Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRDSVFIYSPSYQTYMFHQEHPFNQQRVLLTYDLLKTINAFDDGDIVTPRLASEEELSLVHTDDYIQAV-KLAGAGKLPAEEGESYGLGTEDTPVFAGMHEAASLLVGGTLTAADWVMSGQALHAANLGGGLHHGFRGRASGFCIYNDSAVAIQYIQKKYSARVLYIDTDAHHGDGVQFTFYDNPDVCTLSIHETGRYLFPGTGQIQEKGSGKGYGYSFNIPLDAFTEDDSFLEAYRTAASEVAAYFEPDVIISQNGADAHYYDPLTHLSAT-INIYEEIPRLAHTLAHQYCGGKWIAVGGGGYDIWRVVPRAWARIWLEMKGIDPGHEIPPEWIVKWQKQCPVALPSSWSDPADLYPPIPRKPEITEKNAQTVSKALYAIRSEQQRTK 4QA1 Chain:D ((17-330)) ----VYIYSPEYVSMC--DSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGY-DCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFE-RILYVDLDLHHGDGVEDTFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGK---CLKYILQWQL---ATLILGGGGYNLANT-----ARCWTYLTGVILGKTLSSE--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QA1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1936 -81986 -42.35 -262.78 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.74 3D Compatibility (PKB) : -42.35 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_4QA1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QA1-query.scw PDB file : Tito_Scwrl_4QA1.pdb: