Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMRTIKVGSRRSKLAMTQTKWVIQKLKEINPSFAFEIKEIVTKGDRIVDVTLSKVGGKGLFVKEIEQ-----ALLNEEIDMAVH--------------SMKDMPAVLPEGLVIGCIPEREDPRDALISKNRVKLSEMKKGAVIGTSSLRRSAQLLIERPDLTIK----WIRGNIDTRLQKLETEDYDAIILAAAGLSRMGWKQDVVTEFLEPERCLPAVGQGALAIECRESDEELLALFSQFTDEYTKRTVLAERAFLNAMEGGCQVPIAGYSVLNGQDEIEMTGLVASPDGKIIFKETVTGNDPEEVGKRCAALMADKGAKDLIDRVKRELDEDGK- 1US5 Chain:A ((17-313)) AQEFITIGSGSTT--------------GVYFPVATGIAKLVNDANVGIRANARSTGGSVANINAINAGEFEMALAQNDIAYYAYQGCCIPAFEGKPVKTIRALAALYPEVVHVVARKDAGIRTVADLKGKRVVVGDVG-------SGTEQNARQILEAYGLTFDDLGQAIRVSASQGIQLMQDKRADALFYTV------GLGASAIQQLALTTP-----------IALVAVDLNRIQAIAKKYPFYVGFNIPGGTYKGVDVTTPTVAVQAMLIASERLSEETVYKFMKAVFGN---LEAFKKIHPNLERFFGLEKAVKGLPIPLHPGAERFYKEAGVL

General information: TITO was launched using: RESULT: Template: 1US5.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 : 1689 22736 13.46 83.28 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 13.46 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.258

(partial model without unconserved sides chains): PDB file : Tito_1US5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1US5-query.scw PDB file : Tito_Scwrl_1US5.pdb: