Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVNNTPHHLAALADAAVPGLRPVDLH--MVAENIGERFHVGFVVDDEERAWVVRLPADRVSAALQEASIPFLLEVGRHLPFDVPQPAGTAALGDGRPAMVYPYLYGRIVDFALLPPGPG--------------IATGIGAALAALHDVPVGALDDTGVPVYDAQECRHRLVSDVDRGARTGLVPTQLLTRWERTLD-DASWWDFTTVPVHGYLSNAHLLTDFPTEDTSSGRVSAIVSWEGAKIGDPAEDLAAIARSAPPEAVDTVFGAYAQHRRGTVDPHLRERARLLGELRLLSRLLAAHSSGDEPAVAHVVRTMRRLVDLLADDTLAPSTSTVRTAVPVTFEDEPVDEDWYSSGATLPGGNPRIDVTGAGSDAEDGGRSSTGETTYAGAVPEETPHGSGGDGDLRGPDTYRG 5IGR Chain:A ((2-234)) -TVVTTADTSQLYALAARHGLK---LHGPLTVNELGLDYRIVIATVDDGRRWVLRIPRRAEVSAKVEPEARVLAMLKNRLPFAVP---------DWRVANAELVAYPMLEDSTAMVIQPGSSTPDWVVPQDSEVFAESFATALAALHAVPISAAVDAGMLIRTPTQARQKVADDVDRVRREFVVNDKRLHRWQRWLDDDSSWPDFSVV-VHGDLYVGHVLID------NTERVSGMIDWSEARVDDPAIDMAA------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IGR.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 : 765 -30125 -39.38 -139.47 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -39.38 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.164

(partial model without unconserved sides chains): PDB file : Tito_5IGR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5igr-query.scw PDB file : Tito_Scwrl_5IGR.pdb: