Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHKSNQELSVPKIVGDFKVYNVSGSPFEVPSKYTLLKILGMGAYGIACSCLDGDTGEKVSIKKCRDVFRDVEDGKRVLREIDMMRFFHHENLLNVVNILPPLKREYHSFEDVYVVTPLMDVDMNVVLRSRQVLEESHMQYFVYQILRGLKYLHSANVAHRDLKPANLVTNISCELKIIDFGLSRSVDVPYSELTDYVITRWYRPPELLLENTNYSTAVDIWSVGCIFAEMYNRKPVFPGRNTMDQLRMIAQHIGKPPASIVEH------REALEKLNELPDGSLNIPKLVPGLAGNTEGIDFLSKMWTLDPSKRPTAADMLAHPYLAHLHDEEDEPTCPCPFLWAHESTPMGVSELRRAFWADIVDYNPSLEQATPPVTTAGGSSSKNGSGHHH 3FLS Chain:A ((20-362)) ----------------FYRQELNKTIWEVPERYQNLSPVGS----SVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTP-ARSLEEFNDVYLVTHLMGADLNNIVKC-QKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGL--HTD---DEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMP--KMNFANVFIG--ANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVAD-PYDQSFESRDLLIDEWKSLTYDEVISFVP-------------------------

General information: TITO was launched using: RESULT: Template: 3FLS.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 : 1599 -143303 -89.62 -432.94 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -89.62 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_3FLS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FLS-query.scw PDB file : Tito_Scwrl_3FLS.pdb: