Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKKGKSMSDRTIGILGLGIFGSSVLAALAKQDMNIIAIDDHAERINQFEPVLARGVIGDITDEELLRSAGIDTCDTVVVATGENLESSVLAVMHCKSLGVPTVIAKVKSQTAKKVLEKIGADSVISPEYEMGQSLAQTILFHNSVDVFQLDKNVSIVEMKIPQSWAGQSLSKLDLRGKYNLNILGFREQENSPLDVEFGPDDLLKADTYILAVINNQYLDTLVALNS 2HMS Chain:D ((7-136)) ----------KQFAVIGLGRFGGSIVKELHRMGHEVLAVDINEEKVNAYASYATHAVIANATEENELLSLGIRNFEYVIVAIGANIQASTLTTLLLKELDIPNIWVKAQNYYHHKVLEKIGADRIIHPEKDMGVKIAQSL----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2HMS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 635 -114425 -180.20 -880.19 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain D : 0.67 3D Compatibility (PKB) : -180.20 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.748

(partial model without unconserved sides chains): PDB file : Tito_2HMS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HMS-query.scw PDB file : Tito_Scwrl_2HMS.pdb: