Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGSFTVKKVLNNNVLIASHHKYSEVVLIGKGIGFGKKQDDVIEDKGYDKMFILKDEKEQKQFKKLLDYVDEKLVDISNDVIYHISNRTNHSLN--EHIHIALTDHIAFAIKRQQQGFDMK-NPFLMETQSLYPEEYQIAKEVIDMINEKAGLCLPEGEIGFIALHIHSALTNRPLSEVNQHSQLMAQLVEVIEDSFQMKVNKESVNYLRLIRHIRFTIERIKKEEPTKEPEKLMLLLKNEYPLCYNTAWKLIKILQQTLKKPVHEAEAVYLTLHLYRLTNKIS 4R6I Chain:A ((291-386)) --------------------------------------------------------------------------MPLAKEITKGIEHKLQLGINYDESFLTYVVLIIKKALDKNFIQYYNYNIKFIRHIKQRHPNTFNTIQECISNLNYTVYSHFDCYEISLLTMHFETQ------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R6I.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 : 298 -59398 -199.32 -638.69 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -199.32 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.402

(partial model without unconserved sides chains): PDB file : Tito_4R6I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R6I-query.scw PDB file : Tito_Scwrl_4R6I.pdb: