Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVRNRKGATELLEANPQYVVLNPLEAKAKWRDLFGNDNPIHVEVGSGKGAFVSGMAKQNPDINYIGIDIQKSVLSYALDKVLEVGVPNIKLLWVDGSDLTDYFEDGEIDRLYLNFSDPWPKKRHEKRRLTYKTFLDTFKRILPENGEIHFKTDNRGLFEYSLVSFSQYGMKLNGVWLDLHASDFEGNVMTEYEQKFSNKGQVIYRVEAEF 3MGG Chain:A ((35-143)) -------------------------------------PGAKVLEAGCGIGAQTVILAKNNPDAEITSIDISPESLEKARENTEKNGIKNVKFLQANIFSL--PFEDSSFDHIFVCFVLEHLQS--------PEEALKSLKKVLKPGGTITVIEGDH-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3MGG.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 : 495 -53444 -107.97 -490.31 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -107.97 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_3MGG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MGG-query.scw PDB file : Tito_Scwrl_3MGG.pdb: