 3.42Å; N748-N768 PolarHBondContact O-OD1 3.27Å; N748-Q769 PolarHBondContact O-N 3.13Å
749Q61.3Low59.8Low75 Ų7547 Ų4735%0.3524%0.239SC..EExtended strand (participates in β ladder)trans-141.3128.1-178.5-64-178.2-1800112.9N728 Q729 G730 Q769N728-Q749 PolarHBondContact O-N 2.79Å; N728-Q749 VanDerWaalsContact O-N 3.08Å; Q729-Q749 CarbonylContact C-O 3.6Å; Q729-Q749 VanDerWaalsContact CA-O 3.25Å; Q729-Q749 WeakPolarHBondContact CA-O 3.36Å; Q729-Q749 HydrophobicContact CG-CB 4.29Å; G730-Q749 PolarHBondContact N-O 2.95Å; Q749-Q769 CarbonylContact C-O 3.53Å; Q749-Q769 WeakPolarHBondContact CA-O 3.46Å; Q749-Q769 HydrophobicContact CG-CB 4.33Å
750G58.6Low59.2Low22 Ų2243.6 Ų43.623%0.22722%0.223CC..EExtended strand (participates in β ladder)trans151.3-168.3162.200000115.9G730 K752 Q769 G770G730-G750 CarbonylContact O-C 3.55Å; G730-G750 VanDerWaalsContact O-CA 3.26Å; G730-G750 WeakPolarHBondContact O-CA 3.35Å; G750-K752 PolarHBondContact O-N 2.64Å; G750-Q769 PolarHBondContact N-O 3.15Å; G750-G770 WeakPolarHBondContact O-CA 3.41Å
751T60.3Low58.8Low53 Ų5349.6 Ų49.633%0.32525%0.249SC..EExtended strand (participates in β ladder)trans-70.8-39.6-156.5-36.30000113.6G730 K731 K771 K772G730-T751 PolarHBondContact O-N 2.92Å; K731-T751 CarbonylContact O-C 3.58Å; K731-T751 WeakPolarHBondContact O-CB 3.15Å; T751-K771 HydrophobicContact CG2-CB 4.05Å; T751-K771 HydrophobicContact CG2-CD 3.89Å; T751-K771 HydrophobicContact CG2-CG 4.01Å; T751-K771 WeakPolarHBondContact O-CB 3.47Å; T751-K771 PolarHBondContact O-N 3.31Å; T751-K772 PolarHBondContact O-N 3.12Å
752K60.3Low58.6Low124 Ų12446.2 Ų46.254%0.53924%0.238SC..EExtended strand (participates in β ladder)trans-135.6124167.8-64.4-169.8177.1-172.70108.2K731 K732 G733 G750 K772K731-K752 PolarHBondContact O-N 3.21Å; K732-K752 CarbonylContact C-O 3.47Å; K732-K752 VanDerWaalsContact CA-O 3.24Å; K732-K752 WeakPolarHBondContact CA-O 3.32Å; K732-K752 HydrophobicContact CG-CB 4.3Å; G733-K752 PolarHBondContact N-O 3.38Å; G750-K752 PolarHBondContact O-N 2.64Å; K752-K772 VanDerWaalsContact CA-O 3.31Å; K752-K772 WeakPolarHBondContact CA-O 3.11Å; K752-K772 HydrophobicContact CG-CB 4.26Å
753Q58.1Low58.3Low3 Ų340.9 Ų40.91%0.01422%0.215CC..EExtended strand (participates in β ladder)trans-132.5129.8178.7-72.2-72.6-33.300109.7G730 N748 K772 A773 E774G730-Q753 PolarHBondContact O-NE2 3.18Å; G730-Q753 VanDerWaalsContact O-NE2 3.1Å; N748-Q753 PolarHBondContact ND2-OE1 2.84Å; Q753-K772 PolarHBondContact N-O 2.96Å; Q753-K772 VanDerWaalsContact N-O 3.11Å; Q753-A773 WeakPolarHBondContact O-CA 3.33Å; Q753-E774 PolarHBondContact O-N 2.83Å
754E58.7Low58Low59 Ų5944.7 Ų44.728%0.27623%0.233SC..PPolyproline II helixtrans-86.1152.1165.5-64.2157.8-140.500108.5K732 G733 G735K732-E754 WeakPolarHBondContact CE-OE1 3.08Å; K732-E754 IonicContact NZ-OE1 3.31Å; K732-E754 PolarHBondContact NZ-OE1 2.77Å; G733-E754 PolarHBondContact O-N 2.96Å; G735-E754 WeakPolarHBondContact CA-O 3.32Å; G735-E754 PolarHBondContact N-O 3.48Å
755G56.2Low57.6Low9 Ų942.7 Ų42.79%0.09323%0.227CC..PPolyproline II helixtrans-80.5157-151.400000117.5G735 S757 E774 A776G735-G755 WeakPolarHBondContact CA-O 3.37Å; G755-S757 PolarHBondContact O-N 3.02Å; G755-E774 WeakPolarHBondContact CA-O 3.36Å; G755-E774 PolarHBondContact N-O 2.82Å; G755-A776 WeakPolarHBondContact O-CB 3.28Å
756V57.4Low57.6Low7 Ų739.4 Ų39.44%0.04221%0.207CC..PPolyproline II helixtrans-70.7121175.2-179.70000110.4A736 V746 N748 N778A736-V756 HydrophobicContact CB-CG1 4.41Å; A736-V756 HydrophobicContact CB-CG2 4.36Å; A736-V756 CarbonylContact O-C 3.52Å; A736-V756 VanDerWaalsContact O-CA 3.23Å; A736-V756 WeakPolarHBondContact O-CA 2.77Å; A736-V756 WeakPolarHBondContact O-CG1 3.17Å; V746-V756 HydrophobicContact CB-CG1 4.09Å; V746-V756 HydrophobicContact CG1-CB 4.45Å; V746-V756 HydrophobicContact CG1-CG1 3.52Å; V746-V756 HydrophobicContact CG1-CG2 4.04Å; N748-V756 HydrophobicContact CB-CG2 4.17Å; V756-N778 PolarHBondContact O-ND2 2.91Å
757S58.3Low57.6Low36 Ų3640.9 Ų40.925%0.25222%0.216SC..EExtended strand (participates in β ladder)trans-103.8111.1177.1-174.10000111.6A736 S737 N738 G755 P777A736-S757 PolarHBondContact O-N 2.98Å; S737-S757 WeakPolarHBondContact CA-O 3.21Å; N738-S757 PolarHBondContact N-O 2.71Å; G755-S757 PolarHBondContact O-N 3.02Å; S757-P777 PolarHBondContact OG-O 3.09Å
758N57.3Low57.3Low0 Ų040.2 Ų40.20%021%0.209CC..EExtended strand (participates in β ladder)trans-114.4127.7176.6-42.5-79.4000111.9N738 V760 S766 N778 Q779N738-N758 HydrophobicContact CB-CB 4.37Å; N738-N758 WeakPolarHBondContact CB-OD1 2.94Å; N738-N758 VanDerWaalsContact O-CA 3.28Å; N738-N758 WeakPolarHBondContact O-CA 3.23Å; N758-V760 HydrophobicContact CB-CG1 4.36Å; N758-V760 HydrophobicContact CB-CG2 3.62Å; N758-S766 PolarHBondContact ND2-OG 3.42Å; N758-S766 VanDerWaalsContact ND2-OG 3.09Å; N758-N778 WeakPolarHBondContact CB-OD1 3.42Å; N758-N778 PolarHBondContact N-OD1 3.46Å; N758-N778 PolarHBondContact ND2-OD1 2.94Å; N758-N778 CarbonylContact O-C 3.46Å; N758-N778 PolarHBondContact O-OD1 3.34Å; N758-Q779 PolarHBondContact O-N 3.13Å
759Q58.8Low57.3Low99 Ų9943.4 Ų43.446%0.46322%0.224SC..  trans-106.899.8167.7-67.1-177.41.900108.5N738 Q739 N740N738-Q759 PolarHBondContact O-N 2.95Å; Q739-Q759 HydrophobicContact CG-CB 4.49Å; N740-Q759 PolarHBondContact N-O 3.01Å
760V57Low57.1Low7 Ų741 Ų414%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-147.2140.7-160.2-87.50000113.7N740 N758 Q779 G780N740-V760 HydrophobicContact CB-CG1 4.03Å; N740-V760 WeakPolarHBondContact O-CA 3.2Å; N740-V760 WeakPolarHBondContact O-CG1 3.01Å; N758-V760 HydrophobicContact CB-CG1 4.36Å; N758-V760 HydrophobicContact CB-CG2 3.62Å; V760-Q779 PolarHBondContact N-O 3.42Å; V760-Q779 VanDerWaalsContact N-O 3.12Å; V760-G780 WeakPolarHBondContact O-CA 3.33Å
761K56.7Low57Low133 Ų13346.4 Ų46.458%0.57824%0.237SC*.EExtended strand (participates in β ladder)trans-78.6-37.8177.7-63-169.4176.7-170.60112.9R741 K782R741-K761 WeakPolarHBondContact O-CB 3.27Å; R741-K761 PolarHBondContact O-N 2.96Å; K761-K782 PolarHBondContact O-N 3.13Å
762K58.6Low56.8Low62 Ų6246.4 Ų46.427%0.2723%0.233SC..EExtended strand (participates in β ladder)trans-132.1143.3160.8-157.4-147.1173-1620109R741 K742 T743 E764 K782 D784R741-K762 PolarHBondContact O-N 3.12Å; K742-K762 WeakPolarHBondContact CA-O 3.25Å; T743-K762 PolarHBondContact N-O 2.61Å; K762-E764 IonicContact NZ-OE1 2.66Å; K762-E764 PolarHBondContact NZ-OE1 2.85Å; K762-K782 WeakPolarHBondContact CA-O 3.38Å; K762-K782 HydrophobicContact CG-CB 4.43Å; K762-D784 WeakPolarHBondContact CE-OD2 3.21Å; K762-D784 IonicContact NZ-OD2 2.87Å; K762-D784 PolarHBondContact NZ-OD2 3.17Å
763S55.6Low56.7Low3 Ų340.6 Ų40.62%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-144.8145164.755.80000112.7T743 K783 D784T743-S763 WeakPolarHBondContact O-CA 3.17Å; S763-K783 WeakPolarHBondContact OG-CE 3.32Å; S763-K783 WeakPolarHBondContact OG-CG 3.47Å; S763-D784 PolarHBondContact O-N 2.93Å
764E54.9Low56.6Low80 Ų8043.8 Ų43.837%0.37422%0.223SC..EExtended strand (participates in β ladder)trans-109.5119.2175.6-70.8161.1-150.900109T743 T745 K762 D784T743-E764 PolarHBondContact O-N 3.34Å; T745-E764 WeakPolarHBondContact CA-O 3.35Å; T745-E764 PolarHBondContact N-O 3.46Å; K762-E764 IonicContact NZ-OE1 2.66Å; K762-E764 PolarHBondContact NZ-OE1 2.85Å; E764-D784 WeakPolarHBondContact CG-OD2 3.2Å
765G51.3Low56.4Low18 Ų1842.7 Ų42.719%0.18623%0.227CC..  trans52.2106.6166.700000118.5T745 V746 P767T745-G765 CarbonylContact C-O 3.57Å; T745-G765 VanDerWaalsContact CA-O 3.32Å; T745-G765 WeakPolarHBondContact CA-O 3.19Å; V746-G765 PolarHBondContact N-O 3.16Å; G765-P767 WeakPolarHBondContact O-CD 3.4Å
766S54.6Low56.3Low12 Ų1243.2 Ų43.28%0.08423%0.23CC..  trans-111.666.4167.6-62.60000113.1V746 N758 S786V746-S766 CarbonylContact O-C 3.59Å; V746-S766 WeakPolarHBondContact O-CA 3.02Å; N758-S766 PolarHBondContact ND2-OG 3.42Å; N758-S766 VanDerWaalsContact ND2-OG 3.09Å; S766-S786 PolarHBondContact N-OG 2.9Å
767P57.3Low56.1Low30 Ų3046.8 Ų46.820%0.19525%0.254CS..  trans-65.3137.5-175.926.9-34.6000113.2V746 A747 N748 G765 P787V746-P767 WeakPolarHBondContact O-CD 2.96Å; A747-P767 WeakPolarHBondContact CA-O 3.43Å; A747-P767 HydrophobicContact CB-CG 4.05Å; N748-P767 PolarHBondContact N-O 2.97Å; G765-P767 WeakPolarHBondContact O-CD 3.4Å; P767-P787 WeakPolarHBondContact CA-O 3.32Å; P767-P787 HydrophobicContact CB-CG 4.33Å; P767-P787 WeakPolarHBondContact CB-O 3.43Å
768N53.3Low55.7Low12 Ų1246 Ų466%0.06425%0.247CC..EExtended strand (participates in β ladder)trans-128.6112.7177.3-166.36.4000109.6N748 P787 S788 Q789N748-N768 WeakPolarHBondContact CB-OD1 3.39Å; N748-N768 WeakPolarHBondContact O-CA 3.42Å; N748-N768 PolarHBondContact O-OD1 3.27Å; N768-P787 PolarHBondContact N-O 3.47Å; N768-S788 VanDerWaalsContact O-CA 3.22Å; N768-S788 WeakPolarHBondContact O-CA 3.43Å; N768-S788 WeakPolarHBondContact O-CB 2.95Å; N768-S788 PolarHBondContact O-OG 2.85Å; N768-Q789 PolarHBondContact O-N 3.48Å; N768-Q789 VanDerWaalsContact O-N 3.13Å
769Q59Low55.5Low67 Ų6750.6 Ų50.631%0.31327%0.268SS..EExtended strand (participates in β ladder)trans-115.7136.3-171.9-56.1177.3-55.500111.4N748 Q749 G750 Q789N748-Q769 PolarHBondContact O-N 3.13Å; Q749-Q769 CarbonylContact C-O 3.53Å; Q749-Q769 WeakPolarHBondContact CA-O 3.46Å; Q749-Q769 HydrophobicContact CG-CB 4.33Å; G750-Q769 PolarHBondContact N-O 3.15Å; Q769-Q789 CarbonylContact C-O 3.54Å; Q769-Q789 VanDerWaalsContact CA-O 3.28Å; Q769-Q789 WeakPolarHBondContact CA-O 3.46Å; Q769-Q789 HydrophobicContact CG-CB 4.24Å
770G56.5Low55.3Low26 Ų2646.9 Ų46.927%0.26826%0.256SS..EExtended strand (participates in β ladder)trans-178.3-158.6-173.700000118.9G750 Q789 A790G750-G770 WeakPolarHBondContact O-CA 3.41Å; G770-Q789 PolarHBondContact N-O 3.5Å; G770-A790 VanDerWaalsContact O-CA 3.27Å; G770-A790 WeakPolarHBondContact O-CA 3.41Å; G770-A790 WeakPolarHBondContact O-CB 3.33Å
771K57.3Low55.1Low135 Ų13553 Ų5359%0.58728%0.282SS*.EExtended strand (participates in β ladder)trans-105.1-38.2166.8-65.2-165.4-177.8-1730112.1T751 K791 K792T751-K771 HydrophobicContact CG2-CB 4.05Å; T751-K771 HydrophobicContact CG2-CD 3.89Å; T751-K771 HydrophobicContact CG2-CG 4.01Å; T751-K771 WeakPolarHBondContact O-CB 3.47Å; T751-K771 PolarHBondContact O-N 3.31Å; K771-K791 PolarHBondContact O-N 2.99Å; K771-K792 PolarHBondContact O-N 2.64Å
772K56.4Low55Low53 Ų5352.9 Ų52.923%0.2328%0.282CS..EExtended strand (participates in β ladder)trans-124.8131.3158.1-162.1-168.8-175.3-152.10109.2T751 K752 Q753 E774 K792 D794T751-K772 PolarHBondContact O-N 3.12Å; K752-K772 VanDerWaalsContact CA-O 3.31Å; K752-K772 WeakPolarHBondContact CA-O 3.11Å; K752-K772 HydrophobicContact CG-CB 4.26Å; Q753-K772 PolarHBondContact N-O 2.96Å; Q753-K772 VanDerWaalsContact N-O 3.11Å; K772-E774 WeakPolarHBondContact CD-OE1 3.31Å; K772-E774 WeakPolarHBondContact CE-OE1 2.96Å; K772-E774 VanDerWaalsContact NZ-CD 3.3Å; K772-E774 IonicContact NZ-OE1 2.68Å; K772-E774 PolarHBondContact NZ-OE1 3.01Å; K772-K792 WeakPolarHBondContact CA-O 3.27Å; K772-K792 HydrophobicContact CG-CB 3.94Å; K772-D794 WeakPolarHBondContact CE-OD2 3.42Å; K772-D794 IonicContact NZ-OD2 2.64Å; K772-D794 PolarHBondContact NZ-OD2 3.41Å
773A58Low54.5Low1 Ų150.9 Ų50.91%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-123.2124.6168.200000109.1Q753 A790 K792 V793 D794Q753-A773 WeakPolarHBondContact O-CA 3.33Å; A773-A790 HydrophobicContact CB-CB 3.94Å; A773-K792 PolarHBondContact N-O 3.22Å; A773-V793 WeakPolarHBondContact O-CA 3Å; A773-D794 PolarHBondContact O-N 3.28Å
774E55.9Low54.2Low71 Ų7153.7 Ų53.733%0.33229%0.288SS..EExtended strand (participates in β ladder)trans-97.3137.5166.9-75.2154.7-128.300107.9Q753 G755 K772 D794Q753-E774 PolarHBondContact O-N 2.83Å; G755-E774 WeakPolarHBondContact CA-O 3.36Å; G755-E774 PolarHBondContact N-O 2.82Å; K772-E774 WeakPolarHBondContact CD-OE1 3.31Å; K772-E774 WeakPolarHBondContact CE-OE1 2.96Å; K772-E774 VanDerWaalsContact NZ-CD 3.3Å; K772-E774 IonicContact NZ-OE1 2.68Å; K772-E774 PolarHBondContact NZ-OE1 3.01Å; E774-D794 HydrophobicContact CG-CB 4.05Å
775G53.3Low53.9Low36 Ų3651 Ų5137%0.37128%0.281SS..  trans-74.3167.2173.600000112.1D794G775-D794 PolarHBondContact N-O 2.85Å
776A54.5Low53.9Low19 Ų1952.5 Ų52.516%0.15729%0.289CS..  trans-133.8147.716700000110.2G755 N778G755-A776 WeakPolarHBondContact O-CB 3.28Å; A776-N778 PolarHBondContact O-ND2 3.41Å
777P53.3Low53.8Low83 Ų8354.4 Ų54.454%0.53930%0.301SS..  trans-62.1141.2-17524.5-34.2000112S757S757-P777 PolarHBondContact OG-O 3.09Å
778N49.9Very low53.3Low19 Ų1953.8 Ų53.810%0.10230%0.297CS..EExtended strand (participates in β ladder)trans-140.283.7-158.1-117-72.6000111.3V756 N758 A776 K783 N798V756-N778 PolarHBondContact O-ND2 2.91Å; N758-N778 WeakPolarHBondContact CB-OD1 3.42Å; N758-N778 PolarHBondContact N-OD1 3.46Å; N758-N778 PolarHBondContact ND2-OD1 2.94Å; N758-N778 CarbonylContact O-C 3.46Å; N758-N778 PolarHBondContact O-OD1 3.34Å; A776-N778 PolarHBondContact O-ND2 3.41Å; N778-K783 VanDerWaalsContact CB-NZ 3.34Å; N778-K783 PolarHBondContact O-NZ 3.13Å; N778-K783 PolarHBondContact OD1-NZ 3.26Å; N778-N798 WeakPolarHBondContact CB-OD1 3.33Å
779Q54.1Low53.5Low97 Ų9757.2 Ų57.245%0.45331%0.313SS..EExtended strand (participates in β ladder)trans-81.4139.8-174.5-65.1174.6-9.900112.9N758 V760 K783 Q799N758-Q779 PolarHBondContact O-N 3.13Å; V760-Q779 PolarHBondContact N-O 3.42Å; V760-Q779 VanDerWaalsContact N-O 3.12Å; Q779-K783 PolarHBondContact O-NZ 2.71Å; Q779-Q799 WeakPolarHBondContact CA-O 3.22Å; Q779-Q799 HydrophobicContact CG-CB 4.5Å
780G54Low53.3Low20 Ų2054.2 Ų54.221%0.20630%0.3CS..EExtended strand (participates in β ladder)trans-175.9-178.8175.100000117.8V760 Q799 G800V760-G780 WeakPolarHBondContact O-CA 3.33Å; G780-Q799 PolarHBondContact N-O 3.38Å; G780-G800 WeakPolarHBondContact O-CA 3.33Å
781K53.3Low53.2Low136 Ų13658.6 Ų58.659%0.59131%0.312SS*.EExtended strand (participates in β ladder)trans-102.4-34.8179.3-71.4-154.9174.1-162.60114.9K802K781-K802 PolarHBondContact O-N 3.24Å
782K52.9Low53Low130 Ų13057.4 Ų57.457%0.56531%0.306SS*.EExtended strand (participates in β ladder)trans-143.2133.9171.6-67.9-168.3175.5-168.80109.2K761 K762 K802K761-K782 PolarHBondContact O-N 3.13Å; K762-K782 WeakPolarHBondContact CA-O 3.38Å; K762-K782 HydrophobicContact CG-CB 4.43Å; K782-K802 CarbonylContact C-O 3.52Å; K782-K802 WeakPolarHBondContact CA-O 3.39Å
783K48.5Very low52.9Low21 Ų2155.2 Ų55.29%0.09130%0.298CS..EExtended strand (participates in β ladder)trans-141.3137175.4-65.7-167.6171.1176.10111.9S763 N778 Q779 K802 E804S763-K783 WeakPolarHBondContact OG-CE 3.32Å; S763-K783 WeakPolarHBondContact OG-CG 3.47Å; N778-K783 VanDerWaalsContact CB-NZ 3.34Å; N778-K783 PolarHBondContact O-NZ 3.13Å; N778-K783 PolarHBondContact OD1-NZ 3.26Å; Q779-K783 PolarHBondContact O-NZ 2.71Å; K783-K802 PolarHBondContact N-O 3.21Å; K783-K802 VanDerWaalsContact N-O 3.07Å; K783-E804 PolarHBondContact O-N 3.35Å; K783-E804 VanDerWaalsContact O-N 3.15Å
784D50.5Low52.8Low62 Ų6257.2 Ų57.233%0.33231%0.308SS..  trans-95.5147.3169.7-42.8-36.1000107.1K762 S763 E764K762-D784 WeakPolarHBondContact CE-OD2 3.21Å; K762-D784 IonicContact NZ-OD2 2.87Å; K762-D784 PolarHBondContact NZ-OD2 3.17Å; S763-D784 PolarHBondContact O-N 2.93Å; E764-D784 WeakPolarHBondContact CG-OD2 3.2Å
785G47.2Very low52.7Low22 Ų2255.4 Ų55.423%0.22731%0.305CS..  trans-61.6151.9-161.400000116.6P787 E804 A806G785-P787 WeakPolarHBondContact O-CD 3.32Å; G785-E804 VanDerWaalsContact CA-O 3.22Å; G785-E804 WeakPolarHBondContact CA-O 3.34Å; G785-A806 VanDerWaalsContact C-CB 3.5Å
786S51.5Low52.7Low50 Ų5055 Ų5535%0.3530%0.299SS..  trans-115.393.2-178.6-63.20000111.7S766 S788S766-S786 PolarHBondContact N-OG 2.9Å; S786-S788 PolarHBondContact O-N 3.29Å
787P53.1Low52.6Low53 Ų5356.2 Ų56.234%0.34431%0.309SS..  trans-71.9127-173.426.5-32.3000111.3P767 N768 G785 A806P767-P787 WeakPolarHBondContact CA-O 3.32Å; P767-P787 HydrophobicContact CB-CG 4.33Å; P767-P787 WeakPolarHBondContact CB-O 3.43Å; N768-P787 PolarHBondContact N-O 3.47Å; G785-P787 WeakPolarHBondContact O-CD 3.32Å; P787-A806 HydrophobicContact CB-CB 4.01Å; P787-A806 HydrophobicContact CG-CB 4.43Å
788S48Very low52.4Low16 Ų1655.1 Ų55.111%0.11230%0.298CS..EExtended strand (participates in β ladder)trans-110.4127.6174.7-173.60000110.2N768 S786 A808 Q809N768-S788 VanDerWaalsContact O-CA 3.22Å; N768-S788 WeakPolarHBondContact O-CA 3.43Å; N768-S788 WeakPolarHBondContact O-CB 2.95Å; N768-S788 PolarHBondContact O-OG 2.85Å; S786-S788 PolarHBondContact O-N 3.29Å; S788-A808 CarbonylContact O-C 3.58Å; S788-A808 WeakPolarHBondContact O-CA 3.42Å; S788-Q809 PolarHBondContact O-N 3.24Å
789Q56Low52.4Low84 Ų8460.2 Ų60.239%0.39332%0.321SS..EExtended strand (participates in β ladder)trans-11795.8-179.9-78.2169.4-20.700109.4N768 Q769 G770 Q809N768-Q789 PolarHBondContact O-N 3.48Å; N768-Q789 VanDerWaalsContact O-N 3.13Å; Q769-Q789 CarbonylContact C-O 3.54Å; Q769-Q789 VanDerWaalsContact CA-O 3.28Å; Q769-Q789 WeakPolarHBondContact CA-O 3.46Å; Q769-Q789 HydrophobicContact CG-CB 4.24Å; G770-Q789 PolarHBondContact N-O 3.5Å; Q789-Q809 WeakPolarHBondContact CA-O 3.38Å; Q789-Q809 HydrophobicContact CG-CB 3.93Å
790A55.4Low52.2Low5 Ų557 Ų574%0.04132%0.315CS..EExtended strand (participates in β ladder)trans-150.8146.2176.900000113G770 A773 K792 V793 Q809 G810G770-A790 VanDerWaalsContact O-CA 3.27Å; G770-A790 WeakPolarHBondContact O-CA 3.41Å; G770-A790 WeakPolarHBondContact O-CB 3.33Å; A773-A790 HydrophobicContact CB-CB 3.94Å; A790-K792 VanDerWaalsContact CB-O 3.31Å; A790-K792 WeakPolarHBondContact CB-O 3.21Å; A790-K792 PolarHBondContact O-N 3.5Å; A790-K792 VanDerWaalsContact O-N 3.13Å; A790-V793 HydrophobicContact CB-CG2 3.89Å; A790-Q809 PolarHBondContact N-O 2.9Å; A790-Q809 VanDerWaalsContact N-O 3.13Å; A790-G810 WeakPolarHBondContact O-CA 3.5Å
791K54.9Low52Low118 Ų11864 Ų6451%0.51334%0.339SS..EExtended strand (participates in β ladder)trans-55.6-33.9-179-73.2-172.6172.9-103.50113.1K771 Q811 K812K771-K791 PolarHBondContact O-N 2.99Å; K791-Q811 PolarHBondContact O-N 2.91Å; K791-K812 PolarHBondContact O-N 3.14Å
792K51.8Low51.9Low109 Ų10964.6 Ų64.647%0.47434%0.342SS..EExtended strand (participates in β ladder)trans-120135.8158.4-86.2-162.8168.2-1590111K771 K772 A773 A790 K812K771-K792 PolarHBondContact O-N 2.64Å; K772-K792 WeakPolarHBondContact CA-O 3.27Å; K772-K792 HydrophobicContact CG-CB 3.94Å; A773-K792 PolarHBondContact N-O 3.22Å; A790-K792 VanDerWaalsContact CB-O 3.31Å; A790-K792 WeakPolarHBondContact CB-O 3.21Å; A790-K792 PolarHBondContact O-N 3.5Å; A790-K792 VanDerWaalsContact O-N 3.13Å; K792-K812 WeakPolarHBondContact CA-O 3.48Å; K792-K812 HydrophobicContact CG-CB 4.08Å
793V55.4Low51.5Low8 Ų861 Ų615%0.04833%0.333CS..EExtended strand (participates in β ladder)trans-128.1121.8170.5-179.20000108.8A773 A790 A808 K812 A813 S814A773-V793 WeakPolarHBondContact O-CA 3Å; A790-V793 HydrophobicContact CB-CG2 3.89Å; V793-A808 HydrophobicContact CB-CB 4.37Å; V793-A808 HydrophobicContact CG1-CB 4.03Å; V793-A808 HydrophobicContact CG2-CB 4.5Å; V793-K812 PolarHBondContact N-O 3.3Å; V793-A813 HydrophobicContact CB-CB 4.29Å; V793-A813 CarbonylContact O-C 3.59Å; V793-A813 WeakPolarHBondContact O-CA 3.22Å; V793-S814 PolarHBondContact O-N 3.21Å
794D56.1Low51.6Low42 Ų4266.9 Ų66.923%0.22536%0.361CS..EExtended strand (participates in β ladder)trans-106.3102.7175.1-53.3-0.2000106.8K772 A773 E774 G775K772-D794 WeakPolarHBondContact CE-OD2 3.42Å; K772-D794 IonicContact NZ-OD2 2.64Å; K772-D794 PolarHBondContact NZ-OD2 3.41Å; A773-D794 PolarHBondContact O-N 3.28Å; E774-D794 HydrophobicContact CG-CB 4.05Å; G775-D794 PolarHBondContact N-O 2.85Å
795A53.8Low51.2Low33 Ų3370.1 Ų70.127%0.27338%0.376SS..PPolyproline II helixtrans-77.2137-170.600000112.5S814 V816A795-S814 PolarHBondContact N-O 3.15Å; A795-S814 VanDerWaalsContact N-O 3.17Å; A795-V816 WeakPolarHBondContact O-CB 3.47Å; A795-V816 VanDerWaalsContact O-CG2 3.32Å; A795-V816 WeakPolarHBondContact O-CG2 3.22Å
796A53Low51.4Low29 Ų2970.5 Ų70.524%0.2438%0.376CS..PPolyproline II helixtrans-100.9152.8175.800000112.3N798A796-N798 PolarHBondContact O-N 3.06Å
797A53Low51.4Low44 Ų4472.3 Ų72.336%0.36439%0.387SS..PPolyproline II helixtrans-65131.4-176.400000113.1S818A797-S818 WeakPolarHBondContact CA-OG 3.32Å
798N47.9Very low51.2Low60 Ų6072.1 Ų72.132%0.32139%0.39SS..EExtended strand (participates in β ladder)trans-103.9133.3174-73.2-62.6000109.7N778 A796 S818N778-N798 WeakPolarHBondContact CB-OD1 3.33Å; A796-N798 PolarHBondContact O-N 3.06Å; N798-S818 PolarHBondContact N-OG 3.07Å; N798-S818 VanDerWaalsContact N-OG 3.14Å
799Q50.5Low51.5Low126 Ų12676.8 Ų76.859%0.58941%0.41SS*.EExtended strand (participates in β ladder)trans-121.3114.8176.1-71.1-178.6-7.100109.9Q779 G780Q779-Q799 WeakPolarHBondContact CA-O 3.22Å; Q779-Q799 HydrophobicContact CG-CB 4.5Å; G780-Q799 PolarHBondContact N-O 3.38Å
800G49.2Very low51.2Low30 Ų3074.3 Ų74.331%0.30941%0.407SS..EExtended strand (participates in β ladder)trans-172.9157.2174.200000114.5G780 K802G780-G800 WeakPolarHBondContact O-CA 3.33Å; G800-K802 VanDerWaalsContact C-N 3.31Å; G800-K802 PolarHBondContact O-N 2.99Å
801K51.2Low51.2Low165 Ų16580.8 Ų80.872%0.71744%0.437SS*.SBendtrans-73.8-16.1-173-68.3-149.7170.9-150.80115.1
802K49.5Very low50.8Low149 Ų14982.5 Ų82.565%0.64844%0.444SS*.SBendtrans-150.1125.5162.8-68.6-157.3174.3-152.40108.4K781 K782 K783 G800K781-K802 PolarHBondContact O-N 3.24Å; K782-K802 CarbonylContact C-O 3.52Å; K782-K802 WeakPolarHBondContact CA-O 3.39Å; K783-K802 PolarHBondContact N-O 3.21Å; K783-K802 VanDerWaalsContact N-O 3.07Å; G800-K802 VanDerWaalsContact C-N 3.31Å; G800-K802 PolarHBondContact O-N 2.99Å
803S44.9Very low50.5Low55 Ų5580 Ų8039%0.38544%0.444SS..BIsolated β-bridgetrans-147.2120175.150.80000110.1
804E50.4Low50.1Low145 Ų14582.6 Ų82.668%0.67846%0.462SS*.PPolyproline II helixtrans-85.5135.8167.6-72.7168-160.800109.2K783 G785K783-E804 PolarHBondContact O-N 3.35Å; K783-E804 VanDerWaalsContact O-N 3.15Å; G785-E804 VanDerWaalsContact CA-O 3.22Å; G785-E804 WeakPolarHBondContact CA-O 3.34Å
805M43.6Very low49.6Very low130 Ų13087.4 Ų87.464%0.6449%0.485SS*.PPolyproline II helixtrans-92.8117.5174.8-72.3-179.259.900109.3M815M805-M815 HydrophobicContact CE-CE 3.68Å
806A50.4Low49.1Very low29 Ų2990 Ų9024%0.2450%0.497CS..PPolyproline II helixtrans-77.5150164.700000109.7G785 P787G785-A806 VanDerWaalsContact C-CB 3.5Å; P787-A806 HydrophobicContact CB-CB 4.01Å; P787-A806 HydrophobicContact CG-CB 4.43Å
807P50.8Low48.5Very low88 Ų8897 Ų9757%0.57153%0.525SS*.PPolyproline II helixtrans-63.4137.6-175.424.2-34.4000112.8Q809P807-Q809 PolarHBondContact O-N 3.42Å
808A49.6Very low47.8Very low49 Ų4997.1 Ų97.141%0.40552%0.524SS..EExtended strand (participates in β ladder)trans-84.897.216400000108.8S788 V793 G810S788-A808 CarbonylContact O-C 3.58Å; S788-A808 WeakPolarHBondContact O-CA 3.42Å; V793-A808 HydrophobicContact CB-CB 4.37Å; V793-A808 HydrophobicContact CG1-CB 4.03Å; V793-A808 HydrophobicContact CG2-CB 4.5Å; A808-G810 PolarHBondContact O-N 2.82Å
809Q54Low47.2Very low114 Ų114103.3 Ų103.353%0.53355%0.551SS.*EExtended strand (participates in β ladder)trans-81.898.8178.8-74.6179.6-27.600109.9S788 Q789 A790 P807S788-Q809 PolarHBondContact O-N 3.24Å; Q789-Q809 WeakPolarHBondContact CA-O 3.38Å; Q789-Q809 HydrophobicContact CG-CB 3.93Å; A790-Q809 PolarHBondContact N-O 2.9Å; A790-Q809 VanDerWaalsContact N-O 3.13Å; P807-Q809 PolarHBondContact O-N 3.42Å
810G49.7Very low46.5Very low33 Ų33103.3 Ų103.334%0.3455%0.551SS.*  trans-151.3147.4-178.500000113.6A790 A808 K812A790-G810 WeakPolarHBondContact O-CA 3.5Å; A808-G810 PolarHBondContact O-N 2.82Å; G810-K812 PolarHBondContact O-N 3.44Å
811Q55.2Low45.7Very low141 Ų141105.9 Ų105.966%0.65957%0.568SS**THydrogen-bonded Turntrans-69.1-23-179.4-62.4-169.6-74.500112.8K791K791-Q811 PolarHBondContact O-N 2.91Å
812K46.4Very low44.9Very low154 Ų154103.9 Ų103.967%0.6757%0.572SS**EExtended strand (participates in β ladder)trans-144.886.5169.1-64.5-165.3178.8-1610109.7K791 K792 V793 G810K791-K812 PolarHBondContact O-N 3.14Å; K792-K812 WeakPolarHBondContact CA-O 3.48Å; K792-K812 HydrophobicContact CG-CB 4.08Å; V793-K812 PolarHBondContact N-O 3.3Å; G810-K812 PolarHBondContact O-N 3.44Å
813A46.6Very low44.2Very low56 Ų56102.9 Ų102.946%0.46357%0.568SS.*EExtended strand (participates in β ladder)trans-89.8136.4171.100000110.6V793V793-A813 HydrophobicContact CB-CB 4.29Å; V793-A813 CarbonylContact O-C 3.59Å; V793-A813 WeakPolarHBondContact O-CA 3.22Å
814S47Very low43.7Very low63 Ų63109 Ų10944%0.44159%0.591SS.*EExtended strand (participates in β ladder)trans-110.5116.6169.358.90000109.7V793 A795V793-S814 PolarHBondContact O-N 3.21Å; A795-S814 PolarHBondContact N-O 3.15Å; A795-S814 VanDerWaalsContact N-O 3.17Å
815M45.6Very low42.8Very low142 Ų142109.5 Ų109.570%0.760%0.598SS**  trans-96.399.9-170.3-168.8175.7-169.200110.5M805 Q817M805-M815 HydrophobicContact CE-CE 3.68Å; M815-Q817 PolarHBondContact O-N 2.66Å
816V42.9Very low42.4Very low88 Ų88107.6 Ų107.653%0.53360%0.603SS.*  trans-74.3113.3169.7-176.50000108.2A795 S818A795-V816 WeakPolarHBondContact O-CB 3.47Å; A795-V816 VanDerWaalsContact O-CG2 3.32Å; A795-V816 WeakPolarHBondContact O-CG2 3.22Å; V816-S818 PolarHBondContact O-N 2.87Å
817Q40.9Very low41.7Very low175 Ų175112.2 Ų112.282%0.81863%0.63SS**PPolyproline II helixtrans-61.5124.1177.4-71.9178.5-22.800110.1M815M815-Q817 PolarHBondContact O-N 2.66Å
818S37Very low41Very low48 Ų48112.9 Ų112.934%0.33664%0.644SS.*PPolyproline II helixtrans-83.1116.4171.4-61.40000108.5A797 N798 V816 E820A797-S818 WeakPolarHBondContact CA-OG 3.32Å; N798-S818 PolarHBondContact N-OG 3.07Å; N798-S818 VanDerWaalsContact N-OG 3.14Å; V816-S818 PolarHBondContact O-N 2.87Å; S818-E820 PolarHBondContact O-N 3.38Å
819Q36.7Very low40.6Very low190 Ų190120.5 Ų120.589%0.88867%0.668SS**PPolyproline II helixtrans-63.6118.7171.3-66.8-176.74.700109.2A821Q819-A821 PolarHBondContact O-N 3.5Å
820E34.7Very low39.6Very low126 Ų126124.8 Ų124.859%0.58968%0.684SS**  trans-78115.4177.8-164.6-178.9-152.200109.4S818 K823S818-E820 PolarHBondContact O-N 3.38Å; E820-K823 WeakPolarHBondContact OE1-CE 3.08Å; E820-K823 IonicContact OE1-NZ 2.72Å; E820-K823 PolarHBondContact OE1-NZ 3.38Å; E820-K823 IonicContact OE2-NZ 2.66Å; E820-K823 PolarHBondContact OE2-NZ 3.17Å
821A32.9Very low39.2Very low83 Ų83133.5 Ų133.569%0.68671%0.713SS**  trans-63.1131.5179.200000110.5Q819 K823Q819-A821 PolarHBondContact O-N 3.5Å; A821-K823 PolarHBondContact O-N 2.66Å
822P33.3Very low38.3Very low123 Ų123132.6 Ų132.680%0.79972%0.722SS**  trans-60.2137.7-165.419.8-32.1000113.4Q824P822-Q824 PolarHBondContact O-N 3.09Å; P822-Q824 VanDerWaalsContact O-N 3.17Å
823K34.7Very low37.9Very low129 Ų129129 Ų12956%0.56173%0.729SS**  trans-80.494.4-179.8-67.8154.1-176.8147.90109.1E820 A821 D825E820-K823 WeakPolarHBondContact OE1-CE 3.08Å; E820-K823 IonicContact OE1-NZ 2.72Å; E820-K823 PolarHBondContact OE1-NZ 3.38Å; E820-K823 IonicContact OE2-NZ 2.66Å; E820-K823 PolarHBondContact OE2-NZ 3.17Å; A821-K823 PolarHBondContact O-N 2.66Å; K823-D825 PolarHBondContact O-N 2.72Å; K823-D825 VanDerWaalsContact O-N 3.09Å
824Q34.3Very low37.7Very low184 Ų184132.2 Ų132.286%0.8675%0.748SS**  trans-7197.1162.4-76.8-176.1-30.200109.3P822P822-Q824 PolarHBondContact O-N 3.09Å; P822-Q824 VanDerWaalsContact O-N 3.17Å
825D32.9Very low37.4Very low154 Ų154141 Ų14182%0.82477%0.771SS**  trans-75.1142.1163.5-72.7-53.2000110K823K823-D825 PolarHBondContact O-N 2.72Å; K823-D825 VanDerWaalsContact O-N 3.09Å
826A35.2Very low37Very low91 Ų91143 Ų14375%0.75278%0.776SS**  trans-140.6143.5-179.900000110.5
827P35.3Very low36.9Very low125 Ų125148.2 Ų148.281%0.81279%0.792SS**  trans-82.6154.9-151.7-1633000115.2
828A36.7Very low37.1Very low103 Ų103143.4 Ų143.485%0.85179%0.789SS**  trans-69.4127.7178.600000112.5
829K40.1Very low37.3Very low209 Ų209150 Ų15091%0.90981%0.814SS**  trans-96.9114.8170.3-71.5-171175.1-176.40110.9
830K34.2Very low37.9Very low203 Ų203146.8 Ų146.888%0.88381%0.81SS**  trans-67.6142167.8-60.1176.7-178.7177.20110.1
831K41.1Very low38.8Very low216 Ų216147.5 Ų147.594%0.93982%0.823SS**  trans-162.1143.6142.5-114.6174.4-178-175.30110.4
832S35.9Very low39.1Very low123 Ų123153 Ų15386%0.8685%0.854SS**  trans-120170.9-173.149.80000111.2
833G38.8Very low39.3Very low79 Ų79154.5 Ų154.581%0.81486%0.857SS**  trans92.780.6161.800000116.6
834S41.1Very low39.6Very low122 Ų122155.8 Ų155.885%0.85387%0.873SS**  trans-91.6115.7156.1-1730000108.9
835R41.3Very low39.9Very low248 Ų248154.3 Ų154.394%0.93687%0.873SS**  trans-75.5174.6170.7-84.7-175.4170.3179.4-3.2111.3
836K37.8Very low40.3Very low184 Ų184154.3 Ų154.380%0.888%0.876SS**  trans-135.3133.6-149.6176.1-175.8-179.5-175.50111.4
837K40.9Very low40.6Very low197 Ų197158.3 Ų158.386%0.85788%0.884SS**  trans59128.2171.5-73.9-172.8169-166.80117.5
838G44.4Very low41Very low74 Ų74160.5 Ų160.576%0.76389%0.889SS**PPolyproline II helixtrans-100.4171146.800000109.9
839E42.1Very low41.3Very low186 Ų186164.6 Ų164.687%0.86989%0.891SS**PPolyproline II helixtrans-88.2162.8-167.8-74.5164.3116.500114.7
840P48.1Very low41.4Very low123 Ų123161.2 Ų161.280%0.79989%0.89SS**PPolyproline II helixtrans-73.4147.3165.432.9-34.5000111.1
841V53.7Low42Very low141 Ų141157.7 Ų157.786%0.85589%0.891SS**PPolyproline II helixtrans-100.3134.5168.9178.80000108.4
842C38.4Very low42Very low199 Ų199152.4 Ų152.4100%1.34589%0.886SS**  trans-105.80158.9-71.40000108.3

Retrieved 842 of 842 residues in 585.6 ms (Link to these results)