Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEQPIRYEFIKECKQTGARLGKVHTPHGSFETPVFMPVGTLATVKTMSPEELKAMDAGIILSNTYHLWLRPGQDIVKEAGGLHKFMNWDRAILTDSGGFQVFSLSKFRNIEEEGVHFRNHLNGDKLFLSPEKAMEIQNALGSDIMMAFDECPPYPAEYDYMKRSVERTSRWAERCLNAHNRQDEQG----LFGIVQGGEYEDLRTQSAKDLISLDFPGYAIGGLSVGEPKDVMNRVLEFTTPLLPKDKPRYLMGVGSPDALIDGAIRGVDMFDCVLPTRIARNGTVFTAEGRLNMKNAKFERDFRPIDEECDCYTCKNYTRAYIRHLIRCNETFGLRLTTYHNLHFLLHLMEQVRQAIREDRLGDFREEFFERYGYNKPNAKSF 4KWO Chain:A ((15-383)) ------RFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAA-------------GADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSLS--TKQSEEGVTFK-------HMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFRARY----------

General information: TITO was launched using: RESULT: Template: 4KWO.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 : 1999 -80347 -40.19 -234.25 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -40.19 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_4KWO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KWO-query.scw PDB file : Tito_Scwrl_4KWO.pdb: