Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDALVLRDLSKTYRNGFQALKGINLTVPEGEFYALLGPNGAGKSTTIGIISSLTKKTSGTVEIFGHNLDTHPSLAKQQLGVVPQEFNFGQFEKAFDILVTQAGYYGIHRKIAEKRAEHYLEKLGLWEKRNIQARMLSGGMKRRLMIARAMMHEPKLLILDEPTAGVDIELRRSMWDFLTEMNEN-GTSIILTTHYLEEAEMLCRQIAIIDRGVIKEDTSMKSFLNQLSEESFIFDLAEPIAPLQLNIIGVKFNLIDGSTLEVTMDKAHTLNDLFQLLESQGIRVRSMRNKSNRLEELFVKMVEKNLEGAAK------------------------------------------ 1Z47 Chain:A ((11-355)) GSMTIEFVGVEKIYPGGARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTDLPPQKRN-VGLVFQNYALFQHMTVYDNVSFGLREKRVPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLHEGNVEQFGTPEEVYEK-PGTLFVASFIGESNVWTRAVQNGRIEV---AGAALPVDPAVSEGSEVAV----VVRPKDVELQPASEREAHAQVVRSAFKGSYSACWIRTKDGEVWEVHVPSADRHRWSPGAWVHMNVTRWFIFPR

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 A - contact count / total energy / energy per contact / energy per residue : 1445 -102960 -71.25 -340.93 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -71.25 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.406

(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: