Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVVVFSQIDEEILSRLQQDYHVVVLNPKLGDINEQIRQEVVDADGMIGAGRLLNESNLSPAQKLKIISSVTVGYDNYDVGYLNQKKIWLANTPHVLTETTADLAFTLLLSAARKVPFLDHWTKQGEWKRTVGPQQFGLDVFGKTLGIIGLGNIGAAIARRGFYGFNM-NIVYHNRREKPELAEPLKAQYLGLEELLQQSDFVVTAVGLNAESKALMGKAQFELMQKHAIFINIARGSVVDEQALIEALQNEVIFAAGLDVYEKEPLQES-ALFNLPNVVTLPHVGSATAETRKKMANLAYKNLVEALEDKTPRYLVNPNFV 2GCG Chain:B ((77-319)) -----------------------------------------------------------------LKVISTMSVGIDHLALDEIKKRGIRVGYTPDVLTDTTAELAVSLLLTTCRRLPEAIEEVKNGGWTSWKPLWLCGYGLTQSTVGIIGLGRIGQAIARR-LKPFGVQRFLYTGRQPRPEEAAEFQAEFVSTPELAAQSDFIVVACSLTPATEGLCNKDFFQKMKETAVFINISRGDVVNQDDLYQALASGKIAAAGLDVTSPEPLPTNHPLLTLKNCVILPHIGSATHRTRNTMSLLAANNLLAGL--------------

General information: TITO was launched using: RESULT: Template: 2GCG.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 : 1160 -105969 -91.35 -439.71 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -91.35 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_2GCG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GCG-query.scw PDB file : Tito_Scwrl_2GCG.pdb: