Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVMLATALFLGLTPAGANAADLGHQTLGSNDGWGAYSTGTTGGSKASSSNVYTVSNRNQLVSALGKETNTTPKIIYIKGTIDMNVDDNLKPLGLNDYKDPEYDLDKYLKAYDPSTWGKKEPSGTQEEARARSQKNQKARVMVDIPANTTIVGSGTNAKVVGGNFQIK----SDNVIIRNIEFQDAYDYFPQWDPTDGSSGNWNSQYDNITI-NGGTHIWIDHCTFNDGSRPDSTSPKYYGRKYQHHDGQTDASNGANYITMSYNYYHDHDKSSIFGSSDSKTSDD-GKLKITLHHNRYKNIVQRAPRVRFGQVHVYNNYYEGSTSSSSYPFSYAWGIGKSSKIYAQNNVIDVPGLSAAKTISVFS--GGTALYDSGTLLNGTQINASAANGLSSSVGWTPSLHGSIDASANVKSNVINQAGAGKLN 1PE9 Chain:A ((16-361)) ---------------------------------GWASQNGFTTGGAAATSDNIYIVTNISEFTSAL--SAGAEAKIIQIKGTIDIS--------GGTPYTD---------------------------------FADQKARSQINIPANTTVIGLGTDAKFINGSLIIDGTDGTNNVIIRNVYIQTPIDVEPHYEKGDG----WNAEWDAMNITNGAHHVWIDHVTISDGNFTDDMYTTKDGETYVQHDGALDIKRGSDYVTISNSLIDQHDKTMLIGHSDSNGSQDKGKLHVTLFNNVFNRVTERAPRVRYGSIHSFNNVFKGDAKDPVYRYQYSFGIGTSGSVLSEGNSFTIANLSASKACKVVKKFNGSIFSDNGSVLNGSAVDLSGC-GFSAYTSKIPYIYDVQPMTTELAQSITDNAGSGKL-

General information: TITO was launched using: RESULT: Template: 1PE9.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 : 2196 -101981 -46.44 -301.72 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -46.44 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.629

(partial model without unconserved sides chains): PDB file : Tito_1PE9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PE9-query.scw PDB file : Tito_Scwrl_1PE9.pdb: