Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANALEINNLKKIYGSGVEALRGIDLSVKEGDFYALLGPNGAGKSTTIGIITSLVNKTSGKVNVFGYDLDKDLVRAKQQIGLVPQEFNFNPFETVQQIVVNQAGYYGVSRKEAMKRSEKYLKQSNLWEKRNVRARMLSGGMKRRLMIARALMHEPRLLILDEPTAGVDIELRREMWEFLRELNE-NGTTIILTTHYLEEAEMLCRNIGIIQSGELIENTSMKELLSKLQFETFIFDLAPYDTKPVIEGYACTFEDEQTIAVEVERNQGVNGIFDQLTRQGIKVLSMRNKSNRLEELFLKITEENNHTEEKNV 1Z47 Chain:B ((14-237)) ---TIEFVGVEKIYPGGARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTDLP-PQKRNVGLVFQNYALFQHMTVYDNVSFGLREKRVPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLHEGNVEQFGTPEEVYEKP------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1Z47.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 : 1142 -104855 -91.82 -470.20 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -91.82 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_1Z47.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Z47-query.scw PDB file : Tito_Scwrl_1Z47.pdb: