Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVLLGFAAFTLSLSLAACSSNDSEKVSTEKETPQASTDVEKKTEQKESTKEKTADKSKEKDKKELVDVTLDRAVDGDTIKVTYNGNVDTVRYLLIDTPETKKPNSCVQPYGEDASKRNKELV-NSGKLQLEFDKGDRRDKYGRLLAYVYVDGKSVQETLLKEGLARVAYVYEPNTKYIDQFKKDEQEAKSEKLSIWSKNGYVTDRGFNGCVKEKTTAVKKATTSKPAATQPTTPKASSETSTTTEKEASSETTGGTETFKNCTELRKKYPNGVPSSHPAYQSKMDRDHDNYACER 3HEJ Chain:B ((13-135)) ----------------------------------------------------------------------TLIKAIDGDTVKLMYKGQPMTFRLLLVDTPEFN------EKYGPEASAFRKKMVENAKKIEVEFDKGQRTDKYGRGLAYIYADGKMVNEALVRQGLAKVAYVYKGNNTHEQLLRKAEAQAKKEKLNIWS--------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HEJ.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 : 576 21370 37.10 175.16 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : 37.10 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_3HEJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HEJ-query.scw PDB file : Tito_Scwrl_3HEJ.pdb: