Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTEIYVDGASAGNPGPSGIGIFIKHEGKAESFSIPIGVHTNQEAEFLALIEGMKLCATRGYQSVSFRTDSDIVERATELEMVKNITFQPF----------VEEIIRLKAAFPLFFIK--WIPGK----QNQKADLLAKEAIRLNEKN 3AA2 Chain:A ((6-140)) ---EIFTDGSCLGNPGPGGYGAILRYRGREKTFSAGYTRTTNNRMELMAII--VALEALKEHCEVILSTDSQYVRQGI-TQWIHNWKKRGWKTADKKPVKNVDLWQRLDAALGQHQIKWEWVKGHAGHPENERCDELARAA-------

General information: TITO was launched using: RESULT: Template: 3AA2.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 : 509 -30485 -59.89 -256.17 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -59.89 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_3AA2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AA2-query.scw PDB file : Tito_Scwrl_3AA2.pdb: