Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLIEQLQSKIEQARTLYKEFRLYDLGSFALNRFTPKDGFEQVLNVRYGLKPRHRLDIYRSTK-RLAHRPLIVFVHGGAWQHGNKRDYLFIGEAFTK-EGYDVAVINYQLAPKNIFPSYVDDLTQALNYLHQNQEKLEISTENIVLMGHSAGAFNVMSAVYHPKPNTIQCLGNIKAIFGLAGPYHFDYKGDPL-----------------AEDAFDQSI-SYKEVMPYYFV-NQNHIKHYLLMAENDQLVKKENTFDLDQALRQSGNHSHIAVIPKTGHITILASLSSFVSHYFRTKRTILHFLDEVF 4YPV Chain:A ((99-347)) ----------------------------------------------------DIPVRIYTPVAAGGAALPVLVYFHGGGWVIGDLETHDALCRSFANEAGCKVVAVDYRLAPEHRFPAAAEDCLAAVKWVETNASEIGVDANRIAVAGDSAGGNLAAVVSQLALAA--KG-PRIAFQLLIYPVTDTNVDTASYRENASGYFLERDGMIWFFDHYLNGADRTDPRVAPLRAASLAGLPRAYVITAGFDPLK-DE-GRAYAEALKAAGVPTEYVNYEGMIHGFFNLQAA--FDVSRDAVKAAAKALKEAL

General information: TITO was launched using: RESULT: Template: 4YPV.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 : 1360 -46857 -34.45 -205.51 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -34.45 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_4YPV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YPV-query.scw PDB file : Tito_Scwrl_4YPV.pdb: