Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIIVSGQLLRPQDIENWQIDQDLNPLLKEMIETPVQFDYHSIAELMFELKLRMNIVAAAKTLHKSGAKFATFLKTYGNTTYWRVSPEGALELKYRMPPSKAIRDIAENGPFYAFECATAIVIIYYLALIDTIGEDKFNASFDRIILYDWHYEKLPIYTETGHHFFLGDCLYFKNPEFDPQKAQWRGENVILLGEDKYFAHGLGILNGKQIIDKLNSFRKKGALQSAYLLSQATRLDVPSLFRIVR 4PA5 Chain:A ((1-245)) MIIVSGQLLRPQ---NWQIDQDLNPLLKEMIETPVQFDYHSIAELMFELKLRMNIVAAAKTLHKSGAKFATFLKTYGNTTYWRVSPEGALELKYRMPPSKAIRDIAENGPFYAFECATAIVIIYYLALIDTIGEDKFNASFDRIILYDWHYEKLPIYTETGHHFFLGDCLYFKNPEFDPQKAQWRGENVILLGEDKYFAHGLGILNGKQIIDKLNSFRKKGALQSAYLLSQATRLDVPSLFRIVR

General information: TITO was launched using: RESULT: Template: 4PA5.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 : 1175 -192309 -163.67 -794.67 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 1.00 3D Compatibility (PKB) : -163.67 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 1.00 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_4PA5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PA5-query.scw PDB file : Tito_Scwrl_4PA5.pdb: