Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVLVTGCLGQIGSELITRLRQELGSENVIATDIR-MPEVIEKNDIFEILDVMDYEKMRSIAEQYQVDTLIHLAALLSAVAEAKPQLAWNLNVTGLVNALEVAREFQLKF-FTPSSIGAFGPNTPKDHTPQDTLQRPTTMYGVTKVAGELLCDYYYVKYGVDTRGVRFPGLISYATLPGGGTTDYAVDIYYSAIKEGKYTSFIDQGTSMDMMYMPDAIDAIIKLMNADPDRLVHRNAFNISAMSFDPEEIKASIQKIIPDFEMDYDVDPVRQSIAESWPNSLDVSCAQEEWGFSPKYDLDVMTKDMLEKLKEKLVETV 2YY7 Chain:B ((4-311)) --KILIIGACGQIGTELTQKLRKLYGTENVIASDIRKLNTDVVNSGPFEVVNALDFNQIEHLVEVHKITDIYLMAALLSATAEKNPAFAWDLNMNSLFHVLNLAKAKKIKKIFWPSSIAVFGPTTPKENTPQYTIMEPSTVYGISKQAGERWCEYYHNIYGVDVRSIRYPGLISWSTPPGGGTTDYAVDIFYKAIADKKYECFLSSETKMPMMYMDDAIDATINIMKAPVEKIKIHSSYNLAAMSFTPTEIANEIKKHIPEFTITYEPD-FRQKIADSWPASIDDSQAREDWDWKHTFDLESMTKDMIEHL--------

General information: TITO was launched using: RESULT: Template: 2YY7.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 : 1821 -41905 -23.01 -136.94 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -23.01 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_2YY7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YY7-query.scw PDB file : Tito_Scwrl_2YY7.pdb: