Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKPKYKRIVLKLSGEALAGEQGNGINPTVIQSIAKQVKEIAELEVEVAVVVGGGNLWRGKTGSDLGMD-RATADYMGMLATVMNSLALQDSLETLGIQSRVQTSIEMRQVAEPYIRRKAIRHLEKKRVVIFAAGTGNPYFSTDTTAALRAAEIEADVILMAKNNVDGVYNADPRKDESAVKYESLSYLDVLKDGLEVMDSTASSLCMDNDIPLIVFSIMEEGNIKRAVIGE-SIGTIVRGK 4A7W Chain:A ((6-240)) ----KNKRVLVKFSGEALAGDNQFGIDIHVLDHIAKEIKSLVENDIEVGIVIGGGNII---------IIRRTSGDYMGMLATVINAVAMQEALEHIGLDTRVQSAIEIKEICESYIYRKAIRHLEKGRVVIFGAGTGNPFFTTDTAATLRAIEIGSDLII-KATKVDGIYDKDPNKFKDAKKLDTLSYNDALIGDIEVMDDTAISLAKDNKLPIVVCNMFKKGNLLQVIKHQQGVFSMVK--

General information: TITO was launched using: RESULT: Template: 4A7W.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 : 1208 -163879 -135.66 -731.60 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -135.66 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_4A7W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A7W-query.scw PDB file : Tito_Scwrl_4A7W.pdb: