Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIENPIKRRPTRKIRVGSVYVGGDAPISVQSMTNTETCDVDATVAQIERCVDAGADIMRVSVPSMEAAEAFGAIRKRVSVPLVADIHFDHRIALAVADYGADCLRINPGNIGSDQKVREVVAAARHHGISMRIGVNAGSLEKDLQKKYGEPTGQALLESALRHIDILDRLDFHEFKVSVKASNVFLTMDAYRLLSQQIDNPLHLGVTEAGIYRTGTVKSAIALGGLLMEGIGDTMRISLAAEPEDEIKIGFDILKSLGLRSNGINFIACPSCSRQEFNVIQVMQALEERLEDIRTPMDVSVIGCKVNGPGEAKEADIGVVGAAPRSLVYRNGEKSHLIDTNQLVDEIETMVRQRVQELEEAKSKEIIRSSS 4MWA Chain:F ((5-266)) --NEMTHRTKTRPVKVGNLTIGGNNELIIQSMTTTKTHDVEATVAEIKRLEEAGCQVVRVAVPDERAANAIADIKKQINIPLVADIHFDYRLALKAIEGGIDKVRINPGNIGRRHKVEAVVNAAKERGIPIRIGVNAGSLERHILEKYGYPTADGMVESALHHIKILEDLDFHDIIVSMKASDVNLAIEAYEKAARAFDYPLHLGITESGTLFAGTVKSAAGLGAILNKGIGNTLRISLSADPVEEVKVARELLKSFGLASNAA-----------------------------------------------------------------------------------------------------------

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 F - contact count / total energy / energy per contact / energy per residue : 1493 -142745 -95.61 -544.83 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain F : 0.79 3D Compatibility (PKB) : -95.61 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.634

(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: