Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEHDYLISLLVIVGIDLILGGDNAVVIAMASRHLPDKQRQQAIILGTFIAVAMRIGLTSAAVYLLNIPFLQCAGGIFLLYLGYQLLIEKKDTKHIKSSTSLWRAIRTIVLAD----LFMSLDNVIAVAGASHGEFSLVVIGLCVSVPVIIWGSKLIHIALEKIPLLIYAGSGLLAYT-GGEMIVRDKKLSLFMAQHGTVETLL-----PILTVAFVILASIYYQQVEK 1KKE Chain:A ((250-455)) -------------EQSYVASAVTPLRLNSSTKVLDMLIDSSTLEINSSGQLTVRSTSPN-----LRYPIADVSGGIGMSPNYRFRQSMWIGIVSYSGSGLNWRVQVNSDIFIVDDYIHICLPAFDGFSIADGGDLSLNFVTGLLPP----LLTGDTEPAFHNDVVTYGAQTVAIGLSSGGAPQYMSKNLWVEQWQDGVLRLRVEGGGSITHSNSKWPAMTVSYPRSFT

General information: TITO was launched using: RESULT: Template: 1KKE.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 : 785 -112860 -143.77 -575.82 target 2D structure prediction score : 0.28 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -143.77 2D Compatibility (Sec. Struct. Predict.) : 0.28 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.026

(partial model without unconserved sides chains): PDB file : Tito_1KKE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KKE-query.scw PDB file : Tito_Scwrl_1KKE.pdb: