Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVLVTGCLGQIGSELITRLRQELGSENVIATDIRMPEV-IEKNDIFEILDVMDYEKMRSIAEQYQVDTLIHLAALLSAVAEAKPQLAWNLNVTGLVNALEVAREFQLKFFTPSSIGAFGPNTPKDHTPQDTLQRPTTMYGVTKVAGELLCDYYYVKYGVDTRGVRFPGLISYATLPGGGTTDYAVDIYYSAIKEGKYTSFIDQGTSMDMMYMPDAIDAIIKLMNADPDRLVHRNAFNISAMSFDPEEIKASIQKIIPDFEMDYDVDPVRQSIAESWPNSLDVSCAQEEWGFSPKYDLDVMTKDMLEKLKEKLVETV 4YR9 Chain:E ((11-319)) PPRVLITGGLGQLGVGLANLLRKRFGKDNVILSDIRKPPAHVFHSGPFVYANILDYKSLREIVVNHRISWLFHYSALLSAVGEANVSLARDVNITGLHNVLDVAAEYNVRLFVPSTIGAFGPTSPRNPAPDLCIQRPRTIYGVSKVHTELMGEYYYYRYGLDFRCLRYPGIISADS-PGGGTTDYAVQIFHAAAKNGTFECNLEAGTRLPMMYISDCLRATLEVMEAPAERLSM-RTYNISAMSFTPEELAQALRKHAPDFQITYCVDPLRQAIAESWPMILDDSNARKDWGWKHDFDLPELVATMLNFH--------

General information: TITO was launched using: RESULT: Template: 4YR9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1702 -38874 -22.84 -126.62 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain E : 0.84 3D Compatibility (PKB) : -22.84 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.492

(partial model without unconserved sides chains): PDB file : Tito_4YR9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YR9-query.scw PDB file : Tito_Scwrl_4YR9.pdb: