Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVFLIGANGQIGQRLVSLFQDNPDHSIRAMVRKEEQKASLEAAGAEAVLANLEGSPEEIAAAAKGCDAIIFTAGSGGSTGYDKTLLVDLDGAAKAIEAAAIAGIKRFIMVSALQAHNREN---------W----NEALKPYYVAKHYADKILEA---SGLTYTIIRPGGLRNEPGTG----TVS-AA--KD------LERGFISRDDVAKTVIASLDEKNTENRAFDLTEGDTPIAEALKKL 2X4G Chain:A ((13-269)) VKYAVLGATGLLGHHAARAIRAAG-HDLVLIHRPSSQIQRLAYLEPECRVAEML-DHAGLERALRGLDGVIFS----------EEVASALGQTNPFYAACLQARVPRILYVGSAYAMPRHPQGLPGHEGLFYDSLPSGKSSYVLCKWALDEQAREQARNGLPVVIGIPGMVLGELDIGPTTGRVITAIGNGEMTHYVAGQRNVIDAAEAGRGLLMALERG-RIGERYLLTGHNLEMADLTRR-

General information: TITO was launched using: RESULT: Template: 2X4G.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 : 1012 -134313 -132.72 -671.57 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -132.72 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_2X4G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X4G-query.scw PDB file : Tito_Scwrl_2X4G.pdb: