Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLSSVAASFELGRDIEPSVVAMLQQAANNKSHGVYQSLSAEQLLPKLEAFIRAQGLAGAEVKGLRRMGGGASKEQFVFDLHSAAGPVQRCVLRMDPLESAVVTDRRKEYEVLNCMQS-VLPVPPVLWADIEGAELGRPALICGFIGGV-TKPSGDSGNVSGLGALLPERFRERLSAQFIDYLVAMHGVAVDF-KPEVFQVPDADPQQAARWQLNWWSSVWQDDAI-EGSPLMGLAERWMRDNLPS-ARELVVVHADYRTGNYLFDEDSQEISTVLDWELAHIGDYHEDLAWIICHKGVTEDGQIMASGLMTPEELCERYRAATGRLVDAKTLHFYKVLSVYKCVAICLATAAQTASRKHSHQDVLLSWLTAAGHSFSAELLSLLKEVQ 4R78 Chain:A ((21-277)) -------------------------------------------MEKIIKEKISSLLSQEEEVLSVEQL-GGMTNQNYLAKTT-----NKQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDIE------AGIKVNEYIESAITLDSTS---------------IKTKFDKIAPILQTIHTSAKELRGEF--A---------PFEEIKKYESLIEEQIPYANYESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQ-GR-LYLIDWEYSSMNDPMWDLAALFLESEFT---------SQEEETFLSHYESDQTP-VSHEKIAIYKILQDTIWSLWTVY---------------------------------------

General information: TITO was launched using: RESULT: Template: 4R78.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 : 1158 -23088 -19.94 -91.62 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -19.94 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.207

(partial model without unconserved sides chains): PDB file : Tito_4R78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r78-query.scw PDB file : Tito_Scwrl_4R78.pdb: