Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLIEHYVALVKTGCAEYGQMNEMTLTEIADCLFCTERNAKLILHKLENSNWIIRESGAGRGRKSKIAFLRRPEELLLQTAKEYTMSGKLKKAKELLQQYQSAFPGLQNEYNMWLSEVFGFVTETGENGAKDVLRLFITPESVSSLDPCQIFLRSEGHFVKQIFDTLFTFDSDMQEPKPHLVHGWEEVGKKQWRFFLRKGVLFHNGQPLTSRDVAFTFQRFLEL-ADNPYKWLLH-----GVKQVLE-KGP-----------YCVELILDKPNALLPYALCDERLSILP--AEQGGGKNGTGPFQMNQQHSGML---------VLEANERYFKGR----------PYLDRVEFVFSEQAGEM----NGFTIQEKQTCPEQQTVFDERHVQ------YLSLNLKKKGPLQHRSFRKALRLLISSERLVREAGGHRRIPVTSFLHP-------SPFEWEGVS-------PSELLKKSGYEGE---TI-VLYTFSETDHR----EDAEWIQNICAQHGIRLTLQFCDAADLRRPEIVQMADIIHDSATFYQDSEFGFLHLLLSENSFLYQHLSEKLTQICSGMTERMFSMPDRCSRINILRDIDRQMIQELNAIPLYQNVLQVTSSKNVKGLVLDEEGWIDLYSVWLSK 3TCG Chain:A ((24-484)) ----------------------------------------------------------------------------------------------------------------------------------------------VQSLDPHKIEGVPESNISRDLFEGLLVSDLDGH-PAPGVAESWDNKDAKVWTFHLRKDAKWSDGTPVTAQDFVYSWQRSVDPNTASPYASYLQYGHIAGIDEILEGKKPITDLGVKAIDDHTLEVTLSEPVPYFYKLLVHPSTSPVPKAAIEKFGEKWTQPGNIVTNGAYTLKDWVVNERIVLERSPTYWNNAKTVINQVTYLPIASEVTDVNRYRSGEIDMTNNSMPIELFQKL--KKEIPDEVHVDPYLCTYYYEIN-NQKPPFNDVRVRTALKLGMDRDIIVNKVKAQGNMPAYGYTPPYTDGAKLTQPEWFGWSQEKRNEEAKKLLAEAGYTADKPLTINLLYNTSDLHKKLAIAASSLWKKNI----GVNVKLVNQEWKTFLDTRHQGTFDVARAGWCADYNEPTSFLNTMLSNSSMNTAHY--KSPAFDSIMAETL-KVTDEAQRTALYTKAEQQLDKDSAIVPVY--------------------------------

General information: TITO was launched using: RESULT: Template: 3TCG.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 : 1895 -127137 -67.09 -325.99 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -67.09 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.385

(partial model without unconserved sides chains): PDB file : Tito_3TCG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TCG-query.scw PDB file : Tito_Scwrl_3TCG.pdb: