Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARLNVNPTRMELTRLKKQLTTATRGHKLLKDKQDELMRQFILLIRKNNQLRQEMEESMTEAMSDF----------VLANASITEPFIEELFVLPAENVDLSIVDKNIMSVKVPVMNFEYDEQLTDTPLEYGYLNSSAELDRSIDRFTTLLPKLLELTEIEKTCQLMASEIEKTRRRVNALEYMTIPQLEETIYYIRMKLEENERAEVTRLIKVKNMGTTD 3W3A Chain:G ((2-198)) ----QVSPTRMNLLQRRGQLRLAQKGVDLLKKKRDALVAEFFGLVREAMEARKALDQAAKEAYAALLLAQAFDGPEVVAGAALGVP--------PLEGVEAEV--ENVWGSKVPRLKATFPDGALLSPV--GTPAYTLEASRAFRRYAE---ALIRVANTETRLKKIGEEIKKTTRRVNALEQVVIPGIRAQIRFIQQVLEQREREDTFRLKRIKG-----

General information: TITO was launched using: RESULT: Template: 3W3A.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 537 27879 51.92 149.08 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain G : 0.74 3D Compatibility (PKB) : 51.92 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_3W3A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W3A-query.scw PDB file : Tito_Scwrl_3W3A.pdb: