Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGGNMAEKDLATRVARVLG--RNSVRLEDLPPGSSRGAARVLSEEGEPIAFLRIDLGVATDVTVGKALVSEMALVKRAHDLGFPVPKVFALLNDPPVAVMELAAGT-ARPDEAEAERVGPEFMGHIARLHSIAPAEFGLDAPATVSDAIRQDLDCYMADAEARGI-TRRPLVRLAARILRHALPRSAEPPAMLHGDVGAGNFMVDNGRVSAILDWELAHAGDIHEDLAWLWTRGAHTAFGDPRQRIAEYEAAAGKALDPDRLAWHVAFVTFKSVIGLQRRMYAQGDDPGLLIILIAILTYETLLCAALGRILGIQLDMMEEAPVEGVTETVRLIELMRHVAPPANREGELLQQYLRAEAAQRPWNADRLRADARERLGAHPDQLDMLVDSAAPDRFADLLRVFGAAAGRRCKAFPNAERRVRRALAIGLGKQN 4R78 Chain:A ((20-300)) -----HMEKIIKEKISSLLSQEEEVLSVEQL-GGMTNQNYLAKTT--NKQYIVKFFGKGTEK---LINRQDEKYNLELLKDLGLDVKNYLFDIE-AGIKVNEYIESAITLDST-SIKTKFDKIAPILQTIHTSAKELRGEFA-------PFEEIKKYESLIEEQIPYANYESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESE-FTSQEEETFLSHYESDQTPV-SHEKIAIYKILQDTIWSLWTVYKEE---QGEDFGDYGVNRYQRAVKGL--------------------------------------------------------------------------------------------------------------------------------

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 : 1335 24040 18.01 86.79 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 18.01 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.310

(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: