Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDEFDLIHSITPRTIHHSSVDVGIGDDAALYTAKHGVQEIVCVDTMVEDVHFKLHYSSPEDIGYKALAVNISDIAAMGGIPKFYLVSLAVPS---KWTESEIKAMYEGMNELAKLYHMDLIGGDTVSTADKLVVTVTVIGEIEKGQACLRSLAKPNDIVFVTGEIGSSAAGLSLLLEETNPQNSSVETDYFIHRHKRPEPRVSVGRLCSIFKRAALNDVSDGLASELNEIAEASCVSIEIVESMLPIHSDLPKLHPNWK-EWALFGGEDFELTGTVSNEEWEVLKQECAALHLPITKIGYVREKTKSKVILKTDQTSMILEKKGYNHFK 5CC8 Chain:B ((11-306)) --EFSIIDQYFNRQ-SHPDVALGIGDDSALITPPPNQQLVICADTLVAGRHFPLE-TSPHAIGWKSVAVNLSDIAAMGAKPHSILLAISLPQVDHEWLEGFSQGIYDCCNQ----FGVALIGGDT-TQGPHLTITVTAMGWIETGKAVLRSGAKVGDYVCVSGQIGDAAYGLQHL-------GHSLQ-----QRLDYPTPRCKLGEELKGLA-SSMIDVSDGLAQDLGHILKASKVGARLILEKLPVDPVLQQIEEQQRWQYALAGGDDYELCFTITPQNYEKLLQK--QLDVKITMIGQIVEQT--KLTFEHLGSDYPLQI-------

General information: TITO was launched using: RESULT: Template: 5CC8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1653 -164467 -99.50 -563.24 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -99.50 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_5CC8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CC8-query.scw PDB file : Tito_Scwrl_5CC8.pdb: