Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEKLKQLEQEALEQVEAASSLKVVNDIRVQYLGKKGPITEVLRGMGKLSAEERPKMGALANEVRERIANAIADKNEKLEEEEMKQKLAGQTIDVTLPGNPVAVGGRHPLTVVIEEIEDLFIGMGYTVEEGPEVETDYYNFESLNLPKEHPARDMQDSFYITEETLMRTQTSPVQTRTMEKHEGKGPVKIICPGKVYRRDNDDATHSHQFMQIEGLVVDKNISMSDLKGTLELVAKKMFGQDREIRLRPSFFPFTEPSVEVDVTCFKCGGNGCSVCKGTGWIEILGAGMVHPNVLKMAGFDPKEYQGFAFGMGVERIAMLKYGIDDIRHFYTNDVRFISQFKQA 4P75 Chain:D ((87-338)) ---------------------------------------------------------------------------------------LAAERIDVTLPGRGQLSGGLHPVTRTLERIEQCFSRIGYEVAEGPEVEDDYHNFEALNIPGHHPARAMHDTFYFNANMLLRTHTSPVQVRTMESQQP--PIRIVCPGRVYRCDSD-LTHSPMFHQVEGLLVDEGVSFADLKGTIEEFLRAFFEKQLEVRFRPSFFPFTEPSAEVDIQCVICSG---------GWLEVMGCGMVHPNVLRMSNIDPEKFQGFAFGMGAERLAMLRYGVNDLRLFFDNDLRFLGQFR--

General information: TITO was launched using: RESULT: Template: 4P75.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1139 -127328 -111.79 -523.98 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.81 3D Compatibility (PKB) : -111.79 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_4P75.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P75-query.scw PDB file : Tito_Scwrl_4P75.pdb: