Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIIGVDSVAKIVVVTSGKGGVGKTTTSASFATGLALRGHKTVVIDFDVGLRNLDLIMGCERRVVYDFVNVINNEARLQQALIRDKDIENLYILPASQTRDK-DALSDEGVARVIDELSQEFDYIICDSPAGIERGAILAMYHADEAIIVTNPEISSVRDSDRIIGMLDSKTKKVEQNEGRIRKHLCITRFNPERADRQEMLTIDDISKDILRVPTLGVIPECPSVLQASNEGKPVILYSE-TKAGQAYDDLVARFLGEDRPYRHITAQPKGWLARLFGA 1G3Q Chain:A ((2-236)) ---------GRIISIVSGKGGTGKTTVTANLSVALGDRGRKVLAVDGDLTMANLSLVLGVDDP-DVTLHDVLAGEANVEDAIYM-TQFDNVYVLPGAVDWEHVLKADPRKLPEVIKSLKDKFDFILIDCPAGLQLDAMSAMLSGEEALLVTNPEISCLTDTMKVGIVLKKAGL--------AILGFVLNRYGRSDRD----IPPEAA-EDVMEVPLLAVIPEDPAIREGTLEGIPAVKYKPESKGAKAFVKLAEEIEKL---------------------

General information: TITO was launched using: RESULT: Template: 1G3Q.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 : 1487 -66873 -44.97 -287.01 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -44.97 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_1G3Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1G3Q-query.scw PDB file : Tito_Scwrl_1G3Q.pdb: