Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRTRRLGQTLFSQPFLGEISMNLTIQEIAQAVGSECSALTKITNVEFDSRKITEGSLFVPLAG-TRDGHEFIQQAITNGASASFWSLPVEQAPKNFPVIPVADPLKAMQQLATYYLEK--VGAEVVAITGSNGKTTTKDLTASVLSEKYK---TYKTQ-----G-NYNNNIGLP--YTILHM-----PQDTEKIVLEMGMDHANEITELSLMAQPKAAAITMIGEAHIENLGSREGIAKAKMEITDGLVSDGLLVVPADEPLLTPLTATLVQTVTTFGIG-NGDVHAEVTAKGKAQTDFVVE----GETFTIPLPGSYNVTNALIAYTIGRFFGLSIPEIRQGLAHVSITQNRTEWLTAG--NGAAILSDVYNANPTAMGLVLDTFKNLPTKGRRIAVLADMLELGKESLNMHAQ-MSEHIDPEKFAMIFLYGEQM-----HALKEELNQKYPQ--LPVFYLEKEKNKLIDAIKQNLEATDSIMLKGSNSMGLFEVVEQLQQMK 4BUB Chain:B ((20-461)) ------------------------------------PYDLEITGVSNHSSKVKKGDLFICRRGE--DSHEIIPEVMEKGAVAVVVEREID---LDFPYIQVFDSRYFEAKVASLFFEDPWKDVLTFGVTGTNGKTTTTMMIYHMLTSLGERGSVLTTAVKRILGNSYYDDITTPDAITILSAMKENREGGGKFFALEVSSHAL--VQQRVEGVRFDVGIFTNISRDHLDFHGTFENYLKAKLHLFDLLKDDGVAVLNESLADAF--NR--KSRKITFGTSKNADYRLGNIEVSWEGTQFVLETPDGLLKVFTRAIGDFNAYNAAAAIAALHQLGYDPKDLASSLETFTGVEGRFEVVRGAKKIGLNVVVD-FAHSPDALEKLLKNVRKIS-QGRVIVVFGAGGN---SD-RGKRPMMSEVASKL-ADVVILTTDDPRGEDPEQIMEDLIK-GIDKRKPYLVLF-DRREAIETALTIANRGDSVVIAGRGHERYQII--------

General information: TITO was launched using: RESULT: Template: 4BUB.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 : 2168 7386 3.41 18.19 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : 3.41 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_4BUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BUB-query.scw PDB file : Tito_Scwrl_4BUB.pdb: