Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPKLKPLPAKKSTLPPELPEESDELTVGNIRVGPRGVEFTGEGDLQVRRPDLNFENLKRVRQLGQGTQGNVSMYVTADKSVFAVKKITIPVTLDTRTRQTVAAELRNIFSAQSNEYTVNLYNAFYRNRALRLVMEYMDWGNIDELIAEKVKIPPTVCGYIASQMLHALAVLHTKSNIVTEPNQHKSLRQIHRDIKPANVLLSTTGCVKLADFGIATSAETIGVNSFVGTATYMSPERIQGRRYSTPSDIWSVGVVVAQMLLGHYP-------------FSSVSKGFMALLREINSV--EKYPLMDETGCSQETQDFIDSCLRQDPDDRSSAFELLESPWIKYCEEHGKAEMVALLASLGDRNRQYREDDALQAASRETSSLSLPRDTSETCKADNPLGM 4U7Z Chain:A ((2-302)) ---------------------------------------------------ELKDDDFEKISELGAGN-GGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNS-PYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKI------------MHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANS-VGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMF------PPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIK----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4U7Z.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 : 1214 -130062 -107.13 -510.05 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -107.13 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_4U7Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U7Z-query.scw PDB file : Tito_Scwrl_4U7Z.pdb: