Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPKLKPLPAKKSTLPPELPEESDELTVGNIRVGPRGVEFTGEGDLQVRRPDLNFENLKRVRQLGQGTQGNVSMYVTADKSVFAVKKITIPVTLDTRTRQTVAAELRNIFSAQSNEYTVNLYNAFYRNRALRLVMEYMDWGNIDELIAEKVKIPPTVCGYIASQMLHALAVLHTKSNIVTEPNQHKSLRQIHRDIKPANVLLSTTGCVKLADFGIATSAETIGVNSFVGTATYMSPERIQGRRYSTPSDIWSVGVVVAQMLLGHYP---------------FSSVSKGFMALLREINSV--EKYPLMDETGCSQETQDFIDSCLRQDPDDRSSAFELLESPWIKYCEEHGKAEMVALLASLGDRNRQYREDDALQAASRETSSLSLPRDTSETCKADNPLGM 5KKR Chain:C ((64-364)) ---------------------------------------------------ELKDDDFEKISELGAG----VVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNS-PYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKI------------MHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFGC-------PMAIFELLDYIVNEPPPKLPSAVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIK----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5KKR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1123 -124944 -111.26 -495.81 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.72 3D Compatibility (PKB) : -111.26 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.417

(partial model without unconserved sides chains): PDB file : Tito_5KKR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KKR-query.scw PDB file : Tito_Scwrl_5KKR.pdb: