Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTETTIQGLAASLNPARAARKIIGFVPTMGNLHEGHLTLVREAKKLCDVVVVSIFVNPTQFGPGEDFDNYPRTLEQDSRLLADVGCDIIFAPSVEQMYGTQPRLTNISVSQITDDLCGSSRPGHFDGVALVVTKLFNIVQPNYAFFGQKDYQQLAVIRQFVQDLNIPLEVIGVPIVRAEDGLALSSRNGYLTPEQRQVAPVIYQGLKQAEEQLHQGKD-LQQVLADLKTLLTDNG-FVVDYVEARQPNLLAASQ-FDRDIVLFVAAKLGGTRLIDNLQVAFTPQ 3MXT Chain:A ((4-282)) MQVITSVKEAKQIVKDWKSHQLSIGYVPTMGFLHDGHLSLVKHAKT-QDKVIVSIFVNPMQFGPNEDFSSYPRDLERDIKMCQDNGVDMVFIPDATQMYLK-NFSTYVDMNTITDKLCGAKRPGHFRGVCTVLTKFFNILNPDIVYMGQKDAQQCVVVRHMVDDLNFDLKIQICPIIREEDGLAKSSRNVYLSKEERKASLAISQSIFLAEKLVREGEKNTSKIIQAMKDILEKEKLIKIDYIELVDFNTMENIENITDNVLGAVAAFVGKTRLIDNFLVQ----

General information: TITO was launched using: RESULT: Template: 3MXT.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 : 1458 -145057 -99.49 -525.57 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -99.49 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.616

(partial model without unconserved sides chains): PDB file : Tito_3MXT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MXT-query.scw PDB file : Tito_Scwrl_3MXT.pdb: