Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRGRTKMNKLNILFVCGAGLGSSFAAQMSAEDVLNKLGVEAKLDHCDISSAV--SMKPDVIITAENFRSQFEKFAVDPKTAMIYLKNI---VSKNEIEEKITPVLQDKGVI 5GQS Chain:A ((1-90)) ---------MKQVLVACGAGIATSTVVNNAIEEMAKEHNIKVDIKQIKITEVGPYEDTADLLVTTAMTKKEYK-------FPVINARNFLTGIGIEETKQQILTEL------

General information: TITO was launched using: RESULT: Template: 5GQS.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 : 312 -24881 -79.75 -292.72 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -79.75 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_5GQS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GQS-query.scw PDB file : Tito_Scwrl_5GQS.pdb: