Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLE-NIK-QTITRWDERNPWTNVYGLARSIIALSSLLTLLINHPSLIMKPAS-GISSYPACKMNLSLFCLGEN----N-YMMLNLFRWVCIAILVLVVIGWRPRITGVLHWYVSYSLQSSLIVIDGGEQAAAVMTFLLL-PITLTDPRKWHWSTRPIEGKRTLGKITAFISYFV-IRI-----QVAVLYFHSTVAKL-----------SQQEWVDGTAVYYF-AQE---KTIGFNGFFQALTK-------P-IVTSPFVVIPTWGTLLVQIVIFAALFAPKKHWR-----------------LILIIAVFMHEIFAV---MLGLIS------FSIIMAGILILYLTPIDS--------------TIQFTYIRRLLWNKKHKKGEVSV----- 4KQ7 Chain:A ((2-374)) QSNMTNEMFDLAKLKSGVKNKRISSTDPTGGNRDHLEPFKPGEKRIIADIKGMGVINHIWVTIAPPPPTLSRNDIIIRMYWDGNDYPSVESPIGPFFGQGWDER----------YNYAS--LPLSAGPENGTGLSCYFAMPF----EKGARIEIEN-QSDRNIDAFYFYVDYLEMAKLPKDMGRFHAWYNHNLTEALPEGETEWGVTGAQKPNTTGERNYVFMETQGKGHFVGINYYVHCPTPMWYGEGDDMWFIDGEKVPSLIGTGTEDF--FNTAWCPKEAFSHPYFGYPRVNNDIGWLGRTHVYRFFIEDPIFFEKSLKGTIEHGSNNNLTLDLSTVAYWYQDSAVALPEAPTKAQRAPKPFINHVDIHRWRDAWRKSKGNKATLWGNE

General information: TITO was launched using: RESULT: Template: 4KQ7.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 : 1255 -182801 -145.66 -630.35 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -145.66 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_4KQ7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KQ7-query.scw PDB file : Tito_Scwrl_4KQ7.pdb: