Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQSLDKNFRHLSRQQKLQQLVDKQWLSEDQFDILLNHPLIDEEVANSLIENVIAQGALPVGLLPNIIVDDKAYVVPMMVEEPSVVAAASYGAKLVNQTGGFKTVSSERIMIGQIVFDGVDDTEKLSADIKALEKQIHKIADEAYPSIKARGGGYQRIAIDTFP-EQQLLSLKVFVDTKDAMGANMLNTILEAITAFLKNESPQSDILMSILSNHATASVVKVQGEIDVKDLARGERTGEEVAKRMERASVLAQVDIHRAATHNKGVMNGIHAVVLATGNDTRGAEASAHAYASRDGQYRGIATWRYDQKRQRLIGTIEVPMTLAIVGGGTKVLPIAKASLELLNVDSAQELGHVVAAVGLAQNFAACRALVSEGIQQGHMSLQYKSLAIVVGAKGDEIAQVAEALKQEPRANTQVAERILQEIRQQ |
3QAE Chain:A ((42-406)) | -------FSKKSYQERLELLKAQALLSPERQASLEKDEQMSVTVADQLSENVVGTFSLPYSLVPEVLVNGQEYTVPYVTEEPSVVAAASYASKIIKRAGGFTTQVHQRQMIGQVALYQVANPKLAQEKIASKKAELLELANQAYPSIVKRGGGARDLHVEQIKGEPDFLVVYIHVDTQEAMGANMLNTMLEALKPVLE-ELSQGQSLMGILSNYATDSLVTASCRIAFRYLSRQKDQGREIAEKIALASQFAQADPYRAATHNKGIFNGIDAILIATGNDWRAIEAGAHAFASRDGRYQGLSCWTLDLEREELVGEMTLPMPVATKGSSIGLNPRVALSHDLLGNPSARELAQIIVSIGLAQNFAALKALVST----------------------------------------------------- |
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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) -228127 for 3052 contacts (-74.7/contact) +
2D Compatibility (PS) -39891 + (NN) -21425 + (LL) 5252
1D Compatibility (HY) -27200 + (ID) 7750
Total energy: -319141.0 ( -104.57 by residue)
QMean score : 0.563
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