Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIPNHPETETLQLTKVLHALSDPLRLELVKQLAEAKEKTCSTCADVQVAKSTLSHHFKVLRESGIAQVRIEGKRRYYSLRAEDLEKAFPGLLEAVLNVDQDRW 3PQK Chain:A ((24-91)) ------------EVANLLKTLSHPVRLMLVCTLVEGEFSVGELEQQIGIGQPTLSQQLGVLRESGIVETRRNIKQIFYRL------------------------

General information: TITO was launched using: RESULT: Template: 3PQK.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 : 194 -31423 -161.97 -462.10 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -161.97 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.560

(partial model without unconserved sides chains): PDB file : Tito_3PQK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PQK-query.scw PDB file : Tito_Scwrl_3PQK.pdb: