Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQPAIRYRLIKKEKHTGARLGELITPHGTFPTPMFMPVGTLATVKTMSPEELKEMGAGVILSNTYHLWLRPGEDLVEEAGGLHKFMNWDQPILTDSGGFQVFSLSDMRNIEEEGVHFKNHLNGSRMFLSPEKAINIQNKLGSDIMMSFDECPPFDESYDYVKKSVERTSRWAERGLKAHANPDRQG----LFGIIQGAGFEDLRRQSAKDLVGMDFPGYSIGGLSVGEPKSEMNRVLEFTTPLIPENKPRYLMGVGAADSLIDGVIRGVDMFDCVLPTRIARNGTCMTSQGRLVVKNAKYAHDFRPIDEKCDCYTCKNYTRAYIRHLIKCDETFGIRLTSYHNLYFLLNLMKQVRQAIMDDNLLEFREAFFEEYGFNKENAKSFLKENLLKIK 4Q8Q Chain:A ((15-383)) ------RFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSL---TKQSEEGVTFKS----SRHMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGCGKPDDIVGAVERGIDMFDCV--------GQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFRARY-------------------

General information: TITO was launched using: RESULT: Template: 4Q8Q.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 : 2055 -85490 -41.60 -244.26 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -41.60 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.553

(partial model without unconserved sides chains): PDB file : Tito_4Q8Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q8Q-query.scw PDB file : Tito_Scwrl_4Q8Q.pdb: