Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMQEKIMRELHVKPSIDPKQEIEDRVNFLKQYVKKT-GAKGFVLGISGGQDSTLAGRLAQLAVESIREE-GG-DAQFIAVRLPHGTQQDEDDAQLALKF-IKPDKSWKFDIKSTVSAFSDQYQQETGDQLTDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYLKEPTADLLDEKPQQSDETELGISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVPASMFDDWWK 1WXI Chain:A ((2-274)) -TLQQQIIKALGAKPQINAEEEIRRSVDFLKSYLQTYPFIKSLVLGISGGQDSTLAGKLCQMAINELRLETGNESLQFIAVRLPYGVQADEQDCQDAIAFIQP-DRVLTVNIKGAVLASEQALREA-GIELSDFVRGNEKARERMKAQYSIAGMTSGVVVGTDHAAEAITGFFTKYGDGGTDINPLYRLNKRQGKQLLAALACPEHLYKKA-------------DEVALGVTYDNIDDYLEGKNVPQQVARTIENWYLKTEHKRRPPITVFDDFWK

General information: TITO was launched using: RESULT: Template: 1WXI.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 : 1154 -74227 -64.32 -289.95 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -64.32 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_1WXI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WXI-query.scw PDB file : Tito_Scwrl_1WXI.pdb: