A0A3Q0KUZ7_SCHMA Loading...

Small nuclear ribonucleoprotein E

Plays a role in pre-mRNA splicing as a core component of the spliceosomal U1, U2, U4 and U5 small nuclear ribonucleoproteins (snRNPs), the building blocks of the spliceosome.

AlphaFold DB , UniProt , Accession A0A3Q0KUZ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 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
1M52.1Low59.1Low249 Ų249167.8 Ų167.8100%1.22787%0.873SS**  092.30-66.6174.2176.100108
2H47.6Very low61.5Low197 Ų197167.6 Ų167.691%0.91287%0.871SS**  trans-82.8113.8176.3-88.9145.5000108.9E4H2-E4 PolarHBondContact O-N 3.47Å
3R50.4Low63.6Low248 Ų248161.2 Ų161.294%0.93683%0.834SS**  trans-75.6105.6166-95.1178.7167.4160.8-3.5107.4G5R3-G5 PolarHBondContact O-N 3.2Å
4E53.1Low65.8Low189 Ų189155.1 Ų155.188%0.88381%0.81SS**  trans-57.3121.5164.4-71-178.3139.600108.4H2 G6H2-E4 PolarHBondContact O-N 3.47Å; E4-G6 PolarHBondContact O-N 3.31Å
5G52.4Low67.7Low77 Ų77151.9 Ų151.979%0.79480%0.802SS**  trans-60.2110.4178.600000109.6R3 R7R3-G5 PolarHBondContact O-N 3.2Å; G5-R7 PolarHBondContact O-N 3.16Å
6G52.3Low69.5Low68 Ų68148.7 Ų148.770%0.70178%0.784SS**  trans-53.9115.7173.100000109.3E4 S8E4-G6 PolarHBondContact O-N 3.31Å; G6-S8 PolarHBondContact O-N 3.26Å
7R61.8Low71Confident231 Ų231140.6 Ų140.687%0.87275%0.745SS**  trans-54.4107.4174.6-134.7175.9-173160.40.9107G5 H9G5-R7 PolarHBondContact O-N 3.16Å; R7-H9 PolarHBondContact O-N 3.03Å
8S65.3Low72.4Confident112 Ų112135.8 Ų135.878%0.78372%0.722SS**  trans-63.8104.1177.7-28.50000106.7G6 K10G6-S8 PolarHBondContact O-N 3.26Å; S8-K10 PolarHBondContact O-N 2.83Å
9H62.9Low73.7Confident183 Ų183129.1 Ų129.185%0.84769%0.686SS**  trans-61104.9171.8-83.1-98.7000106.8R7 A11R7-H9 PolarHBondContact O-N 3.03Å; H9-A11 PolarHBondContact O-N 2.97Å
10K73.1Confident74.9Confident196 Ų196128.2 Ų128.285%0.85267%0.674SS**PPolyproline II helixtrans-55.5118.2172.2-89.2-178.4175.8177.30106.9S8 I12S8-K10 PolarHBondContact O-N 2.83Å; K10-I12 PolarHBondContact O-N 2.81Å; K10-I12 VanDerWaalsContact O-N 3.14Å
11A79.4Confident75.9Confident96 Ų96124.3 Ų124.379%0.79365%0.654SS**PPolyproline II helixtrans-53.9122.6173.700000108.2H9 Q13H9-A11 PolarHBondContact O-N 2.97Å; A11-Q13 PolarHBondContact O-N 2.79Å
12I87.8Confident78Confident165 Ų165113.9 Ų113.985%0.84660%0.602SS**PPolyproline II helixtrans-66.8117.9175.8-63.8175.6000106.4K10K10-I12 PolarHBondContact O-N 2.81Å; K10-I12 VanDerWaalsContact O-N 3.14Å
13Q89.1Confident80.4Confident85 Ų85106.6 Ų106.640%0.39757%0.569SS.*PPolyproline II helixtrans-81126.8-179.1-166.8173.527.600109.5A11 G17 V18 N21A11-Q13 PolarHBondContact O-N 2.79Å; Q13-G17 VanDerWaalsContact CD-C 3.45Å; Q13-G17 PolarHBondContact NE2-O 2.85Å; Q13-V18 HydrophobicContact CG-CG2 4.37Å; Q13-N21 VanDerWaalsContact CD-ND2 3.3Å; Q13-N21 PolarHBondContact NE2-ND2 3.04Å; Q13-N21 PolarHBondContact OE1-ND2 3.39Å
14P93.9Very high82.6Confident76 Ų76100.3 Ų100.349%0.49455%0.55SS.*PPolyproline II helixtrans-64.6155.3173.428.5-35.1000110.4I16 G17 V18P14-I16 VanDerWaalsContact C-N 3.27Å; P14-I16 HydrophobicContact CB-CG2 4.25Å; P14-I16 HydrophobicContact CG-CG2 4.18Å; P14-I16 PolarHBondContact O-N 3.07Å; P14-G17 WeakPolarHBondContact O-CA 3.29Å; P14-G17 PolarHBondContact O-N 3.02Å; P14-V18 PolarHBondContact O-N 2.87Å
15P94.5Very high84.7Confident106 Ų10698.9 Ų98.969%0.68854%0.541SS*.Hα-helixtrans-54.9-39.9-176.9-27.935.3000113.8G17 V18 V19P15-G17 PolarHBondContact O-N 2.83Å; P15-V18 WeakPolarHBondContact O-CA 3.13Å; P15-V18 WeakPolarHBondContact O-CB 3.32Å; P15-V18 PolarHBondContact O-N 3.33Å; P15-V19 PolarHBondContact O-N 2.87Å; P15-V19 VanDerWaalsContact O-N 3.11Å
16I96.2Very high86.9Confident101 Ų101103 Ų10352%0.51854%0.537SS..Hα-helixtrans-59-35.1175-166.8170000112.1P14 V18 V19 Y20 F48P14-I16 VanDerWaalsContact C-N 3.27Å; P14-I16 HydrophobicContact CB-CG2 4.25Å; P14-I16 HydrophobicContact CG-CG2 4.18Å; P14-I16 PolarHBondContact O-N 3.07Å; I16-V18 VanDerWaalsContact C-N 3.3Å; I16-V18 PolarHBondContact O-N 2.82Å; I16-V19 PolarHBondContact O-N 3.49Å; I16-Y20 VanDerWaalsContact O-CB 3.3Å; I16-Y20 WeakPolarHBondContact O-CB 3.46Å; I16-Y20 PolarHBondContact O-N 3.23Å; I16-F48 HydrophobicContact CD1-CE2 4.03Å; I16-F48 HydrophobicContact CG1-CE2 3.73Å; I16-F48 HydrophobicContact CG1-CZ 4.12Å
17G95.6Very high89Confident12 Ų12100.6 Ų100.612%0.12451%0.511CS..Hα-helixtrans-66.5-32.9174.600000112.4Q13 P14 P15 N21Q13-G17 VanDerWaalsContact CD-C 3.45Å; Q13-G17 PolarHBondContact NE2-O 2.85Å; P14-G17 WeakPolarHBondContact O-CA 3.29Å; P14-G17 PolarHBondContact O-N 3.02Å; P15-G17 PolarHBondContact O-N 2.83Å; G17-N21 WeakPolarHBondContact O-CB 3.32Å; G17-N21 VanDerWaalsContact O-CG 3.29Å; G17-N21 PolarHBondContact O-N 2.8Å
18V95.7Very high90.7Very high54 Ų5493.1 Ų93.133%0.32748%0.483SS..Hα-helixtrans-67.8-45174.8-177.30000110.6Q13 P14 P15 I16 Y20 N21 F22Q13-V18 HydrophobicContact CG-CG2 4.37Å; P14-V18 PolarHBondContact O-N 2.87Å; P15-V18 WeakPolarHBondContact O-CA 3.13Å; P15-V18 WeakPolarHBondContact O-CB 3.32Å; P15-V18 PolarHBondContact O-N 3.33Å; I16-V18 VanDerWaalsContact C-N 3.3Å; I16-V18 PolarHBondContact O-N 2.82Å; V18-Y20 VanDerWaalsContact C-N 3.35Å; V18-N21 WeakPolarHBondContact O-CB 3.29Å; V18-N21 PolarHBondContact O-N 3.32Å; V18-F22 HydrophobicContact CG1-CE1 4.15Å; V18-F22 HydrophobicContact CG1-CE2 3.78Å; V18-F22 HydrophobicContact CG1-CZ 3.56Å; V18-F22 WeakPolarHBondContact O-CG 3.33Å; V18-F22 PolarHBondContact O-N 3.1Å
19V96.9Very high92.3Very high8 Ų887.8 Ų87.85%0.04845%0.445CS..Hα-helixtrans-62.8-43.4175.1-178.30000111P15 I16 N21 F22 L23 I45 F48 M52 L54P15-V19 PolarHBondContact O-N 2.87Å; P15-V19 VanDerWaalsContact O-N 3.11Å; I16-V19 PolarHBondContact O-N 3.49Å; V19-N21 VanDerWaalsContact C-N 3.3Å; V19-N21 PolarHBondContact O-N 3.32Å; V19-F22 WeakPolarHBondContact O-CB 3.19Å; V19-F22 PolarHBondContact O-N 3.18Å; V19-F22 VanDerWaalsContact O-N 3.11Å; V19-L23 PolarHBondContact O-N 3.29Å; V19-I45 HydrophobicContact CG1-CD1 4.31Å; V19-F48 HydrophobicContact CG1-CB 4.24Å; V19-F48 HydrophobicContact CG1-CD1 3.81Å; V19-F48 HydrophobicContact CG1-CD2 4.27Å; V19-F48 HydrophobicContact CG1-CE1 4.22Å; V19-F48 HydrophobicContact CG1-CG 3.84Å; V19-M52 HydrophobicContact CG2-CE 3.69Å; V19-M52 HydrophobicContact CG2-SD 4.05Å; V19-L54 HydrophobicContact CG1-CD2 4.35Å
20Y97.1Very high93.9Very high111 Ų11182 Ų8244%0.43542%0.416SS..Hα-helixtrans-60.3-39.9175.4-173.4-105.4000112I16 V18 F22 L23 Q24 F48I16-Y20 VanDerWaalsContact O-CB 3.3Å; I16-Y20 WeakPolarHBondContact O-CB 3.46Å; I16-Y20 PolarHBondContact O-N 3.23Å; V18-Y20 VanDerWaalsContact C-N 3.35Å; Y20-F22 VanDerWaalsContact C-N 3.35Å; Y20-F22 PolarHBondContact O-N 2.97Å; Y20-L23 HydrophobicContact CD2-CD2 4.45Å; Y20-L23 WeakPolarHBondContact O-CB 3.35Å; Y20-L23 PolarHBondContact O-N 2.87Å; Y20-Q24 HydrophobicContact CD1-CG 4.07Å; Y20-Q24 HydrophobicContact CE1-CG 3.68Å; Y20-Q24 HydrophobicContact CE2-CG 4.36Å; Y20-Q24 WeakPolarHBondContact O-CG 3.35Å; Y20-Q24 PolarHBondContact O-N 2.85Å; Y20-Q24 PolarHBondContact OH-NE2 3.17Å; Y20-F48 HydrophobicContact CD2-CE1 4.26Å; Y20-F48 HydrophobicContact CD2-CZ 4.4Å
21N96.2Very high95.1Very high47 Ų4772.7 Ų72.725%0.25138%0.376SS..Hα-helixtrans-62.2-39.7173.4-82.7-9.4000112.5Q13 G17 V18 V19 K25Q13-N21 VanDerWaalsContact CD-ND2 3.3Å; Q13-N21 PolarHBondContact NE2-ND2 3.04Å; Q13-N21 PolarHBondContact OE1-ND2 3.39Å; G17-N21 WeakPolarHBondContact O-CB 3.32Å; G17-N21 VanDerWaalsContact O-CG 3.29Å; G17-N21 PolarHBondContact O-N 2.8Å; V18-N21 WeakPolarHBondContact O-CB 3.29Å; V18-N21 PolarHBondContact O-N 3.32Å; V19-N21 VanDerWaalsContact C-N 3.3Å; V19-N21 PolarHBondContact O-N 3.32Å; N21-K25 WeakPolarHBondContact O-CB 3.43Å; N21-K25 VanDerWaalsContact O-CG 3.32Å; N21-K25 WeakPolarHBondContact O-CG 3.42Å; N21-K25 PolarHBondContact O-N 3.47Å
22F97.3Very high96Very high30 Ų3072.6 Ų72.613%0.13236%0.355CS..Hα-helixtrans-64.1-43.5175-61.3-28.9000111.7V18 V19 Y20 K26 A27 V29 I45 V85 V87V18-F22 HydrophobicContact CG1-CE1 4.15Å; V18-F22 HydrophobicContact CG1-CE2 3.78Å; V18-F22 HydrophobicContact CG1-CZ 3.56Å; V18-F22 WeakPolarHBondContact O-CG 3.33Å; V18-F22 PolarHBondContact O-N 3.1Å; V19-F22 WeakPolarHBondContact O-CB 3.19Å; V19-F22 PolarHBondContact O-N 3.18Å; V19-F22 VanDerWaalsContact O-N 3.11Å; Y20-F22 VanDerWaalsContact C-N 3.35Å; Y20-F22 PolarHBondContact O-N 2.97Å; F22-K26 PolarHBondContact O-N 2.96Å; F22-A27 HydrophobicContact CB-CB 4.39Å; F22-A27 HydrophobicContact CD1-CB 4.4Å; F22-A27 PolarHBondContact O-N 2.92Å; F22-V29 HydrophobicContact CB-CG1 4Å; F22-V29 HydrophobicContact CD2-CG1 3.91Å; F22-V29 HydrophobicContact CG-CG1 3.95Å; F22-I45 HydrophobicContact CB-CD1 3.99Å; F22-I45 HydrophobicContact CD2-CD1 4.34Å; F22-V85 HydrophobicContact CD2-CG1 4.12Å; F22-V85 HydrophobicContact CE2-CG1 4.01Å; F22-V87 HydrophobicContact CD1-CG2 4.09Å; F22-V87 HydrophobicContact CE1-CG2 3.5Å; F22-V87 VanDerWaalsContact CE1-CG2 3.5Å; F22-V87 HydrophobicContact CZ-CG2 4.12Å
23L97.6Very high96.5Very high44 Ų4465.4 Ų65.423%0.2332%0.318CS..Hα-helixtrans-59.3-53.3175174.566000111.5V19 Y20 K25 K26 I45 F48V19-L23 PolarHBondContact O-N 3.29Å; Y20-L23 HydrophobicContact CD2-CD2 4.45Å; Y20-L23 WeakPolarHBondContact O-CB 3.35Å; Y20-L23 PolarHBondContact O-N 2.87Å; L23-K25 VanDerWaalsContact C-N 3.35Å; L23-K25 PolarHBondContact O-N 2.96Å; L23-K26 PolarHBondContact O-N 3.33Å; L23-K26 VanDerWaalsContact O-N 3.1Å; L23-I45 HydrophobicContact CB-CG2 4.34Å; L23-I45 HydrophobicContact CD1-CG2 4.23Å; L23-I45 VanDerWaalsContact CD1-O 3.23Å; L23-I45 WeakPolarHBondContact CD1-O 3.34Å; L23-F48 HydrophobicContact CD2-CD1 4.05Å; L23-F48 HydrophobicContact CD2-CE1 3.83Å
24Q97.6Very high96.9Very high115 Ų11568.1 Ų68.154%0.53733%0.326SS..Hα-helixtrans-60.8-42.2-178.2-76.5-163.9-30.900112.7Y20 K26Y20-Q24 HydrophobicContact CD1-CG 4.07Å; Y20-Q24 HydrophobicContact CE1-CG 3.68Å; Y20-Q24 HydrophobicContact CE2-CG 4.36Å; Y20-Q24 WeakPolarHBondContact O-CG 3.35Å; Y20-Q24 PolarHBondContact O-N 2.85Å; Y20-Q24 PolarHBondContact OH-NE2 3.17Å; Q24-K26 PolarHBondContact O-N 3.07Å
25K97.1Very high96.9Very high160 Ų16072 Ų7270%0.69634%0.337SS*.THydrogen-bonded Turntrans-77.1-3.4-180-68.2179.4178.9-178.40113.2N21 L23 A27N21-K25 WeakPolarHBondContact O-CB 3.43Å; N21-K25 VanDerWaalsContact O-CG 3.32Å; N21-K25 WeakPolarHBondContact O-CG 3.42Å; N21-K25 PolarHBondContact O-N 3.47Å; L23-K25 VanDerWaalsContact C-N 3.35Å; L23-K25 PolarHBondContact O-N 2.96Å; K25-A27 HydrophobicContact CB-CB 4.4Å; K25-A27 PolarHBondContact O-N 3.35Å; K25-A27 VanDerWaalsContact O-N 3.16Å
26K97.1Very high96.8Very high162 Ų16271.9 Ų71.970%0.70433%0.328SS*.THydrogen-bonded Turntrans48.138.8-168.8-60-179.3179178.90111.1F22 L23 Q24 R28 V44F22-K26 PolarHBondContact O-N 2.96Å; L23-K26 PolarHBondContact O-N 3.33Å; L23-K26 VanDerWaalsContact O-N 3.1Å; Q24-K26 PolarHBondContact O-N 3.07Å; K26-R28 PolarHBondContact O-N 3.49Å; K26-V44 HydrophobicContact CB-CG1 4.04Å
27A97Very high96.7Very high19 Ų1971.6 Ų71.616%0.15733%0.333CS..  trans-67.6134.4-176.800000109.2F22 K25 V29F22-A27 HydrophobicContact CB-CB 4.39Å; F22-A27 HydrophobicContact CD1-CB 4.4Å; F22-A27 PolarHBondContact O-N 2.92Å; K25-A27 HydrophobicContact CB-CB 4.4Å; K25-A27 PolarHBondContact O-N 3.35Å; K25-A27 VanDerWaalsContact O-N 3.16Å; A27-V29 PolarHBondContact O-N 2.8Å
28R97.7Very high96.7Very high73 Ų7374.7 Ų74.728%0.27535%0.347SS..EExtended strand (participates in β ladder)trans-71.1123.3167.4-165.1172.3-17479.66.5107.7K26 E42 G43 V44 D58 C60 A88K26-R28 PolarHBondContact O-N 3.49Å; R28-E42 PolarHBondContact NH2-O 2.9Å; R28-G43 CarbonylContact C-O 3.42Å; R28-G43 WeakPolarHBondContact CA-O 3.46Å; R28-V44 HydrophobicContact CB-CG2 4.45Å; R28-D58 PolarHBondContact NH1-O 3.12Å; R28-D58 PolarHBondContact NH2-O 3.3Å; R28-C60 PolarHBondContact NH2-SG 2.81Å; R28-A88 HydrophobicContact CB-CB 4.37Å; R28-A88 HydrophobicContact CG-CB 4.16Å; R28-A88 PolarHBondContact O-N 2.79Å
29V98.2Very high96.8Very high0 Ų073.3 Ų73.30%034%0.337CS..EExtended strand (participates in β ladder)trans-108.3152.4179.1-60.90000110.3F22 A27 V31 E42 G43 I45 L56 V85 Q86F22-V29 HydrophobicContact CB-CG1 4Å; F22-V29 HydrophobicContact CD2-CG1 3.91Å; F22-V29 HydrophobicContact CG-CG1 3.95Å; A27-V29 PolarHBondContact O-N 2.8Å; V29-V31 HydrophobicContact CG2-CG2 4.26Å; V29-E42 CarbonylContact O-C 3.52Å; V29-E42 WeakPolarHBondContact O-CA 3.43Å; V29-G43 WeakPolarHBondContact CG2-O 3.22Å; V29-G43 PolarHBondContact N-O 3.23Å; V29-G43 PolarHBondContact O-N 3.47Å; V29-I45 HydrophobicContact CG1-CD1 3.94Å; V29-I45 HydrophobicContact CG1-CG1 4.24Å; V29-I45 HydrophobicContact CG2-CD1 3.96Å; V29-I45 HydrophobicContact CG2-CG1 3.68Å; V29-L56 HydrophobicContact CG2-CD2 4.19Å; V29-V85 HydrophobicContact CB-CG1 3.98Å; V29-V85 HydrophobicContact CG1-CG1 4.15Å; V29-V85 HydrophobicContact CG2-CG1 4.29Å; V29-Q86 CarbonylContact C-O 3.57Å; V29-Q86 WeakPolarHBondContact CA-O 3.23Å; V29-Q86 WeakPolarHBondContact CB-O 3.22Å
30R98Very high96.8Very high62 Ų6273.5 Ų73.523%0.23434%0.338CS..EExtended strand (participates in β ladder)trans-110.1123.3165.8-174.9-178.6-58.7152.95.7108.4R40 I41 E42 Q86 A88R30-R40 HydrophobicContact CG-CB 3.82Å; R30-R40 HydrophobicContact CG-CG 4.18Å; R30-I41 CarbonylContact C-O 3.54Å; R30-I41 WeakPolarHBondContact CA-O 3.49Å; R30-E42 HydrophobicContact CB-CG 3.97Å; R30-E42 HydrophobicContact CG-CG 3.9Å; R30-E42 IonicContact CZ-OE1 3.23Å; R30-E42 VanDerWaalsContact CZ-OE1 3.23Å; R30-E42 IonicContact NE-OE1 2.75Å; R30-E42 PolarHBondContact NE-OE1 3.02Å; R30-E42 IonicContact NH2-OE1 2.83Å; R30-E42 PolarHBondContact NH2-OE1 3.06Å; R30-Q86 HydrophobicContact CB-CG 4Å; R30-Q86 PolarHBondContact N-O 3.24Å; R30-Q86 PolarHBondContact O-N 3Å; R30-A88 HydrophobicContact CB-CB 4.24Å
31V98Very high96.8Very high0 Ų068.6 Ų68.60%032%0.319CS..EExtended strand (participates in β ladder)trans-103125.9177.6-172.90000109.4V29 R40 I41 L54 L77 I82 L84 V85V29-V31 HydrophobicContact CG2-CG2 4.26Å; V31-R40 WeakPolarHBondContact O-CA 3.46Å; V31-R40 WeakPolarHBondContact O-CD 3.47Å; V31-I41 HydrophobicContact CB-CB 4.36Å; V31-I41 PolarHBondContact N-O 2.76Å; V31-I41 PolarHBondContact O-N 2.83Å; V31-I41 VanDerWaalsContact O-N 3.09Å; V31-L54 HydrophobicContact CG2-CD1 4.25Å; V31-L77 HydrophobicContact CB-CD2 3.98Å; V31-L77 HydrophobicContact CG1-CD2 3.61Å; V31-L77 HydrophobicContact CG2-CD2 4.07Å; V31-I82 HydrophobicContact CG1-CB 4.32Å; V31-I82 HydrophobicContact CG1-CD1 4.47Å; V31-I82 HydrophobicContact CG1-CG1 3.96Å; V31-I82 HydrophobicContact CG1-CG2 3.92Å; V31-L84 CarbonylContact C-O 3.59Å; V31-L84 WeakPolarHBondContact CA-O 3.23Å; V31-V85 HydrophobicContact CG1-CG2 4.48Å; V31-V85 HydrophobicContact CG2-CG2 4.38Å
32W97.9Very high96.9Very high95 Ų9566.9 Ų66.936%0.3631%0.309SS..EExtended strand (participates in β ladder)trans-85.2128.1170.8-6846.5000108.4R40 T83 L84W32-R40 VanDerWaalsContact CD2-NE 3.27Å; W32-R40 VanDerWaalsContact CD2-NH2 3.32Å; W32-R40 VanDerWaalsContact CG-NE 3.29Å; W32-T83 PolarHBondContact O-N 2.8Å; W32-L84 HydrophobicContact CB-CB 3.97Å; W32-L84 HydrophobicContact CD2-CD2 4.29Å; W32-L84 HydrophobicContact CG-CB 4Å; W32-L84 HydrophobicContact CG-CD2 4.02Å; W32-L84 PolarHBondContact N-O 3.45Å
33L97.7Very high97Very high13 Ų1365.5 Ų65.57%0.06830%0.303CS..EExtended strand (participates in β ladder)trans-91140.5-178.9-61-179.5000110.4Q36 L39 I41 L77 T81L33-Q36 HydrophobicContact CB-CB 3.91Å; L33-Q36 PolarHBondContact O-N 2.88Å; L33-L39 HydrophobicContact CD1-CB 4.36Å; L33-L39 HydrophobicContact CD1-CD2 3.9Å; L33-L39 HydrophobicContact CD1-CG 4.22Å; L33-I41 HydrophobicContact CD1-CD1 4.35Å; L33-I41 HydrophobicContact CD1-CG1 4Å; L33-I41 HydrophobicContact CD2-CG1 3.97Å; L33-I41 HydrophobicContact CG-CG1 4.25Å; L33-L77 HydrophobicContact CD2-CD1 4.04Å; L33-L77 HydrophobicContact CD2-CD2 4.43Å; L33-T81 CarbonylContact C-O 3.47Å; L33-T81 VanDerWaalsContact CA-O 3.23Å; L33-T81 WeakPolarHBondContact CA-O 3.32Å
34Y97Very high97Very high143 Ų14364.7 Ų64.756%0.56130%0.3SS*.SBendtrans-59.3133.8172.6-171.3-105.9000109.8Q36 T81 T83Y34-Q36 PolarHBondContact O-N 3.09Å; Y34-T81 PolarHBondContact N-O 2.93Å; Y34-T83 VanDerWaalsContact CA-OG1 3.25Å; Y34-T83 WeakPolarHBondContact CA-OG1 3.33Å; Y34-T83 PolarHBondContact N-OG1 2.78Å
35E94.2Very high97.1Very high158 Ų15859.3 Ų59.374%0.73828%0.275SS*.SBendtrans58.2-7.6-177.9-67.4176.4169.700117.1
36Q93.6Very high97.1Very high103 Ų10355.2 Ų55.248%0.48126%0.26SS..  trans-10773.5-179.3-67.6179.3-37.100111.4L33 Y34 N38 L39 R40L33-Q36 HydrophobicContact CB-CB 3.91Å; L33-Q36 PolarHBondContact O-N 2.88Å; Y34-Q36 PolarHBondContact O-N 3.09Å; Q36-N38 PolarHBondContact O-N 2.74Å; Q36-L39 HydrophobicContact CB-CB 4.35Å; Q36-L39 PolarHBondContact O-N 3.36Å; Q36-L39 VanDerWaalsContact O-O 3.1Å; Q36-R40 PolarHBondContact O-NH1 3.11Å
37C93.7Very high97.2Very high94 Ų9448.5 Ų48.564%0.63524%0.236SC*.THydrogen-bonded Turntrans-61.7-27.4-177.2-64.70000114.6R40C37-R40 PolarHBondContact O-NH1 2.75Å; C37-R40 PolarHBondContact O-NH2 3.4Å
38N95.4Very high97.2Very high77 Ų7750.3 Ų50.341%0.41224%0.241SC..THydrogen-bonded Turntrans-90.5-7.9-176.1-63.1-41.4000113.9Q36 H63 M64 K65Q36-N38 PolarHBondContact O-N 2.74Å; N38-H63 CarbonylContact O-C 3.57Å; N38-H63 WeakPolarHBondContact O-CA 3.3Å; N38-M64 PolarHBondContact O-N 2.88Å; N38-K65 VanDerWaalsContact OD1-CE 3.22Å; N38-K65 WeakPolarHBondContact OD1-CE 3.46Å
39L96.9Very high97.2Very high25 Ų2549.2 Ų49.213%0.13124%0.24CC..EExtended strand (participates in β ladder)trans-117.9136.3-176.4-163.668.5000109.8L33 Q36 E61 R62L33-L39 HydrophobicContact CD1-CB 4.36Å; L33-L39 HydrophobicContact CD1-CD2 3.9Å; L33-L39 HydrophobicContact CD1-CG 4.22Å; Q36-L39 HydrophobicContact CB-CB 4.35Å; Q36-L39 PolarHBondContact O-N 3.36Å; Q36-L39 VanDerWaalsContact O-O 3.1Å; L39-E61 HydrophobicContact CD1-CB 3.95Å; L39-R62 WeakPolarHBondContact CA-O 3.39Å
40R97.5Very high97.1Very high13 Ų1356.6 Ų56.65%0.04928%0.275CS..EExtended strand (participates in β ladder)trans-129.8145.2172-60.6-67.1177.4-103.62.6109.2R30 V31 W32 Q36 C37 E61 R62 M64R30-R40 HydrophobicContact CG-CB 3.82Å; R30-R40 HydrophobicContact CG-CG 4.18Å; V31-R40 WeakPolarHBondContact O-CA 3.46Å; V31-R40 WeakPolarHBondContact O-CD 3.47Å; W32-R40 VanDerWaalsContact CD2-NE 3.27Å; W32-R40 VanDerWaalsContact CD2-NH2 3.32Å; W32-R40 VanDerWaalsContact CG-NE 3.29Å; Q36-R40 PolarHBondContact O-NH1 3.11Å; C37-R40 PolarHBondContact O-NH1 2.75Å; C37-R40 PolarHBondContact O-NH2 3.4Å; R40-E61 CarbonylContact O-C 3.58Å; R40-E61 WeakPolarHBondContact O-CA 3.41Å; R40-R62 HydrophobicContact CB-CB 4.25Å; R40-R62 PolarHBondContact N-O 3.36Å; R40-R62 PolarHBondContact O-N 3.11Å; R40-M64 HydrophobicContact CB-SD 4.32Å; R40-M64 HydrophobicContact CG-CG 3.88Å; R40-M64 HydrophobicContact CG-SD 3.51Å; R40-M64 VanDerWaalsContact CG-SD 3.51Å
41I98.1Very high97Very high8 Ų861.6 Ų61.64%0.04130%0.295CS..EExtended strand (participates in β ladder)trans-100124.6170.5-57.2-58.9000107.7R30 V31 L33 L56 E61 L72 I75R30-I41 CarbonylContact C-O 3.54Å; R30-I41 WeakPolarHBondContact CA-O 3.49Å; V31-I41 HydrophobicContact CB-CB 4.36Å; V31-I41 PolarHBondContact N-O 2.76Å; V31-I41 PolarHBondContact O-N 2.83Å; V31-I41 VanDerWaalsContact O-N 3.09Å; L33-I41 HydrophobicContact CD1-CD1 4.35Å; L33-I41 HydrophobicContact CD1-CG1 4Å; L33-I41 HydrophobicContact CD2-CG1 3.97Å; L33-I41 HydrophobicContact CG-CG1 4.25Å; I41-L56 HydrophobicContact CG2-CD1 3.58Å; I41-E61 HydrophobicContact CD1-CB 4.45Å; I41-E61 HydrophobicContact CD1-CG 3.76Å; I41-L72 HydrophobicContact CD1-CD1 4.16Å; I41-I75 HydrophobicContact CG2-CD1 3.96Å
42E98.2Very high97Very high11 Ų1164.9 Ų64.95%0.05131%0.311CS..EExtended strand (participates in β ladder)trans-113.4134.1172.1-67.3-177159.600110.1R28 V29 R30 A59 C60 R62R28-E42 PolarHBondContact NH2-O 2.9Å; V29-E42 CarbonylContact O-C 3.52Å; V29-E42 WeakPolarHBondContact O-CA 3.43Å; R30-E42 HydrophobicContact CB-CG 3.97Å; R30-E42 HydrophobicContact CG-CG 3.9Å; R30-E42 IonicContact CZ-OE1 3.23Å; R30-E42 VanDerWaalsContact CZ-OE1 3.23Å; R30-E42 IonicContact NE-OE1 2.75Å; R30-E42 PolarHBondContact NE-OE1 3.02Å; R30-E42 IonicContact NH2-OE1 2.83Å; R30-E42 PolarHBondContact NH2-OE1 3.06Å; E42-A59 CarbonylContact O-C 3.56Å; E42-A59 WeakPolarHBondContact O-CA 3.43Å; E42-C60 PolarHBondContact N-O 3.19Å; E42-C60 PolarHBondContact O-N 2.81Å; E42-R62 HydrophobicContact CG-CG 4.12Å; E42-R62 WeakPolarHBondContact OE2-CG 3.4Å; E42-R62 IonicContact OE2-NE 3.33Å; E42-R62 PolarHBondContact OE2-NE 2.96Å
43G98.1Very high97Very high0 Ų061.4 Ų61.40%030%0.3CS..EExtended strand (participates in β ladder)trans-171.3178.8-179.900000112R28 V29 A57R28-G43 CarbonylContact C-O 3.42Å; R28-G43 WeakPolarHBondContact CA-O 3.46Å; V29-G43 WeakPolarHBondContact CG2-O 3.22Å; V29-G43 PolarHBondContact N-O 3.23Å; V29-G43 PolarHBondContact O-N 3.47Å; G43-A57 WeakPolarHBondContact CA-O 3.2Å
44V98.4Very high97.1Very high27 Ų2760.8 Ų60.816%0.16430%0.296CS..EExtended strand (participates in β ladder)trans-102.4124.5174.4178.60000108.5K26 R28 I46 L56 A57K26-V44 HydrophobicContact CB-CG1 4.04Å; R28-V44 HydrophobicContact CB-CG2 4.45Å; V44-I46 PolarHBondContact O-N 2.89Å; V44-L56 CarbonylContact O-C 3.45Å; V44-L56 VanDerWaalsContact O-CA 3.32Å; V44-L56 WeakPolarHBondContact O-CA 3.27Å; V44-A57 PolarHBondContact N-O 2.98Å; V44-A57 PolarHBondContact O-N 3.11Å
45I98.4Very high97.1Very high2 Ų256.2 Ų56.21%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-67.9124.5176.5-55.4176.1000108.4V19 F22 L23 V29 L54 L56V19-I45 HydrophobicContact CG1-CD1 4.31Å; F22-I45 HydrophobicContact CB-CD1 3.99Å; F22-I45 HydrophobicContact CD2-CD1 4.34Å; L23-I45 HydrophobicContact CB-CG2 4.34Å; L23-I45 HydrophobicContact CD1-CG2 4.23Å; L23-I45 VanDerWaalsContact CD1-O 3.23Å; L23-I45 WeakPolarHBondContact CD1-O 3.34Å; V29-I45 HydrophobicContact CG1-CD1 3.94Å; V29-I45 HydrophobicContact CG1-CG1 4.24Å; V29-I45 HydrophobicContact CG2-CD1 3.96Å; V29-I45 HydrophobicContact CG2-CG1 3.68Å; I45-L54 HydrophobicContact CD1-CD1 4.32Å; I45-L54 HydrophobicContact CD1-CD2 4.48Å; I45-L56 HydrophobicContact CB-CD2 4.34Å; I45-L56 HydrophobicContact CG1-CD2 3.68Å
46I98.3Very high97.3Very high75 Ų7548.7 Ų48.739%0.38525%0.248SC..EExtended strand (participates in β ladder)trans-116.4-7174.561.6165.1000112.9V44 V55 A57 R74V44-I46 PolarHBondContact O-N 2.89Å; I46-V55 HydrophobicContact CD1-CB 4.49Å; I46-V55 HydrophobicContact CD1-CG1 3.63Å; I46-V55 HydrophobicContact CG1-CB 3.87Å; I46-V55 HydrophobicContact CG1-CG1 3.54Å; I46-V55 WeakPolarHBondContact CG1-O 3.23Å; I46-V55 PolarHBondContact N-O 2.86Å; I46-A57 HydrophobicContact CD1-CB 4.29Å; I46-A57 HydrophobicContact CG2-CB 3.73Å; I46-R74 HydrophobicContact CD1-CG 4.41Å
47G98.2Very high97.6Very high20 Ų2044.5 Ų44.521%0.20623%0.231CC..EExtended strand (participates in β ladder)trans-172.5156.3173.500000111V55G47-V55 PolarHBondContact O-N 3.33Å
48F98.1Very high97.7Very high58 Ų5845.6 Ų45.625%0.25423%0.23SC..EExtended strand (participates in β ladder)trans-149.5163.9172.668.8-86.1000110.1I16 V19 Y20 L23 N53 L54I16-F48 HydrophobicContact CD1-CE2 4.03Å; I16-F48 HydrophobicContact CG1-CE2 3.73Å; I16-F48 HydrophobicContact CG1-CZ 4.12Å; V19-F48 HydrophobicContact CG1-CB 4.24Å; V19-F48 HydrophobicContact CG1-CD1 3.81Å; V19-F48 HydrophobicContact CG1-CD2 4.27Å; V19-F48 HydrophobicContact CG1-CE1 4.22Å; V19-F48 HydrophobicContact CG1-CG 3.84Å; Y20-F48 HydrophobicContact CD2-CE1 4.26Å; Y20-F48 HydrophobicContact CD2-CZ 4.4Å; L23-F48 HydrophobicContact CD2-CD1 4.05Å; L23-F48 HydrophobicContact CD2-CE1 3.83Å; F48-N53 VanDerWaalsContact CA-O 3.22Å; F48-N53 WeakPolarHBondContact CA-O 3.43Å; F48-L54 HydrophobicContact CB-CD2 3.67Å
49D97.2Very high97.9Very high50 Ų5042 Ų4227%0.26721%0.212SC..  trans-127.3-177.5177.46913.3000112.2Y51 M52 N53D49-Y51 PolarHBondContact O-N 2.89Å; D49-Y51 WeakPolarHBondContact OD1-CA 3.49Å; D49-Y51 PolarHBondContact OD1-N 2.9Å; D49-M52 PolarHBondContact O-N 2.87Å; D49-M52 VanDerWaalsContact O-N 3.12Å; D49-M52 PolarHBondContact OD1-N 2.92Å; D49-M52 VanDerWaalsContact OD1-N 3.11Å; D49-N53 PolarHBondContact N-O 2.75Å; D49-N53 WeakPolarHBondContact OD1-CB 3.19Å; D49-N53 PolarHBondContact OD1-N 3.23Å; D49-N53 PolarHBondContact OD1-ND2 2.89Å; D49-N53 WeakPolarHBondContact OD2-CB 3.45Å; D49-N53 PolarHBondContact OD2-ND2 3.04Å
50E96.3Very high97.9Very high154 Ų15440.9 Ų40.972%0.7221%0.206SC*.THydrogen-bonded Turntrans-64.9-20.6179.565.6-88.1-155.300114.1M52E50-M52 VanDerWaalsContact C-N 3.31Å
51Y96.8Very high97.9Very high168 Ų16842.2 Ų42.266%0.65921%0.213SC*.THydrogen-bonded Turntrans-91.24.2176.5-56.4-73000112.5D49 N53 G79D49-Y51 PolarHBondContact O-N 2.89Å; D49-Y51 WeakPolarHBondContact OD1-CA 3.49Å; D49-Y51 PolarHBondContact OD1-N 2.9Å; Y51-N53 PolarHBondContact O-N 3.32Å; Y51-G79 WeakPolarHBondContact O-CA 3.39Å
52M97.3Very high97.9Very high68 Ų6845.8 Ų45.834%0.33523%0.226SC..  trans60.925.3-173.4-65.9-78.7-63.700113.4V19 D49 E50 L54 G79 I82V19-M52 HydrophobicContact CG2-CE 3.69Å; V19-M52 HydrophobicContact CG2-SD 4.05Å; D49-M52 PolarHBondContact O-N 2.87Å; D49-M52 VanDerWaalsContact O-N 3.12Å; D49-M52 PolarHBondContact OD1-N 2.92Å; D49-M52 VanDerWaalsContact OD1-N 3.11Å; E50-M52 VanDerWaalsContact C-N 3.31Å; M52-L54 PolarHBondContact O-N 3.37Å; M52-G79 WeakPolarHBondContact O-CA 3.48Å; M52-I82 VanDerWaalsContact O-CD1 3.23Å; M52-I82 WeakPolarHBondContact O-CD1 3.45Å
53N98.1Very high97.8Very high23 Ų2349 Ų4912%0.12324%0.241CC..  trans-65135.4163.6-58.6-51.9000108.2F48 D49 Y51 L76 L77 K78 G79F48-N53 VanDerWaalsContact CA-O 3.22Å; F48-N53 WeakPolarHBondContact CA-O 3.43Å; D49-N53 PolarHBondContact N-O 2.75Å; D49-N53 WeakPolarHBondContact OD1-CB 3.19Å; D49-N53 PolarHBondContact OD1-N 3.23Å; D49-N53 PolarHBondContact OD1-ND2 2.89Å; D49-N53 WeakPolarHBondContact OD2-CB 3.45Å; D49-N53 PolarHBondContact OD2-ND2 3.04Å; Y51-N53 PolarHBondContact O-N 3.32Å; N53-L76 HydrophobicContact CB-CD1 4.14Å; N53-L77 CarbonylContact C-O 3.58Å; N53-L77 VanDerWaalsContact CA-O 3.25Å; N53-L77 WeakPolarHBondContact CA-O 3.27Å; N53-K78 VanDerWaalsContact OD1-CA 3.27Å; N53-K78 WeakPolarHBondContact OD1-CA 3.44Å; N53-G79 PolarHBondContact OD1-N 3.47Å
54L98.4Very high97.6Very high0 Ų053.7 Ų53.70%026%0.264CS..EExtended strand (participates in β ladder)trans-115.1126.3-177.1-57.7-178.6000110.3V19 V31 I45 F48 M52 L56 L76 L77 I82 V85V19-L54 HydrophobicContact CG1-CD2 4.35Å; V31-L54 HydrophobicContact CG2-CD1 4.25Å; I45-L54 HydrophobicContact CD1-CD1 4.32Å; I45-L54 HydrophobicContact CD1-CD2 4.48Å; F48-L54 HydrophobicContact CB-CD2 3.67Å; M52-L54 PolarHBondContact O-N 3.37Å; L54-L56 HydrophobicContact CB-CD2 4.16Å; L54-L56 HydrophobicContact CB-CG 4.27Å; L54-L76 WeakPolarHBondContact O-CA 3.35Å; L54-L77 HydrophobicContact CB-CB 4.45Å; L54-L77 PolarHBondContact N-O 3.02Å; L54-L77 PolarHBondContact O-N 2.86Å; L54-I82 HydrophobicContact CD1-CD1 3.71Å; L54-I82 HydrophobicContact CG-CD1 3.81Å; L54-V85 HydrophobicContact CD1-CG2 4.28Å
55V98.5Very high97.4Very high46 Ų4660.5 Ų60.528%0.27929%0.291SS..EExtended strand (participates in β ladder)trans-86.6115.8164.7-170.10000107.5I46 G47 R74 I75 L76I46-V55 HydrophobicContact CD1-CB 4.49Å; I46-V55 HydrophobicContact CD1-CG1 3.63Å; I46-V55 HydrophobicContact CG1-CB 3.87Å; I46-V55 HydrophobicContact CG1-CG1 3.54Å; I46-V55 WeakPolarHBondContact CG1-O 3.23Å; I46-V55 PolarHBondContact N-O 2.86Å; G47-V55 PolarHBondContact O-N 3.33Å; V55-R74 HydrophobicContact CG1-CG 4.39Å; V55-I75 WeakPolarHBondContact CA-O 3.32Å; V55-L76 HydrophobicContact CG2-CD1 3.77Å
56L98.5Very high97.2Very high0 Ų064.6 Ų64.60%032%0.32CS..EExtended strand (participates in β ladder)trans-109.5129.6-179.2-60.3178.8000110.5V29 I41 V44 I45 L54 A59 R74 I75 L77V29-L56 HydrophobicContact CG2-CD2 4.19Å; I41-L56 HydrophobicContact CG2-CD1 3.58Å; V44-L56 CarbonylContact O-C 3.45Å; V44-L56 VanDerWaalsContact O-CA 3.32Å; V44-L56 WeakPolarHBondContact O-CA 3.27Å; I45-L56 HydrophobicContact CB-CD2 4.34Å; I45-L56 HydrophobicContact CG1-CD2 3.68Å; L54-L56 HydrophobicContact CB-CD2 4.16Å; L54-L56 HydrophobicContact CB-CG 4.27Å; L56-A59 HydrophobicContact CB-CB 4.08Å; L56-R74 VanDerWaalsContact O-CA 3.32Å; L56-R74 WeakPolarHBondContact O-CA 3.47Å; L56-I75 HydrophobicContact CB-CG1 4.06Å; L56-I75 HydrophobicContact CD1-CD1 4.45Å; L56-I75 PolarHBondContact N-O 2.66Å; L56-I75 PolarHBondContact O-N 3.48Å; L56-L77 HydrophobicContact CD1-CD2 4.39Å
57A98.4Very high97Very high16 Ų1663.3 Ų63.313%0.13233%0.325CS..EExtended strand (participates in β ladder)trans-92.8155.8165.300000110.9G43 V44 I46 A59G43-A57 WeakPolarHBondContact CA-O 3.2Å; V44-A57 PolarHBondContact N-O 2.98Å; V44-A57 PolarHBondContact O-N 3.11Å; I46-A57 HydrophobicContact CD1-CB 4.29Å; I46-A57 HydrophobicContact CG2-CB 3.73Å; A57-A59 PolarHBondContact O-N 3.28Å; A57-A59 VanDerWaalsContact O-N 3.07Å
58D97.5Very high96.9Very high116 Ų11664.6 Ų64.662%0.6233%0.334SS*.EExtended strand (participates in β ladder)trans4738.9-178.8-55.2-38.6000113R28 G73R28-D58 PolarHBondContact NH1-O 3.12Å; R28-D58 PolarHBondContact NH2-O 3.3Å; D58-G73 PolarHBondContact N-O 3.06Å
59A98.4Very high96.8Very high2 Ų267.5 Ų67.52%0.01735%0.347CS..EExtended strand (participates in β ladder)trans-70143-176.500000110.3E42 L56 A57 L72 G73 I75E42-A59 CarbonylContact O-C 3.56Å; E42-A59 WeakPolarHBondContact O-CA 3.43Å; L56-A59 HydrophobicContact CB-CB 4.08Å; A57-A59 PolarHBondContact O-N 3.28Å; A57-A59 VanDerWaalsContact O-N 3.07Å; A59-L72 HydrophobicContact CB-CB 4.18Å; A59-L72 PolarHBondContact O-N 2.91Å; A59-G73 VanDerWaalsContact CB-O 3.29Å; A59-G73 WeakPolarHBondContact CB-O 3.4Å; A59-G73 PolarHBondContact N-O 2.84Å; A59-G73 PolarHBondContact O-N 2.9Å; A59-I75 HydrophobicContact CB-CD1 3.77Å; A59-I75 HydrophobicContact CB-CG1 3.75Å; A59-I75 HydrophobicContact CB-CG2 4.5Å
60C98Very high96.8Very high2 Ų270.7 Ų70.71%0.01436%0.358CS..EExtended strand (participates in β ladder)trans-144.7146.8170.563.90000111.4R28 E42 K69 K70R28-C60 PolarHBondContact NH2-SG 2.81Å; E42-C60 PolarHBondContact N-O 3.19Å; E42-C60 PolarHBondContact O-N 2.81Å; C60-K69 HydrophobicContact CB-CD 4.49Å; C60-K69 HydrophobicContact CB-CG 3.93Å; C60-K69 WeakPolarHBondContact SG-CE 3.23Å; C60-K70 CarbonylContact C-O 3.46Å; C60-K70 WeakPolarHBondContact CA-O 3.43Å; C60-K70 VanDerWaalsContact CB-O 3.29Å; C60-K70 WeakPolarHBondContact CB-O 3.44Å
61E97.5Very high96.9Very high41 Ų4168.5 Ų68.519%0.19236%0.357CS..EExtended strand (participates in β ladder)trans-79.3136.6166.1-55.5178.3167.900109.4L39 R40 I41 K69 K70 L72L39-E61 HydrophobicContact CD1-CB 3.95Å; R40-E61 CarbonylContact O-C 3.58Å; R40-E61 WeakPolarHBondContact O-CA 3.41Å; I41-E61 HydrophobicContact CD1-CB 4.45Å; I41-E61 HydrophobicContact CD1-CG 3.76Å; E61-K69 WeakPolarHBondContact O-CA 3.33Å; E61-K70 HydrophobicContact CB-CB 4.22Å; E61-K70 PolarHBondContact N-O 3.05Å; E61-K70 PolarHBondContact O-N 3.14Å; E61-K70 WeakPolarHBondContact OE2-CD 3.44Å; E61-L72 HydrophobicContact CG-CD1 3.61Å; E61-L72 HydrophobicContact CG-CD2 4.06Å; E61-L72 HydrophobicContact CG-CG 3.94Å
62R96.8Very high97Very high82 Ų8263.2 Ų63.231%0.30934%0.34SS..EExtended strand (participates in β ladder)trans-116.5117.4172.2-81.3-68.2-161.6-168.64.7109.1L39 R40 E42L39-R62 WeakPolarHBondContact CA-O 3.39Å; R40-R62 HydrophobicContact CB-CB 4.25Å; R40-R62 PolarHBondContact N-O 3.36Å; R40-R62 PolarHBondContact O-N 3.11Å; E42-R62 HydrophobicContact CG-CG 4.12Å; E42-R62 WeakPolarHBondContact OE2-CG 3.4Å; E42-R62 IonicContact OE2-NE 3.33Å; E42-R62 PolarHBondContact OE2-NE 2.96Å
63H96.5Very high97Very high79 Ų7961.6 Ų61.637%0.36634%0.341SS..EExtended strand (participates in β ladder)trans-82.6116.3168.2-77.5-94.4000109.7N38 K65 S66 G67 A68N38-H63 CarbonylContact O-C 3.57Å; N38-H63 WeakPolarHBondContact O-CA 3.3Å; H63-K65 VanDerWaalsContact C-N 3.3Å; H63-K65 PolarHBondContact O-N 3.27Å; H63-S66 VanDerWaalsContact CB-OG 3.23Å; H63-S66 WeakPolarHBondContact CB-OG 3.37Å; H63-G67 VanDerWaalsContact O-CA 3.27Å; H63-G67 WeakPolarHBondContact O-CA 3.42Å; H63-G67 PolarHBondContact O-N 3.46Å; H63-A68 HydrophobicContact CB-CB 4.28Å; H63-A68 PolarHBondContact N-O 3.19Å
64M93.9Very high97Very high98 Ų9869.6 Ų69.648%0.48337%0.369SS..THydrogen-bonded Turntrans-68.7-27.5-174.8-62.7-57.1-62.400113.2N38 R40N38-M64 PolarHBondContact O-N 2.88Å; R40-M64 HydrophobicContact CB-SD 4.32Å; R40-M64 HydrophobicContact CG-CG 3.88Å; R40-M64 HydrophobicContact CG-SD 3.51Å; R40-M64 VanDerWaalsContact CG-SD 3.51Å
65K94.3Very high97Very high170 Ų17071.4 Ų71.474%0.73938%0.379SS*.THydrogen-bonded Turntrans-83.1-44.6179.8-70.6-175.9173.5-179.40113.3N38 H63N38-K65 VanDerWaalsContact OD1-CE 3.22Å; N38-K65 WeakPolarHBondContact OD1-CE 3.46Å; H63-K65 VanDerWaalsContact C-N 3.3Å; H63-K65 PolarHBondContact O-N 3.27Å
66S95.1Very high97Very high88 Ų8873.9 Ų73.962%0.61539%0.39SS*.THydrogen-bonded Turntrans-95.1-14-175.9610000113.8H63 A68H63-S66 VanDerWaalsContact CB-OG 3.23Å; H63-S66 WeakPolarHBondContact CB-OG 3.37Å; S66-A68 PolarHBondContact O-N 3.29Å; S66-A68 WeakPolarHBondContact OG-CB 3.25Å; S66-A68 PolarHBondContact OG-N 2.84Å
67G92.8Very high97Very high48 Ų4874.8 Ų74.850%0.49539%0.394SS..  trans71.6-1.5-170.700000114.1H63 K69H63-G67 VanDerWaalsContact O-CA 3.27Å; H63-G67 WeakPolarHBondContact O-CA 3.42Å; H63-G67 PolarHBondContact O-N 3.46Å; G67-K69 PolarHBondContact O-N 3.18Å
68A95.7Very high97Very high48 Ų4879 Ų7940%0.39741%0.41SS..  trans-58.3138.8-177.800000111.1H63 S66H63-A68 HydrophobicContact CB-CB 4.28Å; H63-A68 PolarHBondContact N-O 3.19Å; S66-A68 PolarHBondContact O-N 3.29Å; S66-A68 WeakPolarHBondContact OG-CB 3.25Å; S66-A68 PolarHBondContact OG-N 2.84Å
69K96.9Very high97Very high119 Ų11974.1 Ų74.152%0.51739%0.386SS..EExtended strand (participates in β ladder)trans-116.5124.2178.9-167.7-176.5179-175.30109C60 E61 G67C60-K69 HydrophobicContact CB-CD 4.49Å; C60-K69 HydrophobicContact CB-CG 3.93Å; C60-K69 WeakPolarHBondContact SG-CE 3.23Å; E61-K69 WeakPolarHBondContact O-CA 3.33Å; G67-K69 PolarHBondContact O-N 3.18Å
70K97.7Very high97Very high117 Ų11781.8 Ų81.851%0.50942%0.422SS..EExtended strand (participates in β ladder)trans-115.8115.2173.6-174.6-176.2172.8-166.80109.7C60 E61C60-K70 CarbonylContact C-O 3.46Å; C60-K70 WeakPolarHBondContact CA-O 3.43Å; C60-K70 VanDerWaalsContact CB-O 3.29Å; C60-K70 WeakPolarHBondContact CB-O 3.44Å; E61-K70 HydrophobicContact CB-CB 4.22Å; E61-K70 PolarHBondContact N-O 3.05Å; E61-K70 PolarHBondContact O-N 3.14Å; E61-K70 WeakPolarHBondContact OE2-CD 3.44Å
71P98Very high96.9Very high108 Ų10884 Ų8470%0.70144%0.435SS*.EExtended strand (participates in β ladder)trans-68.2138.5176.528.4-32.7000110.7
72L98.1Very high96.9Very high57 Ų5783.5 Ų83.530%0.29843%0.434SS..EExtended strand (participates in β ladder)trans-115.9-21.6176.4-61.5-179.5000112.5I41 A59 E61 I75I41-L72 HydrophobicContact CD1-CD1 4.16Å; A59-L72 HydrophobicContact CB-CB 4.18Å; A59-L72 PolarHBondContact O-N 2.91Å; E61-L72 HydrophobicContact CG-CD1 3.61Å; E61-L72 HydrophobicContact CG-CD2 4.06Å; E61-L72 HydrophobicContact CG-CG 3.94Å; L72-I75 HydrophobicContact CB-CG2 3.8Å; L72-I75 HydrophobicContact CD1-CD1 3.88Å; L72-I75 HydrophobicContact CD1-CG2 4.37Å
73G98.2Very high97Very high34 Ų3483.5 Ų83.535%0.35144%0.443SS..EExtended strand (participates in β ladder)trans79.6-126.5-177.400000111.8D58 A59D58-G73 PolarHBondContact N-O 3.06Å; A59-G73 VanDerWaalsContact CB-O 3.29Å; A59-G73 WeakPolarHBondContact CB-O 3.4Å; A59-G73 PolarHBondContact N-O 2.84Å; A59-G73 PolarHBondContact O-N 2.9Å
74R98.5Very high97Very high191 Ų19183.4 Ų83.472%0.72145%0.445SS*.EExtended strand (participates in β ladder)trans-98.7123.8178.1-174.2178.7-66.7174.80.9110.2I46 V55 L56I46-R74 HydrophobicContact CD1-CG 4.41Å; V55-R74 HydrophobicContact CG1-CG 4.39Å; L56-R74 VanDerWaalsContact O-CA 3.32Å; L56-R74 WeakPolarHBondContact O-CA 3.47Å
75I98.6Very high97.2Very high38 Ų3880.3 Ų80.320%0.19543%0.432CS..EExtended strand (participates in β ladder)trans-132.8158.6-178.367.6173.5000111.7I41 V55 L56 A59 L72I41-I75 HydrophobicContact CG2-CD1 3.96Å; V55-I75 WeakPolarHBondContact CA-O 3.32Å; L56-I75 HydrophobicContact CB-CG1 4.06Å; L56-I75 HydrophobicContact CD1-CD1 4.45Å; L56-I75 PolarHBondContact N-O 2.66Å; L56-I75 PolarHBondContact O-N 3.48Å; A59-I75 HydrophobicContact CB-CD1 3.77Å; A59-I75 HydrophobicContact CB-CG1 3.75Å; A59-I75 HydrophobicContact CB-CG2 4.5Å; L72-I75 HydrophobicContact CB-CG2 3.8Å; L72-I75 HydrophobicContact CD1-CD1 3.88Å; L72-I75 HydrophobicContact CD1-CG2 4.37Å
76L98.4Very high97.3Very high98 Ų9875.2 Ų75.251%0.51341%0.41SS..EExtended strand (participates in β ladder)trans-103.2114.5161.9-179.575000108.1N53 L54 V55N53-L76 HydrophobicContact CB-CD1 4.14Å; L54-L76 WeakPolarHBondContact O-CA 3.35Å; V55-L76 HydrophobicContact CG2-CD1 3.77Å
77L98.1Very high97.4Very high19 Ų1974.2 Ų74.210%0.09940%0.4CS..EExtended strand (participates in β ladder)trans-91.9128.8173.7-177.164.5000109.6V31 L33 N53 L54 L56 T81 I82V31-L77 HydrophobicContact CB-CD2 3.98Å; V31-L77 HydrophobicContact CG1-CD2 3.61Å; V31-L77 HydrophobicContact CG2-CD2 4.07Å; L33-L77 HydrophobicContact CD2-CD1 4.04Å; L33-L77 HydrophobicContact CD2-CD2 4.43Å; N53-L77 CarbonylContact C-O 3.58Å; N53-L77 VanDerWaalsContact CA-O 3.25Å; N53-L77 WeakPolarHBondContact CA-O 3.27Å; L54-L77 HydrophobicContact CB-CB 4.45Å; L54-L77 PolarHBondContact N-O 3.02Å; L54-L77 PolarHBondContact O-N 2.86Å; L56-L77 HydrophobicContact CD1-CD2 4.39Å; L77-T81 WeakPolarHBondContact CD1-OG1 3.49Å; L77-I82 HydrophobicContact CD2-CD1 4.24Å; L77-I82 HydrophobicContact CD2-CG1 4.09Å; L77-I82 HydrophobicContact CG-CG1 4.39Å
78K98.2Very high97.3Very high104 Ų10472.7 Ų72.745%0.45238%0.383SS..  trans-75.3132-179.2-67.9-68-172.8174.10111.6N53 E80 T81N53-K78 VanDerWaalsContact OD1-CA 3.27Å; N53-K78 WeakPolarHBondContact OD1-CA 3.44Å; K78-E80 VanDerWaalsContact C-N 3.27Å; K78-E80 HydrophobicContact CB-CG 4.19Å; K78-E80 PolarHBondContact O-N 3.18Å; K78-T81 HydrophobicContact CB-CG2 4.25Å; K78-T81 WeakPolarHBondContact O-CB 3.25Å; K78-T81 PolarHBondContact O-N 3.04Å; K78-T81 PolarHBondContact O-OG1 2.94Å
79G97.8Very high96.5Very high13 Ų1380.6 Ų80.613%0.13442%0.419CS..G310 helixtrans-59.6-33-176.100000114.2Y51 M52 N53 T81 I82Y51-G79 WeakPolarHBondContact O-CA 3.39Å; M52-G79 WeakPolarHBondContact O-CA 3.48Å; N53-G79 PolarHBondContact OD1-N 3.47Å; G79-T81 PolarHBondContact O-N 3.19Å; G79-I82 WeakPolarHBondContact O-CB 3.5Å; G79-I82 PolarHBondContact O-N 3.26Å
80E97.4Very high96.5Very high164 Ų16478.7 Ų78.777%0.76641%0.414SS*.G310 helixtrans-61.3-23.6175.470.6-166.4164.900113.7K78 I82K78-E80 VanDerWaalsContact C-N 3.27Å; K78-E80 HydrophobicContact CB-CG 4.19Å; K78-E80 PolarHBondContact O-N 3.18Å; E80-I82 VanDerWaalsContact C-N 3.32Å
81T96.9Very high96.4Very high47 Ų4776.7 Ų76.729%0.28841%0.409SS..G310 helixtrans-85.4-6.3178.569.70000112.6L33 Y34 L77 K78 G79L33-T81 CarbonylContact C-O 3.47Å; L33-T81 VanDerWaalsContact CA-O 3.23Å; L33-T81 WeakPolarHBondContact CA-O 3.32Å; Y34-T81 PolarHBondContact N-O 2.93Å; L77-T81 WeakPolarHBondContact CD1-OG1 3.49Å; K78-T81 HydrophobicContact CB-CG2 4.25Å; K78-T81 WeakPolarHBondContact O-CB 3.25Å; K78-T81 PolarHBondContact O-N 3.04Å; K78-T81 PolarHBondContact O-OG1 2.94Å; G79-T81 PolarHBondContact O-N 3.19Å
82I97.7Very high96.3Very high32 Ų3274.9 Ų74.916%0.16439%0.393CS..EExtended strand (participates in β ladder)trans-90.7120.6-171.5-58.1-177.8000110.6V31 M52 L54 L77 G79 E80 V85V31-I82 HydrophobicContact CG1-CB 4.32Å; V31-I82 HydrophobicContact CG1-CD1 4.47Å; V31-I82 HydrophobicContact CG1-CG1 3.96Å; V31-I82 HydrophobicContact CG1-CG2 3.92Å; M52-I82 VanDerWaalsContact O-CD1 3.23Å; M52-I82 WeakPolarHBondContact O-CD1 3.45Å; L54-I82 HydrophobicContact CD1-CD1 3.71Å; L54-I82 HydrophobicContact CG-CD1 3.81Å; L77-I82 HydrophobicContact CD2-CD1 4.24Å; L77-I82 HydrophobicContact CD2-CG1 4.09Å; L77-I82 HydrophobicContact CG-CG1 4.39Å; G79-I82 WeakPolarHBondContact O-CB 3.5Å; G79-I82 PolarHBondContact O-N 3.26Å; E80-I82 VanDerWaalsContact C-N 3.32Å; I82-V85 HydrophobicContact CG2-CG2 3.63Å
83T97.7Very high96.2Very high82 Ų8276 Ų7650%0.50340%0.398SS..EExtended strand (participates in β ladder)trans-95.4-44.1170.3-59.60000112.2W32 Y34W32-T83 PolarHBondContact O-N 2.8Å; Y34-T83 VanDerWaalsContact CA-OG1 3.25Å; Y34-T83 WeakPolarHBondContact CA-OG1 3.33Å; Y34-T83 PolarHBondContact N-OG1 2.78Å
84L97.3Very high96.1Very high76 Ų7678.6 Ų78.640%0.39840%0.401SS..EExtended strand (participates in β ladder)trans-153.4136.6-176.6-179.9130.5000110.4V31 W32 Q86V31-L84 CarbonylContact C-O 3.59Å; V31-L84 WeakPolarHBondContact CA-O 3.23Å; W32-L84 HydrophobicContact CB-CB 3.97Å; W32-L84 HydrophobicContact CD2-CD2 4.29Å; W32-L84 HydrophobicContact CG-CB 4Å; W32-L84 HydrophobicContact CG-CD2 4.02Å; W32-L84 PolarHBondContact N-O 3.45Å; L84-Q86 HydrophobicContact CD2-CB 3.84Å; L84-Q86 HydrophobicContact CD2-CG 3.9Å
85V97.5Very high95.9Very high34 Ų3471.1 Ų71.121%0.20638%0.38CS..EExtended strand (participates in β ladder)trans-113.5121.6171.7-174.10000108.1F22 V29 V31 L54 I82F22-V85 HydrophobicContact CD2-CG1 4.12Å; F22-V85 HydrophobicContact CE2-CG1 4.01Å; V29-V85 HydrophobicContact CB-CG1 3.98Å; V29-V85 HydrophobicContact CG1-CG1 4.15Å; V29-V85 HydrophobicContact CG2-CG1 4.29Å; V31-V85 HydrophobicContact CG1-CG2 4.48Å; V31-V85 HydrophobicContact CG2-CG2 4.38Å; L54-V85 HydrophobicContact CD1-CG2 4.28Å; I82-V85 HydrophobicContact CG2-CG2 3.63Å
86Q96.6Very high95.7Very high62 Ų6273.5 Ų73.529%0.2939%0.393SS..EExtended strand (participates in β ladder)trans-131.6160.5177.163.8-179.712.600110.9V29 R30 L84 A88V29-Q86 CarbonylContact C-O 3.57Å; V29-Q86 WeakPolarHBondContact CA-O 3.23Å; V29-Q86 WeakPolarHBondContact CB-O 3.22Å; R30-Q86 HydrophobicContact CB-CG 4Å; R30-Q86 PolarHBondContact N-O 3.24Å; R30-Q86 PolarHBondContact O-N 3Å; L84-Q86 HydrophobicContact CD2-CB 3.84Å; L84-Q86 HydrophobicContact CD2-CG 3.9Å; Q86-A88 PolarHBondContact O-N 2.82Å
87V96.7Very high95.5Very high68 Ų6871.6 Ų71.641%0.41238%0.384SS..EExtended strand (participates in β ladder)trans-64.6134.8169.5-179.40000108.9F22 N89F22-V87 HydrophobicContact CD1-CG2 4.09Å; F22-V87 HydrophobicContact CE1-CG2 3.5Å; F22-V87 VanDerWaalsContact CE1-CG2 3.5Å; F22-V87 HydrophobicContact CZ-CG2 4.12Å; V87-N89 PolarHBondContact O-N 3.25Å
88A91.4Very high95.3Very high16 Ų1676 Ų7613%0.13241%0.408CS..  trans-84.2107.9169.600000107.6R28 R30 Q86R28-A88 HydrophobicContact CB-CB 4.37Å; R28-A88 HydrophobicContact CG-CB 4.16Å; R28-A88 PolarHBondContact O-N 2.79Å; R30-A88 HydrophobicContact CB-CB 4.24Å; Q86-A88 PolarHBondContact O-N 2.82Å
89N78.7Confident95.1Very high214 Ų21473.5 Ų73.5100%1.14440%0.403SS*.  trans-68.60171.5-63.8-10.6000111.3V87V87-N89 PolarHBondContact O-N 3.25Å

Retrieved 89 of 89 residues in 22.9 ms (Link to these results)

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