Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLFIDGDGSPVKEDVIKLGESYGLDVVIVTSVDHYTTKEYANHVQIVYVDRGADSADYK-------IVGMVKKNDFLITQDYGLASLVLPKGVRVFHHSGKEFDEANI---GTLLEQRYHSGKLRKAGIRTKGPKPFTEKDHMSFRQALKKAID 4AYG Chain:A ((780-886)) --------------------------VTVTRSDDHGTTWEVSPIKNVVYITNTIGGGEYQKKYGGEFLDTLQKEYPQLFSQVYPVTQTTIDPSVKIKEWSAKYFNGTNILHRGAGYVLRSNDGKYYNLGTSTQ----------------------

General information: TITO was launched using: RESULT: Template: 4AYG.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 : 207 -3776 -18.24 -38.92 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -18.24 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.073

(partial model without unconserved sides chains): PDB file : Tito_4AYG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYG-query.scw PDB file : Tito_Scwrl_4AYG.pdb: