Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRDSVFIYSPSYQTYMFHQEHPFNQQRVLLTYDLLKTINAFDDGDIVTPRLASEEELSLVHTDDYIQAV-KLAGAGKLPAEEGESYGLGTEDTPVFAGMHEAASLLVGGTLTAADWVMSGQALHAANLGGGLHHGFRGRASGFCIYNDSAVAIQYIQKKYSARVLYIDTDAHHGDGVQFTFYDNPDVCTLSIHETGRYLFPGTGQIQEKGSGKGYGYSFNIPLDAFTEDDSFLEAYRTAASEVAAYFEPDVIISQNGADAHYYDPLTHLSAT-INIYEEIPRLAHTLAHQYCGGKWIAVGGGGYDIWRVVPRAWARIWLEMKGIDPGHEIPPEWIVKWQKQCPVALPSSWSDPADLYPPIPRKPEITEKNAQTVSKALYAIRSEQQRTK 4QA0 Chain:B ((17-330)) ----VYIYSPEYVSMC--DSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGY-DCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFFYLNDAVLGILRLRRKFE-RILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGK---CLKYILQWQL---ATLILGGGGYNLANT-----ARCWTYLTGVILGKTLSSE--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QA0.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 : 1904 -87282 -45.84 -279.75 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -45.84 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_4QA0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QA0-query.scw PDB file : Tito_Scwrl_4QA0.pdb: