Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPGRSCVALVL-------LAAAVSCAVAQHAPPWTEDCRKSTYPPSGPTYRGAVPWYT---INLDLPPYKRWHELMLDKAPVLKVIVNSL---------KNMINTFV---PSGKIMQVVDEKLPGLLGNFPGPFEEEMKGIAAVTDIPLGEIISFNIFYELFTICTSIVAEDKKGHLIHGRNMDFGVFLGWNINNDTWVITEQLKPLTVNLDFQRNNKTVFKASSFAGYVGMLTG--FKPGLF-SLTLNERFSINGGYLGILEWILGKKDVMWIGFLTRTVLENSTSYEEAKNLLTKTKILAPAYFILGGNQSGEGCVITRDRKESLDVYELDAKQGR---WYVVQTNYDRWKHPFFLDDRR-------TPAKMCLNRTSQENISFETMYDVLSTKP-------------VLNKLTVYTTLIDVTKGQFETYLRDCPDPCIGW---------------------- 5LB8 Chain:D ((4-444)) -PERRVRSTLKKVFGFDSFKTPLQESATMAVVKGNKDVFVCMPTGAGKSLCYQLPALLAKGITIVVSPLIALIQDQVDHLLTLKVRVSSLNSKLSAQERKELLADLEREKPQTKILYITPEMAA------SSSFQPTLNSLVS------RHLLSYLVVDEAHCV-------SQWGHDFRPDYLRLGALRSRLGHAPCVALTATAT--------PQVQEDVFAALHLKKPVAIFKTPCFRANLFYDVQFKEL--ISDPYGNLKDFCLKACGIVYC--------RTREACEQLAIELSCRGVNAKAYHA-GLKASERTLVQNDWMEEKVPVIVATISFDKANVRFVAHWNIAKSMAGYYQESGRAGRDGKPSWCRLYYSRNDRDQVSFLIRKEVAKLQEKRGNKASDKATIMAFDALVTFCEELGCRHAAIAKYFGDALPACAKGCDHCQNPTAVRRRLEALERSSS

General information: TITO was launched using: RESULT: Template: 5LB8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1743 -11848 -6.80 -33.28 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain D : 0.66 3D Compatibility (PKB) : -6.80 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.203

(partial model without unconserved sides chains): PDB file : Tito_5LB8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LB8-query.scw PDB file : Tito_Scwrl_5LB8.pdb: