Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPKLKPLPAKKSTLPPELPEESDELTVGNIRVGPRGVEFTGEGDLQVRRPDLNFENLKRVRQLGQGTQGNVSMYVTADKSVFAVKKITIPVTLDTRTRQTVAAELRNIFSAQSNEYTVNLYNAFYRNRALRLVMEYMDWGNIDELIAEKVKIPPTVCGYIASQMLHALAVLHTKSNIVTEPNQHKSLRQIHRDIKPANVLLSTTGCVKLADFGIATSAETIGVNSFVGTATYMSPERIQGRRYSTPSDIWSVGVVVAQMLLGHYPF---SSVSKGFMALLREINSV--EKYPLMDETGCSQETQDFIDSCLRQDPDDRSSAFELLESPWIKYCEEHGKAEMVALLASLGDRNRQYREDDALQAASRETSSLSLPRDTSETCKADNPLGM 3ORN Chain:A ((2-270)) ---------------------------------------------------ELKDDDFEKISELGAGN-GGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNS-PYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKI------------MHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPP------PMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIK----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ORN.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 : 1269 -120875 -95.25 -472.17 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -95.25 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_3ORN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ORN-query.scw PDB file : Tito_Scwrl_3ORN.pdb: