Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQPAIRYRLIKKEKHTGARLGELITPHGTFPTPMFMPVGTLATVKTMSPEELKEMGAGVILSNTYHLWLRPGEDLVEEAGGLHKFMNWDQPILTDSGGFQVFSLSDMRNIEEEGVHFKNHLNGSRMFLSPEKAINIQNKLGSDIMMSFDECPPFDESYDYVKKSVERTSRWAERGLKAHANPDRQG----LFGIIQGAGFEDLRRQSAKDLVGMDFPGYSIGGLSVGEPKSEMNRVLEFTTPLIPENKPRYLMGVGAADSLIDGVIRGVDMFDCVLPTRIARNGTCMTSQGRLVVKNAKYAHDFRPIDEKCDCYTCKNYTRAYIRHLIKCDETFGIRLTSYHNLYFLLNLMKQVRQAIMDDNLLEFREAFFEEYGFNKENAKSFLKENLLKIK 4GD0 Chain:A ((13-381)) ------RFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGFQVMSLSSLTKQSEEGVTFKSHLDGSRHMLSPERSIEIQHLLGSDIVMAFDEVTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFRARY-------------------

General information: TITO was launched using: RESULT: Template: 4GD0.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 : 2131 -77477 -36.36 -212.26 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -36.36 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_4GD0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GD0-query.scw PDB file : Tito_Scwrl_4GD0.pdb: