Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDALVLRDLSKTYRNGFQALKGINLTVPEGEFYALLGPNGAGKSTTIGIISSLTKKTSGTVEIFGHNLDTHPSLAKQQLGVVPQEFNFGQFEKAFDILVTQAGYYGIHRKIAEKRAEHYLEKLGLWEKRNIQARMLSGGMKRRLMIARAMMHEPKLLILDEPTAGVDIELRRSMWDFLTEMNE-NGTSIILTTHYLEEAEMLCRQIAIIDRGVIKEDTSMKSFLNQLSEESFI--FDLAEPIAPLQLNIIGVKFNLIDGSTLEVTMDKAHTLNDLFQLLESQGIRVRSMRNKSNRLEELFVKMVEKNLEGAAK 4YER Chain:A ((2-308)) MEDIIVVENLVKKF-GDFEAVKGVSFSVKKGEIFAFLGPNGAGKTTTIHMLTTLLKPTSGKAWVAGHDVLKEPREVRRKIGIVFQDQSLDRELTAYENMYIHGKIYGYGGEKLKKRILELLEFVELLEFKDKPVKTFSGGMARRLEIARSLIHEPEVLFLDEPTIGLDPHTRAHMWEYISKMKKEHNMTIFLTTHYMDEAEQLADRVAIIDHGKIIALGTPTELKRMVGKEIIYVR----------DFIE-S-CRKLPDGRLELNVED------------------IEEITYHKPTLNDVFLHLTGRELR----

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 : 1428 -5303 -3.71 -19.28 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -3.71 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.081

(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: