Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRILIVTGQSGSGKSSALQVLE-DLGYYCIDNLPLALL---PEIVAK--L-DH--E----NN-------L--EQLALGVDVRSTRADMQEFDHVFEQL-QKHGTVDVIYLTTQDQDLIARFSASRRPHPLANRFKSLLQCIHEEKQLLI-PIQ-FCATVHIDTTDKSVHDLKHILLSKLGQSDNLIVILQSFGYKHGIPLDADYVFDVRHLPNPHWDLELRRFSGLDEPVKQFLEASPQANEMFEDILHFLKKWLPAFAEGHRHYMTISIGCTGGQHRSVYMVDRLKQALEAEWSVQVLHREMKHWS 1KNQ Chain:B ((7-172)) DHHIYVLMGVSGSGKSAVASEVAHQLHAAFLDGDFLHPRRNIEKMASGEPLNDDDRKPWLQALNDAAFAMQRTNKVSLIVCSAL-------KKHYRDLLREGNPNLSFIYLKGDFDVIESRLKAR-KGHFFKT---Q---MLVTQFETLQEPGADETDVLVVDID-QPLEGVVASTIEVIK-------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1KNQ.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 : 582 -32200 -55.33 -228.37 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -55.33 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_1KNQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KNQ-query.scw PDB file : Tito_Scwrl_1KNQ.pdb: