Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLTVFCGSRFGNKESYKFIAQTLGKYMAQEEIELVYGGSYSGIMGVISKTVLENNGKVTGIYPNGLFETELPGKDVTTFIPTETIDERKVLLFEKGDAVLVFPGGLGTLEEFSQLLSWIAIGLTPDKPIGILNIGGYYSGLQQLLETFAKEDFMDKKWLDQVIFSNNPLELVNELRAVSIKNQLLLKEAK 3QUA Chain:A ((23-198)) WAVCVYCASGPT-HPELLELAAEVGSSIAARGWTLVSGGGNVSAMGAVAQAARAKGGHTVGVIPKALVHRELADVDAAELIVTDTMRERKREMEHRSDAFIALPGGIGTLEEFFEAWTAGYLGM-HDKPLILLDPFGHYDGLLTWLRGLVPTGYVSQRAMDSLVVVDNVEAALEACAP-------------

General information: TITO was launched using: RESULT: Template: 3QUA.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 : 931 -121168 -130.15 -688.45 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -130.15 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.569

(partial model without unconserved sides chains): PDB file : Tito_3QUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QUA-query.scw PDB file : Tito_Scwrl_3QUA.pdb: