Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKQIHPLILFSFFGIMMFILIINRPLNDSQSFKTKSNIAQIEAQALKHLDKPIIDLSGWQRPEEINYDALSQNISGAIVRVHSGTQTTKENDASFINGIDKAYKSHITELQKRNVPVAVYAYVAGKSVQEMEKAAEVFYNAASPYSPSYYWLDVEDKTMSNMNEGVENFRAKLASLGAKNIGIYVGVYFMEEHSIDTGKFTSVWIPSYGSDSGFLESSPKTDLDYDIHQYTSKGKIAGFDHDLDINVISPLKNKEETFRKLFLKP 2JEP Chain:B ((111-126)) ------------------------------------------------------------------------------------------------------RIQQVVDYAYNEGLYV----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2JEP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 12 -2717 -226.38 -169.78 target 2D structure prediction score : 0.88 Monomeric hydrophicity matching model chain B : 0.50 3D Compatibility (PKB) : -226.38 2D Compatibility (Sec. Struct. Predict.) : 0.88 1D Compatibility (Hydrophobicity) : 0.50 QMean score : 1.035

(partial model without unconserved sides chains): PDB file : Tito_2JEP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JEP-query.scw PDB file : Tito_Scwrl_2JEP.pdb: