Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MGVDVNVIFQIAGVGIVVAFLHTILDQMGKKEYAQWVTLLGFIYILFMVATIVDDLF--KKIKAVFLFQG--------------------------------------------------------------------------------------------------------------------- 4IMP Chain:A ((31-550)) SDPAAGWFWQAVARQDLKSVSDALDLDADAPLSATLPALSVWHRQERERVLADGWRYRVDWVRVAPQPVRRTRETWLLVVPPGGIEEALVERLTDALNTRGISTLRLDVPPAATSGELATELRAAADGDPVKAILSLTALDERPHPECKDVPSGIALLLNLVKALGEADLRIPLWTITRGAVKAGPADRLLRPMQAQAWGLGRVAALEHPERWGGLIDLPDSLDGDVLTRLGEALTNGLAEDQLAIRQSGVLARRLVPAPANQPAGRKWRPRGSALITGGLGAVGAQVARWLAEIGAERIVLTSRRGNQAAGAAELEAELRALGAQVSIVACDVTDRAEMSALLAEFDVTAVFHAAGVGRLLPLAET-----------DQNGLAEICAAKVRGAQVLDELCDSTDLDAFVLFSSGAGVWGGGGQGAYGAANAFLDTLAEQRRARGLPATSISWGSWAGGGMADGAAGEHLRRRGIRPMPAASAILALQEVLDQDETCVSIADVDWDRFVPTFAATRATRLFDEVPAARKAM

General information: TITO was launched using: RESULT: Template: 4IMP.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 : 113 -14258 -126.18 -250.14 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -126.18 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.613

(partial model without unconserved sides chains): PDB file : Tito_4IMP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IMP-query.scw PDB file : Tito_Scwrl_4IMP.pdb: