Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKTIAINAGSSSLKWQLYEMPEEKVVAK-GIIERIGLKDSISTVKFDDKKDEQILDIVDHTQAVKILLEDLTKHGIIKDFNEITGVGHRVVAGGEYFKESALVDDKVVEQVEELSALAPLHNPAAAAGIRAFREILPDITSVCVFDTAFHTTMQPHTYLYPIPQKYYTDYKVRKYGAHGTSHQYVAQEAAKQLGRPLEELKLITAHVGNGVSITANYHGQSIDTSMGFTPLAGPMMGTRSGDIDPAIIPYLVANDSELEDAAAVVNMLNKQSGLLGVSGTSSDMRDIEAGLQSKDPNAVLAYNVFIDRIKKFIGQYLAVLNGADAIIFTAGMGENAPLMRQDVIAGLSWFGIELDPEKNVFGYFG--DITKPDSKVKVLVIPTDEELMIARDVERLKAK |
3R9P Chain:A ((13-388)) | --RVLVINSGSSSLKFQLVD-PEFGVAASTGIVERIG---------------EESSPVPDHDAALRRAFDMLAGDGVDLNTAGLVAVGHRVVHGGNTFYRPTVLDDAVIARLHELSELAPLHNPPALQGIEVARRLLPDIAHVAVFDTGFFHDLPPAAATYAIDRELADRWQIRRYGFHGTSHRYVSEQAAAFLDRPLRGLKQIVLHLGNGCSASAIAGTRPLDTSMGLTPLEGLVMGTRSGDIDPSIVSYLCHTAGMGVD--DVESMLNHRSGVVGLSGV-RDFRRLRELIESGDGAAQLAYSVFTHRLRKYIGAYLAVLGHTDVISFTAGIGENDAAVRRDAVSGMEELGIVLDERRNLAGGKGARQISADDSPITVLVVPTNEELAIARDCVRVLGG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R9P.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187623 for 3105 contacts (-60.4/contact) +
2D Compatibility (PS) -40293 + (NN) -17250 + (LL) 1300
1D Compatibility (HY) -29600 + (ID) 8800
Total energy: -282266.0 ( -90.91 by residue)
QMean score : 0.538
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