Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSLSQVNADVLKQAQQRIQQDLLTTLAAFSIPEPLKSAVHHAVMLGGKRVRPALCYATASLQDNPNFAAARRAAVAVELIHCYSLAHDDLPCMDNDLLRRGQPTCHVAFGEDTALLAGDILQSMAFEVLGSRLFDEQGQGTDAAIVLKQIQILATAS--SKMVCGQVLDLQAEAKQISQDELENIHRNKTGALIQAAIMMGAVTIFPGTDQAIPKLRQYGQAIGLAFQVQDDILDITSSTETLGKTAGKDEQVQKSTYPALMGLEQAQIYAKELHDQAFEALAHFGENAKELVEISQFLLARTN 5AYP Chain:A ((5-295)) ------SVEQFLNEQKQAVETALSRYIERLEGPAKLKKAMAYSLEAGGKRIRPLLLLSTVRAL-GKDPAVGLPVACAIEMIHTYSLIHDDLPSMDNDDLRRGKPTNHKVFGEAMAILAGDGLLTYAFQLITE--DE----RIPPSVRLRLIERLAKAAGPEGMVAGQAADMEGEGKTLTLSELEYIHRHKTGKMLQYSVHAGALI-GGADARQTRELDEFAAHLGLAFQIR---------------------------------LAGAKEKLAFHIEAAQRHLRNADVDGAALAYICELVAAR--

General information: TITO was launched using: RESULT: Template: 5AYP.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 : 1211 -88604 -73.17 -348.83 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -73.17 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.590

(partial model without unconserved sides chains): PDB file : Tito_5AYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYP-query.scw PDB file : Tito_Scwrl_5AYP.pdb: