Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVLVTGCLGQIGSELITRLRQELGSENVIATDIRMPEVIEKNDIFEILDVMDYEKMRSIAEQYQVDTLIHLAALLSAVAEAKPQLAWNLNVTGLVNALEVAREFQL-KFFTPSSIGAFGPNTPKDHTPQDTLQRPTTMYGVTKVAGELLCDYYYVKYGVDTRGVRFPGLISYATLPGGGTTDYAVDIYYSAIKEGKYTSFIDQGTSMDMMYMPDAIDAIIKLMNADPDRLVHRNAFNISAMSFDPEEIKASIQKIIPDFEMDYDVDPVRQSIAESWPNSLDVSCAQEEWGFSPKYDLDVMTKDMLEKLKEKLVETV 3WMX Chain:B ((27-333)) --KILIVGANGQIGSELALALAERYGRTNVITSDV-VPTGRHVHLTHEMLNATDRGELATVVERHGITQVYLLAAALSATGEKAPQWAWNLNMTSLLNVLELARQTGLERVFWPSSIAAFGPTTPAGQTPQKTVMEPTTVYGISKQAGEGWCRWYHANHGVDVRSVRYPGLISHKTPPGGGTTDYAVDIFHAAVTGEPYTCFLKEDEALPMMYMPDAIRATIELMEAPADKLSERGSYNIAGMSFTPAQIAAAIREQVPGFQIRYEPD-YRQAIAQGWPDSIDDSVARADWGWKAQYGLKEMVADMLANLK-------

General information: TITO was launched using: RESULT: Template: 3WMX.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 : 1783 -65881 -36.95 -215.30 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -36.95 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_3WMX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WMX-query.scw PDB file : Tito_Scwrl_3WMX.pdb: