Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLTIKGVSIGEGMPKIIIPLMGKTEKQILNEAEAVKLLNPDIVEWRVDVFEKANDREAVTKLISKLRKSLEDKLFLFTFRTHKEGGSMEMDESSYLALLESAIQTKDIDLIDIELFSGDANVKALVSLAEENNVYVVMSNHDFEKTPVKDEIISRLRKMQDLGAHIPKMAVMPNDTGDLLTLLDATYTMKTIYADRPIITMSMAATGLISRLSGEVFGSACTFGAGEEASAPGQIPVSELRSVLDILHKNTRG 3S42 Chain:A ((25-275)) MKTVTVRDLVVGEGAPKIIVSLMGKTITDVKSEALAYREADFDILEWRVDHFANVTTAESVLEAAGAIREIITDKPLLFTFRSAKEGGEQALTTGQYIDLNRAAVDSGLVDMIDLELFTGDDEVKATVGYAHQHNVAVIMSNHDFHKTPAAEEIVQRLRKMQELGADIPKIAVMPQTKADVLTLLTATVEMQERYADRPIITMSMSKTGVISRLAGEVFGSAATFGAVKKASAPGQISVADLRTVLTILHQ----

General information: TITO was launched using: RESULT: Template: 3S42.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 : 1458 -141141 -96.80 -562.31 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -96.80 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_3S42.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S42-query.scw PDB file : Tito_Scwrl_3S42.pdb: