Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MQKFMNGWVNGFIGVAIFAGSLPATRVAVTGF-EPGFLTAARAVIAGVLGLILIFLLKEKKPAKQDWWPLAIVALGVVVGFPLFTALALQYMNAAHSIVFVSLLPLATAIFAVVRGGEKPNLFFWIFAVLGSLVVFTY-MFF-LSGEASFGIGDLYMLIAIILCGFGYAEGGVLSKKIGGWQVICWALILALPIMLLATLFYMPVSFQDVSTSAVAGLVYVSLFSMLIGFFFWYKGLAQ-GGIAAISQ-LQLLQPLMGLAIAALLLHEHVSWSMLMVTAVT-ILCVAAAKKFA 1QAG Chain:A ((31-255)) DVQKKTFTKWINARFS---------KSGKPPINDMFTDLKD----------GRKLLDLLEGLTGTSLPKER------------GSTRVHALNNVNRVLQVLHQNNVELVNIGGTDIVDGNHKLTLGLLWSIILHWQVKDVMKDVMSDLQQTNSEKILLSWVRQTTRP------------------------------------YSQVNVLNFTTSWTDGLAFNAVLHRHKPDLFSWDKVVKMSPIERLEHAFSKAQTYLG--IEKLLDPEDVAVRLPDKKSIIMY-LTSLFEVLP

General information: TITO was launched using: RESULT: Template: 1QAG.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 : 785 -55316 -70.47 -254.91 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -70.47 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.239

(partial model without unconserved sides chains): PDB file : Tito_1QAG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QAG-query.scw PDB file : Tito_Scwrl_1QAG.pdb: