Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSKKKQIKLGVFLAGTGHHVASWRHPDAPSDASMNLDYFKELAKTAERGKLDMLFLADSLSIDSKSHPNVLTRFEPFTLLSALAQVTSKIGLTATASTTYSEPFHIARQFASLDHLSNGRAGWNVVTSSIESTALNFSGEKHLEHHLRYQRAEEFVEIVKGLWDSWEEDAFIRNKETGEFFDKEKMHELNHKGEYFSVRGPLNVSRTPQ-GQPVIIQAGSSGDGKALAAKTAEVIFTAQNHLESAQEFYQSIKEQAAEFGRDPEKIAIMPGIFPIIADTEEAAQAKYKELQDLIIPSVGLQILQNYLGGIDLSAYPLDGPLPKLDAEASNAVKSRFKLVQEMAERDNMTIRELYK--YVAGSRGHHIFVGTPEQLADKMQEWVDTKACDGFNIMPPLLPEGIEVFVDQVVPILQERGVFRKEYEGTTLREHFGLEKPVNRYAK 1NQK Chain:A ((2-358)) ------SLNMFWFLPT---HGDGHYLGTEEGSRPVDHGYLQQIAQAADRLGYTGVLIPTGRS-----------CEDAWLVAASMIPVTQRLKFLVALRPSVTSPTVAARQAATLDRLSNGRALFNLVTGSDPQELAGDGVF--LDHSERYEASAEFTQVWRRLLQR---------------------ETVDFNGKHIHVRGAKLLFPAIQQPYPPLYFGGSSDVAQELAAEQVDLYLTWGEPPELVKEKIEQVRAKAAAHGRK---IRFGIRLHVIVRETNDEAWQAAERLISHLDDE-TIAKAQAAFA-----R-----------------------------DNLEISPNLWAGVGLVRG-GAGTALVGDGPTVAARINEYAAL-GIDSFVLSGYPHLEEAYRVGELLFPLLDVAIPEIPQ---------------------

General information: TITO was launched using: RESULT: Template: 1NQK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1889 -102102 -54.05 -302.97 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -54.05 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.388

(partial model without unconserved sides chains): PDB file : Tito_1NQK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NQK-query.scw PDB file : Tito_Scwrl_1NQK.pdb: