Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNWNFQELKETPSQTGGPYVHIGLLPQQAGIEVFENNFNNQLVQDQTKGECIRLEGQVFDGLGLPLRDVLIEIWQADANGIYPSQADTREQKADPAFQGWGRTGADFETGVWSFNTIKPGATAGRKGSVQAPHIALVIFARGINLGLHTRVYFEDEAEANANDPILNSIEWAPRRQTLIAKRFEENGEVVYRFDIRIQGDDETVFFDI 2BUM Chain:A ((8-209)) -------ELKETPSQTGGPYVHIGLLPKQANIEVFEHNLDNNLVQDNTQGQRIRLEGQVFDGLGLPLRDVLIEIWQADTNGVYPSQADTQGKQVDPNFLGWGRTGADFGTGFWSFNTIKPGAVPGRKGSTQAPHISLIIFARGINIGLHTRVYFDDEAEANAKDPVLNSIEWATRRQTLVAKREERDGEVVYRFDIRIQGENETVFFDI

General information: TITO was launched using: RESULT: Template: 2BUM.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 : 963 -75727 -78.64 -374.89 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.96 3D Compatibility (PKB) : -78.64 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.96 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_2BUM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BUM-query.scw PDB file : Tito_Scwrl_2BUM.pdb: