Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVVCIGCGVTIQTEDKTGLGYAPPASLTKENVICQRCFRLKNYNEIQDVSLTDDDFLNILHGIGETDSLVVKIVDIFDFNGSWINGLQRLVGGNPILLVGNKADILPKSLKRERLIQWMKREAKELGLKPVDVFLVSAGRGQGIREVIDAIEHYRNGK--------------DVYVVGCTNVGKSTFINRIIKEVSGEEDIITTSQFPGTTLDAIEIPLDDGSSLYDTPGIINNHQMAHYVNKKDLKILSPKKELKPRTFQLNDQQTLYFGGLARFDYVSGERSPFICYMPNELMIHRTKLENADALYEKHAGELLTPPGKDEMDEFPELVAHTFTIKDKKTDIVFSGLGWVTVHDADKKVTAYAPKGVHVFVRRSLI 1PUJ Chain:A ((44-176)) ----------------------------------------------------------------------------------------IEDILKNKPRIMLLNKADKADAAVTQ----QW-KEHFENQGIRSLSINSVN---GQGLNQIVPASKEILQEKFDRMRAKGVKPRAIRALIIGIPNVGKSTLINRLAK-----KNIA------------QWVKVGKELELLDTPGIL--------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1PUJ.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 : 293 -6666 -22.75 -62.30 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -22.75 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.574

(partial model without unconserved sides chains): PDB file : Tito_1PUJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PUJ-query.scw PDB file : Tito_Scwrl_1PUJ.pdb: