Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSTQQWQSVTWFEVDEHQAGQRIDNFLFSRLKGVPKSRIYRLIREGQVRVNKKRIKAETKLAIGDQIRVAPIRYEQKDETAAPVSDSVAQGLLSRVVYEDEGLLVVNKPSGIAVHGGSGVAYGLIEAL----RAATGKKY--LELIHRIDRDTSGLVMISKKRSTLKLLQDMLREHKIRKTYAAIVKGQVSLDKQLIDAPLFR-------YELANGER-RVRVSKEGKPSKTEWVVAERFKNATLVHASPLSGRTHQIRVHGLSIG--HPLVGDDKYGHNTAYTGPEARRLCLHAMRLDIPGYPTIEAPLPEDMTQLLEALRVAK 5UBA Chain:A ((19-223)) --------------------------------------------------------------------------------------NVLAKALTRGILHQDKNLVVINKPYGLPVHG----QLCITDVLPILAKMLHGHKAEPLHLCHRLDKETTGVMVLAWDKDMAHQVQELFRTRQVVKKYWAITVHVPMPSAGVVDIPIVEKMTLSPSYRMDDGKMVKVRRSRNAQVAVTQYQVLSSTLSSALVELQPITGIKHQLRVH-LSFGLDCPILGDHKY------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5UBA.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 : 657 -21824 -33.22 -127.63 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -33.22 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.415

(partial model without unconserved sides chains): PDB file : Tito_5UBA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5UBA-query.scw PDB file : Tito_Scwrl_5UBA.pdb: