Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFWKNKNVFVTGCTGLLGSYLVKELIEQGANVTGLVRDHVPQS-NLYQGEHIK---KMNIVRGSLEDLAVIERALGEYEIDTVFHLAAQAIVGVANRNPISTFEANILGTWNILEACRKHPLIKRVIVASSDKAYGD-QENLPYDENMPLQGKHPYDVSKSCADLISHTYFHTYGLPVCITRCGNLYGGGDLNFNRIIPQTIQLVLNGEAPEIRSDGTFVRDYFYIEDAVQAYLLLAEKMEENNLAGEAFNFSNEIQLTVLELVEKILKKMNSNLKPKVLNQGSNEIKHQY---LSAEKARKLLNWTPAYTIDEGLEKTIEWYTEFFKK 4EGB Chain:A ((26-334)) -------NILVTGGAGFIGSNFVHYMLQSYETYKIINFDALTYSGNLNNVKSIQDHPNYYFVKGEIQNGELLEHVIKERDVQVIVNFAAES---------IPFYDTNVIGTVTLLELVKKYPHIKLVQV-STDEVYGSLGKTGRFTEETPLAPNSPYSSSKASADMIALAYYKTYQLPVIVTRCSNNYGPYQYP-EKLIPLMVTNALEGKKLPLYGDGLNVRDWLHVTDHCSAIDVVLHKGR----VGEVYNIGGNNEKTNVEVVEQIITLLGKTKKD--IEYVTD--GHDRRYAINAEKMKNEFDWEPKYTFEQGLQETVQWY------

General information: TITO was launched using: RESULT: Template: 4EGB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1622 -159131 -98.11 -548.73 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -98.11 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_4EGB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EGB-query.scw PDB file : Tito_Scwrl_4EGB.pdb: