Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAETISPRYSRILLKLSGEALSGNKDMGIDAQVLDQMSLSIAHLVGLGVQVGIVVGGGNLYRGSQLQKDGLVGRVTGDQMGMLATVMNGLAMRDALVRRNIRTRLMSALPIGTVVESYSSRDAIRHLSQGEVCVFVAGTGNPFFTTDTAACLRGIEIEANLILKATKVDGVYNKDPSKYEDAVKYDHLTFDQVLDEKLGVMDLTAICLCRDHNVPLQVFDMNKSGALLSVVMGEKEGTRVTK 4A7W Chain:B ((6-229)) -------KNKRVLVKFSGEALAGDNQFGIDIHVLDHIAKEIKSLVENDIEVGIVIGGGNII---------IIRRTSGDYMGMLATVINAVAMQEALEHIGLDTRVQSAIEIKEICESYIYRKAIRHLEKGRVVIFGAGTGNPFFTTDTAATLRAIEIGSDLIIKATKVDGIYDKDPNKFKDAKKLDTLSYNDALIGDIEVMDDTAISLAKDNKLPIVVCNMFKKGNLLQVI-----------

General information: TITO was launched using: RESULT: Template: 4A7W.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1101 -178146 -161.80 -828.58 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -161.80 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_4A7W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A7W-query.scw PDB file : Tito_Scwrl_4A7W.pdb: