Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKVEQNEGLVEKLVAVDRVAKVVKGGRIFSFTALTVVGDGNGRVGFGRGKAREVPAAISKALEAARRNMITVDLAGTTLQHPVNARHGASRVYMQPASEGTGVIAGGAMRAVLEAAGVHNVLAKCYGSTNAANVVNATFKGLRDMTSPEKVAAKRGKSVEEIQG 4A2I Chain:E ((10-158)) ---------LQEKLIAVNRVSKTVKGGRIFSFTALTVVGDGNGRVGFGYGKAREVPAAIQKAMEKARRNMINVALNNGTLQHPVKGVHTGSRVFMQPASEGTGIIAGGAMRAVLEVAGVHNVLAKAYGSTNPINVVRATIDGLENMNSPEMVAAKRGK-------

General information: TITO was launched using: RESULT: Template: 4A2I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 771 -86533 -112.23 -580.76 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain E : 0.91 3D Compatibility (PKB) : -112.23 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.415

(partial model without unconserved sides chains): PDB file : Tito_4A2I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A2I-query.scw PDB file : Tito_Scwrl_4A2I.pdb: