Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIPNHPETETLQLTKVLHALSDPLRLELVKQLAEAKEKTCSTCA-DVQVAKSTLSHHFKVLRESGIAQVRIEGKRRYYSLRAEDLEKAFPGLLEAVLNVDQDRW 2LKP Chain:A ((19-96)) ---------AAAQVASTLQALATPSRLMILTQLR-NGPLPVTDLAEAIGMEQSAVSHQLRVLRNLGLVVGDRAGRSIVYSLYDTHVAQ-----------------

General information: TITO was launched using: RESULT: Template: 2LKP.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 : 203 -29819 -146.89 -387.25 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -146.89 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.746

(partial model without unconserved sides chains): PDB file : Tito_2LKP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2LKP-query.scw PDB file : Tito_Scwrl_2LKP.pdb: