Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MASVSFEQATRRYPGTDRPALDRLDLIVGDGEFVVLVGPSGCGKTTSLRMVAGLETLDCGRIRI-GERDV-TEVDPKDRDVAMVFQNYALYPH-----MTVAQNMGFALKVAKIGKAEIRERVLAAAKL--LDLQSYLDRKPKDLSGGQRQRVAMGRAIVRRPQVFLMDEPLSNLDAKLRGQTR-NQIAALQRQLGTTTVYVTHDQVEAMTMGDRVAVLSDGVLQQCASPRELYRNPGNVFVAGFIGSPAMNLFRLSIADSTVSLGDWQILLPRAVVGTAAEVIIGVRPEHLELGGAGIEMDVDMVEELGADAYLYGRIVSGGCEMDQSIVARVDGRGPPERGSRVRLCPTPGHLHFFAVDGRRIPG |
| 4HLU Chain:A ((21-216)) | ----------------EKKALENVSLVINEGECLLVAGNTGSGKSTLLQIVAGLIEPTSGDVLYDGERKKGYEIR---RNIGIAFQ----YPEDQFFAERVFDEVAFAVKNFYPDRDPV-PLVKKAMEFVGLDFDSFKDRVPFFLSGGEKRRVAIASVIVHEPDILILDEPLVGLDRE--GKTDLLRIVEKWKTLGKTVILISHDIETVINHVDRVVVLEKG------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4HLU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -70888 for 1398 contacts (-50.7/contact) +
2D Compatibility (PS) -20970 + (NN) -11298 + (LL) 9716
1D Compatibility (HY) -14400 + (ID) 3350
Total energy: -111190.0 ( -79.54 by residue)
QMean score : 0.433
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