Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSLIIHLSKISSAFCYRFGLYNKILNILCNFKQQGGLQSDVNTPYNAARLVEDLFMTEQARDTEALIRDQIAKHPVLLYMKGTPQFPQCGFSARAVEALSQIG-RPFAYVNILENPDIRATLPKIANWPTFPQLWVNGELIGGSDIMLEMFQNGELKPLIEQYSAAPEA 2WUL Chain:D ((10-102)) ------------------------------------------------------------AEQLDALVK----KDKVVVFLKGTPEQPQCGFSNAVVQILRLHGVRDYAAYNVLDDPELRQGIKDYSNWPTIPQVYLNGEFVGGCDILLQMHQNGDL-------------

General information: TITO was launched using: RESULT: Template: 2WUL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 380 -28630 -75.34 -311.20 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain D : 0.71 3D Compatibility (PKB) : -75.34 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.757

(partial model without unconserved sides chains): PDB file : Tito_2WUL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WUL-query.scw PDB file : Tito_Scwrl_2WUL.pdb: