Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFGNVSTAMITPFDNKGNVDFQKLSTLIDYLLKNGTDSLVVAGTTGESPTLSTEEKIALFEYTVKEVNGRVPVIAGTGSNNTKDSIKLTKKAEEAGVDAVMLVTPYYNKPSQEGMYQHFKAIAAETSLPVMLYNVPGRTVASLAPETTIRLAADIPNVVAIKEASGDLEAITKIIAETPEDFYVYSGDDALTLPILSVGGRGVVSVASHIAGTDMQQMIKNYTNGQTANAALIHQKLLPIMKELFKAPNPAPVKTALQLRGLDVGSVRLPLVPLTEDERLSLSSTISEL 3NOE Chain:A ((8-274)) --------ALVTPFDAQGRLDWDSLAKLVDFHLQDGTNAIVAVGTTGESATLDVEEHIQVVRRVVDQVKGRIPVIAGTGANSTREAVALTEAAKSGGADACLLVTPYYNKPTQEGMYQHFRHIAEAVAIPQILYNVPGRTSCDMLPETVERL-SKVPNIIGIKEATGDLQRAKEVIERVGKDFLVYSGDDATAVELMLLGGKGNISVTANVAPRAMSDLCAAAMRGDAAAARAINDRLMPLHKALFIESNPIPVKWALHEMGLIPEGIRLPLTWLS--------------

General information: TITO was launched using: RESULT: Template: 3NOE.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 : 1485 -129055 -86.91 -483.35 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -86.91 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.604

(partial model without unconserved sides chains): PDB file : Tito_3NOE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NOE-query.scw PDB file : Tito_Scwrl_3NOE.pdb: