Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQPAIRYRLIKKEKHTGARLGELITPHGTFPTPMFMPVGTLATVKTMSPEELKEMGAGVILSNTYHLWLRPGEDLVEEAGGLHKFMNWDQPILTDSGGFQVFSLSDMRNIEEEGVHFKNHLNGSRMFLSPEKAINIQNKLGSDIMMSFDECPPFDESYDYVKKSVERTSRWAERGLKAHANPDRQG----LFGIIQGAGFEDLRRQSAKDLVGMDFPGYSIGGLSVGEPKSEMNRVLEFTTPLIPENKPRYLMGVGAADSLIDGVIRGVDMFDCVLPTRIARNGTCMTSQGRLVVKNAKYAHDFRPIDEKCDCYTCKNYTRAYIRHLIKCDETFGIRLTSYHNLYFLLNLMKQVRQAIMDDNLLEFREAFFEEYGFNKENAKSFLKENLLKIK 3SM0 Chain:A ((13-381)) ------RFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSL---TKQSEEGVTFK-----SRHMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFRARY-------------------

General information: TITO was launched using: RESULT: Template: 3SM0.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 : 2145 -72874 -33.97 -204.13 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -33.97 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_3SM0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SM0-query.scw PDB file : Tito_Scwrl_3SM0.pdb: