Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQVSEITHRTKTRPVKVGPLTIGGNNEVVIQSMTTTKTHDVEATVAEINRLAEAGCQIVRVACPDERAANAIADIKKRISIPLVVDIHFDYKLALKAIEGGADKIRINPGNIGRREKVEAVVKAAKDKGIPIRIGVNAGSLEKRILEKYGYPTADGMVESALHHIKILEDLDFHDIIVSMKASDVNLAIEAYEKAAKAFDYPLHLGITESGTLFAGTVKSAAGLGAILSKGIGNTMRISLSADPVEEVKVARELLKSFGLASNAATLISCPTCGRIEIDLISIANEVEEYISKIKAPIKVAVLGCAVNGPGEAREADIGIAGARGEGLLFRKGKIVRKVPEETMVEELKKEIDILAEEHYAKLEAEKAKLKEETQKA 4MWA Chain:H ((8-260)) ------THRTKTRPVKVGNLTIGGNNELIIQSMTTTKTHDVEATVAEIKRLEEAGCQVVRVAVPDERAANAIADIKKQINIPLVADIHFDYRLALKAIEGGIDKVRINPGNIGRRHKVEAVVNAAKERGIPIRIGVNAGSLERHILEKYGYPTADGMVESALHHIKILEDLDFHDIIVSMKASDVNLAIEAYEKAARAFDYPLHLGITESGTLFAGTVKSAAGLGAILNKGIGNTLRISLSADPVEEVKVARELLKSFG----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4MWA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1446 -137370 -95.00 -542.96 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain H : 0.84 3D Compatibility (PKB) : -95.00 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.712

(partial model without unconserved sides chains): PDB file : Tito_4MWA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MWA-query.scw PDB file : Tito_Scwrl_4MWA.pdb: