Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKGGLDMLNLTHVTLKTRQVILQDADFTFKKGRIYGLLAINGSGKTTLFRAMSKLLPLSSGHIAVPPSLFYYESVEWLDGNLSGMDYLRLI------KNI-WKSDLNLRDEIA----YWEMADY-ISLPI----------RKYSLGMKQRLVIAMYFLSQAKCWLMDEITNGLDEYYRQKFFDRLA 4Q4A Chain:A ((339-522)) --EGSVSFENVEFRYFENTDPVLSGVNFSVKPGSLVAVLGETGSGKSTLMNLIPRLIDPERGRVEVDELDVRTVKLKDLRGHISAVPQETVLFSGTIKENLKWGREDATDDEIVEAAKIAQIHDFIISLPEGYDSRVERGGRNFSGGQKQRLSIARALVKKPKVLILDDCTSSVDPITEKRILDGL-

General information: TITO was launched using: RESULT: Template: 4Q4A.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 : 666 -34619 -51.98 -213.70 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -51.98 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.222

(partial model without unconserved sides chains): PDB file : Tito_4Q4A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q4A-query.scw PDB file : Tito_Scwrl_4Q4A.pdb: