Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLTVIYIIAITAEAMTGALSAGRRSMDWFGVVLIACVTALGGGSVRDVLLGHYPLTWVKHPEYLVLTCCAAFVTIVIAKWMRHLHNIFLVLDALGLIGFTIIGCQIALQMGHGFVVSAVAGVLTGVSGGILRDILCNDVPFVFRRELYASISFVAVICYWVCLDLGLSLELTVISTLVFGFTLRLIAIYFGLEMPKFIYKDDDAESASSTDEH 5WUD Chain:A ((15-201)) --------IGIVAFAISGAIKAVKKGMDLLGVLVLGFSTALGGGIISNLLLGKTPPTNLIYYPYPITAFLASLATFVFYRIFTNVGKPLLYADAIGLGAFASSGASLAYSVSNNVILVVIVGAITAVGGGVIRDILSNEVPLILTREFYATTAVIGSFVYFIASDLSVPEDVALIVSFLITLILRILAMELKWEL-------------------

General information: TITO was launched using: RESULT: Template: 5WUD.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 : 964 -141972 -147.27 -759.21 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -147.27 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_5WUD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5WUD-query.scw PDB file : Tito_Scwrl_5WUD.pdb: