Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEVRSLEKSFGSKQVLFGIDFQARPGRILGLVGKNGAGKTTIFHSILKFLEY--QGEIGLDGQDIR------QETYARIGYLPEERSLMPKLTVLEQVRYLATLK--GMDAKEVKEKLPQWMKRLKVKGKLTDKIKSLSKGNQQKIQLIITLIHEPDLIILDEPFSGLDPVNTELLKQVIFQEKERGATIIFSDHVMTNVEELCDDILMIRDGRVVLHGPVQDV--RNQYGKTRLFVSSERSKEELENLPHVKQVSLTKQGSWKLILEDESAGRELFPILTQGQYIATFDQQAPTIDEIFKLESGVEV 3C4J Chain:A ((24-260)) MIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKST-FLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNI-TLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLS----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C4J.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 : 1186 -128 -0.11 -0.57 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -0.11 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_3C4J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C4J-query.scw PDB file : Tito_Scwrl_3C4J.pdb: