Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFLSQIDE---MLIGDLDLQ-------FVMPWEFEDLNPEAFREFNRELYAH-----RFDLDYESYSVDNDIDLHLSNYYSSCETNKLIPSNCFFKLVEYMLVVLESRSFTSLFSNCVEFYNTKYSNEYLTFFLNLFSTSKSEVARDNLRMYITEIFDDKRYWANNELFDDSLLFEENLQQLQIIRVM 3I44 Chain:A ((357-442)) LIQSGIDEGATLVTGGTGLPMGMERGYYVRPTVFADVKPH-MRIFREEIFGPVLSLLPFNTEDEAVTLANDTEYGLTNYIQSQDRSK-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3I44.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 : 231 5012 21.69 70.58 target 2D structure prediction score : 0.34 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 21.69 2D Compatibility (Sec. Struct. Predict.) : 0.34 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.127

(partial model without unconserved sides chains): PDB file : Tito_3I44.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I44-query.scw PDB file : Tito_Scwrl_3I44.pdb: