Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDEYLLSPESGENELSLEKSLRPQLLSQYIGQRKVKQELQIYIEAARNREEPLDHVLLYGPPGLGKTTMAMVIANEMTVNIRTTSGPAIERPGDLVAILNE-LEAGDVLFIDEIHRLPRVVEEMLYSAMEDFYVDIMVGQGPTAHPVHFPLPPFTLIGATTRAGMLSAPLRDRFGIISHMEYYDEQDLQEIVLRSSDIFQTEIIEEGALEIARRSRGTPRIANRLLKRVRDFAQVQGDGKIDRPIADQALTLLQVDQAGLDYVDQKLLRTMIELYGGGPVGLSTLSVNIGEERETVEDMYEPYLIQKGFLKRTPRGRIATAYAYEHFGYDYHI 1IXS Chain:B ((4-302)) -------------------LALRPKTLDEYIGQERLKQKLRVYLEAAKARKEPLEHLLLFGPPGLGKTTLAHVIAHELGVNLRVTSGPAIEKPGDLAAILANSLEEGDILFIDEIHRLSRQAEEHLYPAMEDFVMDIVIGQGPAARTIRLELPRFTLIGATTRPGLITAPLLSRFGIVEHLEYYTPEELAQGVMRDARLLGVRITEEAALEIGRRSRGTMRVAKRLFRRVRDFAQVAGEEVITRERALEALAALGLDELGLEKRDREILEVLILRFGGGPVGLATLATALSEDPGTLEEVHEPYLIRQGLLKRTPRGR----------------

General information: TITO was launched using: RESULT: Template: 1IXS.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 : 1367 -24119 -17.64 -80.93 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -17.64 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_1IXS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IXS-query.scw PDB file : Tito_Scwrl_1IXS.pdb: