Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKLAAFDELLQQYKTFNYHDNPVLAQRLQDVQTWLKERMKETHHDFFN-LPEHKLMAQYFLNRLYGGPEFDALAAQIERLLKYAHKAEKVLPENAIKTGTKSVSLAVLATQLDEQVAMQLLEDYPAD----TVLT------DEIMRLT------LIKLDQAEARYQQLALLDDL------------GAA----LDKYMCSFMMLTAFKMCKGIAQKYHF--------ELMYDFI---QDGFSAMKP------------LKSAEAFIKTFTE------KERQIV---------------------------EKVHSGHPNPFRV------- 4QNU Chain:A ((1-323)) MIDFGNFYSLIAKNHLSHWLET--LPAQIANWQREQQHGLFKQWSNAVEFLPEIKPYRLDLLHSVTAESEEPLSAGQIKRIETLMRNLMP------WRKGPFSLYGVNIDTEWRSDWKWDRVLPHLSDLTGRTILDVGCGSGYHMWRMIGAGAHLAVGIDPTQLFLCQFEAVRKLLGNDQRAHLLPLGIEQLPALKAFDTVFSMGVLYHRRSPLEHLWQLKDQLVNEGELVLETLVIDGDENTVLVPGDRYAQMRNVYFIPSALALKNWLKKCGFVDIRIADVSVTTTEEQRRTEWMVTESLADFLDPHDPGKTVEGYPAPKRAVLIARKP

General information: TITO was launched using: RESULT: Template: 4QNU.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 : 1132 -20320 -17.95 -89.52 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -17.95 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.192

(partial model without unconserved sides chains): PDB file : Tito_4QNU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QNU-query.scw PDB file : Tito_Scwrl_4QNU.pdb: