Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQSRCNSIKDHLEFGSMNNMKYTYKPNYFFFAHKLV---LFLKDYLLKH----------PTEQNTTFNLQTIYDVFSHD----LASSTTNLEGILNIAD-----------------EYVLETEEGLLPLISS------------HSINLKNHVLSLEFSPKALTSLLSGRSLVNPKAA------- 5KCI Chain:A ((16-199)) --GWKWEQIKEIIESGELARLKRSRQMTDKYHEHKKRTAGLDMNQYVLQKLGWSLDEPQLENAAAKAFSSSTLYAVRANDFPYNFEPGVVHLVLWSKVALPVHSPDKAVREAARARMNAFLQAQPLLRPLLSSGHVAWFVNYPELQSVARIFHAHVLLFFPRERYSAEQVKTTVDDILSHGFEPLA

General information: TITO was launched using: RESULT: Template: 5KCI.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 : 322 -6091 -18.91 -46.49 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -18.91 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.148

(partial model without unconserved sides chains): PDB file : Tito_5KCI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KCI-query.scw PDB file : Tito_Scwrl_5KCI.pdb: