Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIKTIRRTKVAKNLKLKLARVERDLTQGQLAEAVGVTRQTIGLIEAGKYNPSLSLCQSICRCLGKTLDQLF-WEEEDEK 2XJ3 Chain:B ((6-65)) ----------------LKLIREKKKISQSELAALLEVSRQTINGIEKNKYNPSLQLALKIAYYLNCPLEDIFQWQP----

General information: TITO was launched using: RESULT: Template: 2XJ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 178 -33777 -189.76 -572.49 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -189.76 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.754

(partial model without unconserved sides chains): PDB file : Tito_2XJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XJ3-query.scw PDB file : Tito_Scwrl_2XJ3.pdb: