Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAFSSVLGAPGATGDVKYVKKKLIGTGSYGEAWLVERASDKAIFVAKTMDLGKMSSRDRTYAYSEIKCLASCHHPNIIKYIEDKEDNEHLLIVMEFADSGDLDRQIKARATDFKHFQEHEALFLFLQLCLALDHIHGHKMLHRDIKGANVLLTSTGLIKIGDFGFSHQYDDTVSGVVANTFCGTPYYLAPELWNNQRY-SKKADVWSLGVLLYEIMALKRPFTSTNMKGLMAKVLSGDYEPLPEVYSADFRDVVRKILVCDAAQRPSVRDIFRFPYVREGLKVFMHTMKKNSRIDNEVKDALMEHVTEILSSESVEVPKSTPVGQINKDVFFSGYLNKLKGGDNHSWKRRYLQVQKGHFIMSDKESDTEGKALSLEHIQSVCPVPVSTAKREHVFALHTTSGKSMWFEAASLENMEEWIHAIQCGLGVA 5EAK Chain:A ((21-264)) ----------------------KTIGKGNFAKVKLARHILTGKEVAVKIIDKTQLNSSSLQKLFREVRIMKVLNHPNIVKLFEVIETEKTLYLVMEYASGGEVFDYLVAHG----RMKEKEARAKFRQIVSAVQYCHQKFIVHRDLKAENLLLDADMNIKIADFGFS--------------FCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYR-IPFYMSTDCENLLKKFLILNPSKRGTLEQIMK------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5EAK.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 : 1071 -99235 -92.66 -427.73 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -92.66 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_5EAK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5EAK-query.scw PDB file : Tito_Scwrl_5EAK.pdb: