Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIMLFLAMTSILSACQPNYTGKYIEIGDTLTDYTKECFKENEIPYKYEKGKLYIPEDAFDTAIYTCS 4MRD Chain:A ((77-106)) ----------------CAANHTGVYILVTSNTSHYDTYCFNASAPP-----------------------

General information: TITO was launched using: RESULT: Template: 4MRD.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 : 11 -1853 -168.45 -61.77 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -168.45 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_4MRD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MRD-query.scw PDB file : Tito_Scwrl_4MRD.pdb: