Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVRNRKGATELLEANPQYVVLNPLEAKAKWRDLFGNDNPIHVEVGSGKGAFVSGMAKQNPDINYIGIDIQKSVLSYALDKVLEVGVPNIKLLWVDGSDLTDYFEDGEIDRLYLNFSDPWPKKRHEKRRLTYKTFLDTFKRILPENGEIHFKTDNRGLFEYSLVSFSQYGMKLNGVWLDLHASDFEGNVMTEYEQKFSNKGQVIYRVEAEF 2GLU Chain:B ((21-125)) -------------------------------------AEHRVLDIGAGAGHTALAFSPYV--QECIGVDATKEMVEVASSFAQEKGVENVRFQQGTAESL--PFPDDSFDIITCRYAAHHFSD--------VRKAVREVARVLKQDGRFLLVDH---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GLU.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 : 520 -58961 -113.39 -561.53 target 2D structure prediction score : 0.83 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -113.39 2D Compatibility (Sec. Struct. Predict.) : 0.83 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_2GLU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GLU-query.scw PDB file : Tito_Scwrl_2GLU.pdb: