Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADKQISLPAKLINGGIAGLIGVTCVFPIDLAKTRLQNQQNG--------QRVYTSMSDCLIKTVRSEGYFGMYRGAAVNLTLVTPEKAIKLAANDFFRHQLSKDGQKLTLLKEMLAGCGAGTCQVIVTTPMEMLKIQLQDAGRIAAQRKILAAQGQLSAQGGAQPSVEAPAAPRPTATQLTRDLLRSRGIAGLYKGLGATLLRDVPFSVVYFPLFANLNQLGRPASEEKSPFYVSFLAGCVAGSAAAVAVNPCDVVKTRLQSLQRGVNEDTYSGILDCARKILRHEGPSAFLKGAYCRALVIAPLFGIAQVVYFLGIAESLLGLLQDPQA |
2LCK Chain:A ((14-303)) | --------TVKFLGAGTAACIADLITFPLDTAKVRLQIQGESQGLVRTAASAQYRGVLGTILTMVRTEGPRSLYNGLVAGLQRQMSFASVRIGLYDSVKQFYTKGSEHAGIGSRLLAGSTTGALAVAVAQPTDVVKVRFQAQARAGGG------------------------RRYQSTVEAYKTIAREEGIRGLWKGTSPNVARNAIVNCAELVTYDLIKDTLLKANLMTDDLPCHFTSAFGAGFCTTVIASPVDVVKTRYMNSALG----QYHSAGHCALTMLRKEGPRAFYKGFMPSFLRLGSWNVVMFVTYEQLKRALMAAYQSREAP |
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General information:
TITO was launched using:
| RESULT:
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Template: 2LCK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -51725 for 1585 contacts (-32.6/contact) +
2D Compatibility (PS) -29094 + (NN) -4681 + (LL) 2460
1D Compatibility (HY) -8400 + (ID) 3450
Total energy: -94890.0 ( -59.87 by residue)
QMean score : 0.120
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