Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIPNHPETETLQLTKVLHALSDPLRLELVKQLAEAKEKTCSTCADV-QVAKSTLSHHFKVLRESGIAQVRIEGKRRYYSLRAEDLEKAFPGLLEAVLNVDQDRW 3F72 Chain:A ((32-102)) -------------VSQILKAIADENRAKITYALCQDEELCVCDIANILGVTIANASHHLRTLYKQGVVNFRK-GKLALYSLGGE---------------------

General information: TITO was launched using: RESULT: Template: 3F72.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 : 243 -39956 -164.43 -579.07 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -164.43 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.714

(partial model without unconserved sides chains): PDB file : Tito_3F72.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3F72-query.scw PDB file : Tito_Scwrl_3F72.pdb: