Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPGRSCVALVLLAAAVSCAVAQHAPPWTEDCRKSTYPPSGPTYRGAVPWYTINLDLPPYKRWHELMLDKAPVLKVIVNSLKNMINTFVPSGKIMQVVDEKLPGLLGNFPGPFEEEMKGIAAVTDIPLGEIISFNIFYELFTICTSIVAEDKKGHLIHGRNMDFGVFLGWNINNDTWVITEQLKPLTVNLDFQ--------------RNNKTVFKASSFAG--YVGMLTGFKPGLFSLTLNERFSINGGYLGILEWILGKKDVMWIGFLTRTVLENSTSYEEAKNLLTKTKI----------LAPAYFILGGNQSGEGCVITRDRKESLDVYELDAKQGRWYVVQTNYDRW--KHP------------------------------------F--FLDDRRTPAKMCLNRTS---QENISFETMYDVLSTK----PVL------NKLTVYTTLIDVTKGQFETYLRDCPDPCIGW 3PVA Chain:B ((1-296)) ----------------------------------------------------------------------------------------------------------------------------------------------CSSLSIRTTDDKSLFARTMDFTMEP---------------DSK--VIIVPRNYGIRLLEKENVVINNSYAFVGMGSTDITSPVLYDGVNEKGLMGAMLYYAT-FATY---ADEPKKGTTGINPVYVISQVLGNCVTVDDVIEKLTSYTLLNEANIILGFAPPLHYTFT-DASGESIVIEPDKTGI-TIHR------KTIGVMTNSPGYEWHQTNLRAYIGVTPNPPQDIMMGDLDLTPFGQGAGGLGLPGDFTPSARFLRVAYWKKYTEKAKNETEGVTNLFHILSSVNIPKGVVLTNEGKTDYTIYTSAMCAQSKNYYFKLYDN-------

General information: TITO was launched using: RESULT: Template: 3PVA.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 : 1076 1034 0.96 4.76 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : 0.96 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.372

(partial model without unconserved sides chains): PDB file : Tito_3PVA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PVA-query.scw PDB file : Tito_Scwrl_3PVA.pdb: