Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------MDAAIDGRAQSAEERMLRDALGEQLEGELRIISREPFGGG------ALTGFEELSPQARYWYVDTSGKRVEAETGFVLGDPGRPDARIWLHPADP-----RLPALAPASFPAAAATLMGRLGVSIDRPPELLVYRPGK-----RAMFR-MRAGERETYLKIVRPS------------ASGSIVELQESLRAGGVPVPHITGWSELGIVLTETADGVPLTSRLAELEPDRLLDSIDALRERIAAVD-------TGRDARASLALRHDWYLARIDAALARAAEGDPAVAPSAVLRDHLAAVTAVVTGADASALVVDEAERRTIHGDLHVGQLFVDADDASAIAGVIDIDTAGLGDPADDEAALIAHLIASIALARRDEGRSAGFRRLLDAAAARWLAPGRPGRARVAHRTAVHVLAHALAPIERGDLETAEVELALGRDILRDADERPLI 1TPZ Chain:A ((14-415)) NDLPSSFTGYFKKFNTGRKIISQEILNLIELRMRKGNIQLTNSAISDALKEIDSSVLNVAVTGETGSGKSSFINTLRGIGNEEEGA-------------AKTGVV---EVTMERHPYKHPNIPNVVFWDLPGIGSTNFP--PDTYLEKMKF--YEYDFFIIISATRFKKNDIDIAKAISMMKKEFYFVRTKVDSDITNEADKEKVLQDIRLNCVNTFRENGIAEPP--------IFLLSN----------KNVCHYDFPVLMDKLISDLPIYKRHNFMVSLPNITDSVIEKKRQFLKQRIWLEGFAADLVNIIPSLTFLLDSDLETLKKSMKFY------------RTVFG--------VDETSLQRLA-----RDWEI--EVDQVEA----MIKSPAVF-KPTDEETIQERLSRYIQEFCLANGYLLPKNSFLKEIFYLKYYFL------DMVTEDAKTLLKEICLKLGR-----

General information: TITO was launched using: RESULT: Template: 1TPZ.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 : 1439 14723 10.23 44.48 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 10.23 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.309

(partial model without unconserved sides chains): PDB file : Tito_1TPZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1tpz-query.scw PDB file : Tito_Scwrl_1TPZ.pdb: