Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIEKFSVEKVLSVHRWTPTLFSFTMTRPSHFKFTAGQFARIGLKVGDELIVRAYSVVSSPFDETLEFFSIVVPDGAFTSNLQHLKVGDELYLEKIPYGYLTLARYQQPLPHDLWLLATGTGLAPFLSMLQDFETWSNYQKINLVYSVRTAAELAYVDRIQEIAETFGEGHLGFKFIPIITRDPSA-PLHERLPVLIENGELEKVAGLELSPASSHVMLCGNPQMVDDTKEALK--RCGLTMNRRGEGNIAVENYW 1FDR Chain:A ((8-248)) ---------KVTKVQNWTDALFSLTVHAPV-LPFTAGQFTKLGLEI---RVQRAYSYVNSPDNPDLEFYLVTVPDGKLSPRLAALKPGDEVQVVSEAAGFFVLD--EVPHCETLWMLATGTAIGPYLSILRLGKDLDRFKNLVLVHAARYAADLSYLPLMQELEKRY-EGKL--RIQTVVSRETAAGSLTGRIPALIESGELESTIGLPMNKETSHVMLCGNPQMVRDTQQLLKETRQMTKHLRRRPGHMTAEHYW

General information: TITO was launched using: RESULT: Template: 1FDR.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 : 1317 -139796 -106.15 -594.87 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -106.15 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_1FDR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1FDR-query.scw PDB file : Tito_Scwrl_1FDR.pdb: