Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQSLDKNFRHLSRQQKLQQLVDKQWLSEDQFDILLNHPLIDEEVANSLIENVIAQGALPVGLLPNIIVDDKAYVVPMMVEEPSVVAAASYGAKLVNQTGGFKTVSSERIMIGQIVFDGVDDTEKLSADIKALEKQIHKIADEAYPSIKARGGGYQRIAIDTFPE-QQLLSLKVFVDTKDAMGANMLNTILEAITAFLKNESPQSDILMSILSNHATASVVKVQGEIDVKDLARGERTGEEVAKRMERASVLAQVDIHRAATHNKGVMNGIHAVVLATGNDTRGAEASAHAYASRDGQYRGIATWRYDQ-KRQRLIGTIEVPMTLAIVGGGTKVLPIAKASLELLNVDSAQELGHVVAAVGLAQNFAACRALVSEGIQQGHMSLQYKSLAIVVGAKGDEIAQVAEALKQEPRANTQVAERILQEIRQQ |
3QAE Chain:A ((37-406)) | --ISWNGFSKKSYQERLELLKAQALLSPERQASLEKDEQMSVTVADQLSENVVGTFSLPYSLVPEVLVNGQEYTVPYVTEEPSVVAAASYASKIIKRAGGFTTQVHQRQMIGQVALYQVANPKLAQEKIASKKAELLELANQAYPSIVKRGGGARDLHVEQIKGEPDFLVVYIHVDTQEAMGANMLNTMLEALKPVLEELSQGQS-LMGILSNYATDSLVTASCRIAFRYLSRQKDQGREIAEKIALASQFAQADPYRAATHNKGIFNGIDAILIATGNDWRAIEAGAHAFASRDGRYQGLSCWTLDLERE-ELVGEMTLPMPVATKGSSIGLNPRVALSHDLLGNPSARELAQIIVSIGLAQNFAALKALVST----------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QAE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -210188 for 3091 contacts (-68.0/contact) +
2D Compatibility (PS) -40409 + (NN) -21640 + (LL) 5600
1D Compatibility (HY) -27200 + (ID) 7600
Total energy: -301437.0 ( -97.52 by residue)
QMean score : 0.548
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