Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNLDWESNTNTTENSCKTAQCDCLTFWEVQQQIAMIRLSNLKDAKKNLYKLEPGYEARARRIASVYAKIYLEQENHGSQQLKGRYYWMGLGAFASKTVAAVFKHGLTAWGYKWIPIISPFVLTPLVRDPVHSFAKGNLWLFMDIAPWHYAWSMSSQSFNQCRTQRDVSKFTHIKEEVLNIPWSSCLPIIKHLQSTTEITQAFGMLPKIEGIFKRKGKPRRDNFKDAQDDLMKHLLAIAVQEQRNILQELVWKDWKVQTQATLQSYTKLPDSTLVLSSDYSVDAVKPRHGKYEGRHKDVLDKLPESVYSEPLAHTKVQDYDSRMEWIQKAAEKYHTLMLSDTGRPFLEKELAIIAGWGNSKADFVVGKDSNDGKI 2JRO Chain:A ((20-33)) ---------------------------------------------------------------------------------LTGVIWVKDLGRLE----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2JRO.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 : 13 -2648 -203.69 -189.14 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -203.69 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_2JRO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JRO-query.scw PDB file : Tito_Scwrl_2JRO.pdb: