Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSLIIHLSKISSAFCYRFGLYNKILNILCNFKQQGGLQSDVNTPYNAARLVEDLFMTEQARDTEALIRDQIAKHPVLLYMKGTPQFPQCGFSARAVEALSQIGRPFAYVNILENPDIRATLPKIANWPTFPQLWVNGELIGGSDIMLEMFQNGELKPLIEQYSAAPEA 2WCI Chain:A ((21-128)) ------------------------------------------------------------MSTTIEKIQRQIAENPILLYMKGSPKLPSCGFSAQAVQALAACGERFAYVDILQNPDIRAELPKYANWPTFPQLWVDGELVGGCDIVIEMYQRGELQQLIKETAAKYK-

General information: TITO was launched using: RESULT: Template: 2WCI.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 : 490 -82317 -167.99 -762.19 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -167.99 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.707

(partial model without unconserved sides chains): PDB file : Tito_2WCI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WCI-query.scw PDB file : Tito_Scwrl_2WCI.pdb: