Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHKSNQELSVPKIVGDFKVYNVSGSPFEVPSKYTLLKILGMGAYGIACSCLDGDTGEKVSIKKCRDVFRDVEDGKRVLREIDMMRFFHHENLLNVVNILPPLKREYHSFEDVYVVTPLMDVDMNVVLRSRQVLEESHMQYFVYQILRGLKYLHSANVAHRDLKPANLVTNISCELKIIDFGLSRSVDVPYSELTDYVITRWYRPPELLLENTNYSTAVDIWSVGCIFAEMYNRKPVFPGRNTMDQLRMIAQHIGKPPASIVEH------REALEKLNELPDGSLNIPKLVPGLAGNTEGIDFLSKMWTLDPSKRPTAADMLAHPYLAHLHDEEDEPTCPCPFLWAHESTPMGVSELRRAFWADIVDYNPSLEQATPPVTTAGGSSSKNGSGHHH 1OZ1 Chain:A ((20-362)) ----------------FYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTP-ARSLEEFNDVYLVTHLMGADLNNIV-----LTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTD---DEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMP--KMNFANVFIG--ANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVAD-PYDQSFESRDLLIDEWKSLTYDEVISFVP-------------------------

General information: TITO was launched using: RESULT: Template: 1OZ1.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 : 1632 -136242 -83.48 -409.14 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -83.48 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_1OZ1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1OZ1-query.scw PDB file : Tito_Scwrl_1OZ1.pdb: