Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDALVLRDLSKTYRNGFQALKGINLTVPEGEFYALLGPNGAGKSTTIGIISSLTKKTSGTVEIFGHNLDTHPSLAKQQLGVVPQEFNFGQFEKAFDILVTQAGYYGIHRKIAEKRAEHYLEKLGLWEKRNIQARMLSGGMKRRLMIARAMMHEPKLLILDEPTAGVDIELRRSMWDFLTEM-NENGTSIILTTHYLEEAEMLCRQIAIIDRGVIKEDTSMKSFLNQLSEESFIFDLAEPIAPLQLNIIGVKFNLIDGSTLEVTMDKAHTLNDLFQLLESQGIRVRSMRNKSNRLEELFVKMVEKNLEGAAK 4YER Chain:A ((4-307)) --DIIVVENLVKKFGD-FEAVKGVSFSVKKGEIFAFLGPNGAGKTTTIHMLTTLLKPTSGKAWVAGHDVLKEPREVRRKIGIVFQDQSLDRELTAYENMYIHGKIYGYGGEKLKKRILELLEFVELLEFKDKPVKTFSGGMARRLEIARSLIHEPEVLFLDEPTIGLDPHTRAHMWEYISKMKKEHNMTIFLTTHYMDEAEQLADRVAIIDHGKIIALGTPTELKRMVGKEIIYVR----------DFIESCRKLPDGRLELNVED------------------IEEITYHKPTLNDVFLHLTGREL-----

General information: TITO was launched using: RESULT: Template: 4YER.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 : 1433 -134798 -94.07 -490.17 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -94.07 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_4YER.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YER-query.scw PDB file : Tito_Scwrl_4YER.pdb: