Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKLLKIMQELREKCPWDQEQTSMSLTKYAIEEAYEVEAAIRQG------------DINEIRNELGDLLLQVVFQSQMFSEQGAFNFQDVVEAISEKLVRRHPHVFQADQFNNLIPEQVSELWKQIKQQEKQGKPQSRLDEIKHGPALSQAQEIQKNVAKVGFDFETVEDAYTKLEEELDEFKQALKNQNSDEIQDEFGDCLFSLVNVGRKLGISSESSLLSTIHKFRSRFAFIEEQAIKQQRTLEDMTLSEMDELWNQAKRQLKSGEKPHAIQHEILEK 4QGP Chain:B ((15-112)) --ELLDILREFRDSRGWLKYHTPKNLAVSISIEVAELLEIFQWTRSSDEEFEVLERRKGEVEEEIADVLIYLLFLCDV----AEINPIEAVKRKMEKNERKYPK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QGP.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 : 179 -6556 -36.62 -76.23 target 2D structure prediction score : 0.93 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -36.62 2D Compatibility (Sec. Struct. Predict.) : 0.93 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_4QGP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QGP-query.scw PDB file : Tito_Scwrl_4QGP.pdb: