Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPKLKPLPAKKSTLPPELPEESDELTVGNIRVGPRGVEFTGEGDLQVRRPDLNFENLKRVRQLGQGTQGNVSMYVTADKSVFAVKKITIPVTLDTRTRQTVAAELRNIFSAQSNEYTVNLYNAFYRNRALRLVMEYMDWGNIDELIAEKVKIPPTVCGYIASQMLHALAVLHTKSNIVTEPNQHKSLRQIHRDIKPANVLLSTTGCVKLADFGIATSAETIGVNSFVGTATYMSPERIQGRRYSTPSDIWSVGVVVAQMLLGHYP-------------FSSVSKGFMALLREINSV--EKYPLMDETGCSQETQDFIDSCLRQDPDDRSSAFELLESPWIKYCEEHGKAEMVALLASLGDRNRQYREDDALQAASRETSSLSLPRDTSETCKADNPLGM 4U80 Chain:A ((2-302)) ---------------------------------------------------ELKDDDFEKISELGAGN-GGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNS-PYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKI------------MHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMA---VGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMF------PPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIK----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4U80.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 : 1196 -129930 -108.64 -513.56 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -108.64 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.449

(partial model without unconserved sides chains): PDB file : Tito_4U80.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U80-query.scw PDB file : Tito_Scwrl_4U80.pdb: