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 3TCH Chain:A ((49-509)) ----------------------------------------------------------------------------------------------------------------------------------------------VQSLDPHKIEGVPESNISRDLFEGLLVSDLDGH-PAPGVAESWDNKDAKVWTFHLRKDAKWSDGTPVTAQDFVYSWQRSVDPNTASPYASYLQYGHIAGIDEILEGKKPITDLGVKAIDDHTLEVTLSEPVPYFYKLLVHPSTSPVPKAAIEKFGEKWTQPGNIVTNGAYTLKDWVVNERIVLERSPTYWNNAKTVINQVTYLPIASEVTDVNRYRSGEIDMTNNSMPIELFQKL--KKEIPDEVHVDPYLCTYYYEIN-NQKPPFNDVRVRTALKLGMDRDIIVNKVKAQGNMPAYGYTPPYTDGAKLTQPEWFGWSQEKRNEEAKKLLAEAGYTADKPLTINLLYNTSDLHKKLAIAASSLWKKNI----GVNVKLVNQEWKTFLDTRHQGTFDVARAGWCADYNEPTSFLNTMLSNSSMNTAHY--KSPAFDSIMAETL-KVTDEAQRTALYTKAEQQLDKDSAIVPVY--------------------------------

General information: TITO was launched using: RESULT: Template: 3TCH.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 : 1761 -137041 -77.82 -351.39 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -77.82 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.364

(partial model without unconserved sides chains): PDB file : Tito_3TCH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TCH-query.scw PDB file : Tito_Scwrl_3TCH.pdb: