Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKQYDSVECPFCDEVSKYEKLAKIGQGTFGEVFKARHRKTGQKVALKKVLMENEKEGFPITALREIKILQLLKHENVVNLIEICRTKASPYNRCKGSIYLVFDFCEHDLAGLLSNVLVKFTLSEIKRVMQMLLNGLYYIHRNKILHRDMKAANVLITRDGVLKLADFGLARAFSLAKNSQPNRYTNRVVTLWYRPPELLLGERDYGPPIDLWGAGCIMAEMWTRSPIMQGNTEQHQLALISQLCGSITPEVWPNVDNYELYEKLELVKGQKRKVKDRLKAYVRDPYALDLIDKLLVLDPAQRIDSDDALNHDFFWSDPMPSDLKGMLSTHLTSMFEYLAPPRRKGSQITQQSTNQSRNPATTNQTEFERVF |
1UA2 Chain:A ((13-305)) | -------------------EKLDFLGEGQFATVYKARDKNTNQIVAIKKI---------NRTALREIKLLQELSHPNIIGLLDAFGHK--------SNISLVFDFMETDLEVIIKDNSLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGS----PNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSF--PGIPLHHIFSAA--GDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTPGC----------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UA2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -161111 for 2284 contacts (-70.5/contact) +
2D Compatibility (PS) -29169 + (NN) -7199 + (LL) 5160
1D Compatibility (HY) -27200 + (ID) 5950
Total energy: -225469.0 ( -98.72 by residue)
QMean score : 0.375
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