Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSENEQFSQMEAKARARMKERGVEVSDIAELVFFLQKKYHPD-LTIDECTLNVNRVLAKREVQNAILTGIEL-DVLAEQKKLSEPLQTMLEIDESLYGVDEVLAFSIVNIYGSIGFTNYGYIDKEKPGILKRLNDKSTGECHTFLDDIVGAISAAASSRLAHRARHTE 3GUB Chain:A ((46-127)) ------------KRRTKSSRRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILIGE----LVAGGELFDFLAEKESLTE------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GUB.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 : 126 5571 44.21 84.40 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 44.21 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_3GUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GUB-query.scw PDB file : Tito_Scwrl_3GUB.pdb: