Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGSFTVKKVLNNNVLIASHHKYSEVVLIGKGIGFGKKQDDVIEDKGYDKMFILKDEKEQKQFKKLLDYVDEKLVDISNDVIYHISNRTNHSLNEHIHIALTDHIAFAIKRQQQGFDMKNPFLMETQSLYPEEYQIAKEVIDMINEKAGLCLPEGEIGFIALHIHSALTNRPLSEVNQHSQLMAQLVEVIEDSFQMKVNKESVNYLRLIRHIRFTIERIKKEEPTKEPEKLMLLLKNEYPLCYNTAWKLIKILQQTLKKPVHEAEAVYLTLHLYRLTNKIS 3GWH Chain:B ((11-106)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QHSQLMAQLVEVIEDSFQMKVNKESVNYLRLIRHIRFTIERIKKEEPTKEPEKLMLLLKNEYPLCYNTAWKLIKILQQTLKKPVHEAEAVYLTLHL--------

General information: TITO was launched using: RESULT: Template: 3GWH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 198 -38448 -194.18 -400.50 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -194.18 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.732

(partial model without unconserved sides chains): PDB file : Tito_3GWH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GWH-query.scw PDB file : Tito_Scwrl_3GWH.pdb: