Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWRNASMNHSKRNDANDFDSMDEWLRQFFEDPFAWYDETLPIDLYETSQQYIIEADLTFLQPTQVTVTLSGCEFILTVKSS----------------GQTFEKQMMLPFYFNDKNIQVECENQILTVAVNKETEDGSSFSLQFPLS 3GLA Chain:A ((4-97)) --------------------------------------VPRVDIKEEVNHFVLYADLPGIDPSQIEVQMDKGILSIRGERKSESSTETERFSRIERRYGSFHRRFALPDSADADGITAAGRNGVLEIRIPKR--------------

General information: TITO was launched using: RESULT: Template: 3GLA.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 : 253 -13156 -52.00 -168.67 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -52.00 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.639

(partial model without unconserved sides chains): PDB file : Tito_3GLA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GLA-query.scw PDB file : Tito_Scwrl_3GLA.pdb: