Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQEEKLPKILIVEDDERLARLTQEYLIRNGLEVGVETDGNRAIRRIISEQPDLVVLDVMLPGADGLTVCREVRPHYHQPILMLTARTEDMDQVLGLEMGADDYVAKPVQPRVLLARIRALLRRTDKTVEDEVAQRIEFDDLVIDNGGRSVTLNGELVDFTSAEYDLLWLLASNAGRILSREDIFERLRGIEYDGQDRSIDVRISRIRPKIGDDPENPKRIKTVRSKGYLFVKETNGL 4KNY Chain:A ((3-226)) ------MANVLIVEDEQAIRRFLRTALEGDGMRVFEAETLQRGLLEAATRKPDLIILDLGLPDGDGIEFIRDLRQWSAVPVIVLSARSEESDKIAALDAGADDYLSKPFGIGELQARLRVALRRH----APD--PLVKFSDVTVDLAARVIHRGEEEVHLTPIEFRLLAVLLNNAGKVLTQRQLLNQVWGPNAVEHSHYLRIYMGHLRQKLEQDPARPRHFITETGIGYRFM------

General information: TITO was launched using: RESULT: Template: 4KNY.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 : 1005 -135092 -134.42 -614.05 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -134.42 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_4KNY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KNY-query.scw PDB file : Tito_Scwrl_4KNY.pdb: