Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMQEKIMRELHVKPSIDPKQEIEDRVNFLKQYVKKTG-AKGFVLGISGGQDSTLAGRLAQLAVESIREEGGD--AQFIAVRLPHGTQQDEDDAQLALKFIKPDKSWKFDIKSTVSAFSDQYQQETGDQLTDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYLKEPTADLLDEKPQQSDETELGISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVPASMFDDWWK 1WXI Chain:A ((2-274)) -TLQQQIIKALGAKPQINAEEEIRRSVDFLKSYLQTYPFIKSLVLGISGGQDSTLAGKLCQMAINELRLETGNESLQFIAVRLPYGVQADEQDCQDAIAFIQPDRVLTVNIKGAVLA-SEQALREAGIELSDFVRGNEKARERMKAQYSIAGMTSGVVVGTDHAAEAITGFFTKYGDGGTDINPLYRLNKRQGKQLLAALACPEHLYKKA-------------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 : 1171 -79769 -68.12 -310.39 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -68.12 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.551

(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: