Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRIENLSVSYKDTLALKDISLVLHGPTITGIIGPNGAGKSTLLKGMLGII-PHQGQAFL-------DDKEVKKSLHRIAYVEQKINIDYNFPIKVKECVSLGLFPSIPLFRSL-KAKHWKKVQEALEIVGLADYAERQISQLSGGQFQRVLIARCLVQEADYILLDEPFAGIDSVSEEIIMNTLRDLKKAGKTVLIVHHDLSKIPHYFDQVLLVNR-EVIAFGPTKETFTETNLKEAYGNQLFFNGGDL 5X3X Chain:A ((20-230)) ---------------ALDDLSLAVPKGESLAILGPNGAGKSTLLLHLNGTLRPQSGRVLLGGTATGHSRKDLTGWRRRVGLVLQDAD-DQLFATTVFEDVSFG-----PLNLGLSEAEARARVEEALAALSISDLRDRPTHMLSGGQKRRVAIAGAVAMRPEVLLLDEPTAGLDLAGTEQLLTLLRGLRAAGMTLVFSTHDVELAAALADRVALFRTGRVLAEGAAEAVLSD------------------

General information: TITO was launched using: RESULT: Template: 5X3X.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 : 960 -12232 -12.74 -60.85 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -12.74 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_5X3X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X3X-query.scw PDB file : Tito_Scwrl_5X3X.pdb: