Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQPAIRYRLIKKEKHTGARLGELITPHGTFPTPMFMPVGTLATVKTMSPEELKEMGAGVILSNTYHLWLRPGEDLVEEAGGLHKFMNWDQPILTDSGGFQVFSLSDMRNIEEEGVHFKNHLNGSRMFLSPEKAINIQNKLGSDIMMSFDECPPFDESYDYVKKSVERTSRWAERGLKAHAN----PDRQGLFGIIQGAGFEDLRRQSAKDLVGMDFPGYSIGGLSVGEP---KSEMNRVLEFTTPLIPENKPRYLMGVGAADSLIDGVIRGVDMFDCVLPTRIARNGTCMTSQGRLVVKNAKYAHDFRPIDEKCDCYTCKNYTRAYIRHLIKCDETFGIRLTSYHNLYFLLNLMKQVRQAIMDDNLLEFREAFFEEYGFNKENAKSFLKENLLKIK 1K4G Chain:A ((11-382)) --RPRFSFSIAAREGK--ARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSLSSLTKQSEEGVTFKSHLDGSRHMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAV---GEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFRARYF------------------

General information: TITO was launched using: RESULT: Template: 1K4G.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2179 -74594 -34.23 -204.37 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -34.23 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_1K4G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1K4G-query.scw PDB file : Tito_Scwrl_1K4G.pdb: