Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGIALENVNFIYQEGTPLASAALSDVSLTIEDGSYTALIGHTGSGKSTILQLLNGLLVPSQGSVRVFDTLITSTSKNKDIRQIRKQVGLVFQFAENQIFEETVLKDVAFGPQNFGVSEEDAVKTAREKLALVGIDESLFDRSPFELSGGQMRRVAIAGILAMEPSILVLDEPTAGLDPLGRKELMTLFKKLHQSGMTIVLVTHLMDDVAEYANQVYVMEKGRLVKGGKPSDVFQDVVFMEEVQLGVPKITAFCKRLADRGVSFKRLPIKIEEFKESLNG 5X40 Chain:A ((17-275)) --LAAEALTYAFPGGV----KALDDLSLAVPKGESLAILGPNGAGKSTLLLHLNGTLRPQSGRVLLGGT--ATGHSRKDLTGWRRRVGLVLQDADDQLFATTVFEDVSFGPLNLGLSEAEARARVEEALAALSISD-LRDRPTHMLSGGQKRRVAIAGAVAMRPEVLLLDQPTAGLDLAGTEQLLTLLRGLRAAGMTLVFSTHDVELAAALADRVALFRTGRVLAEGAAEAVLSDRATLAKVALRPPLVIDLALLARDHGLLAPEAPL-----------

General information: TITO was launched using: RESULT: Template: 5X40.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 : 1325 -174368 -131.60 -673.23 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -131.60 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.633

(partial model without unconserved sides chains): PDB file : Tito_5X40.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X40-query.scw PDB file : Tito_Scwrl_5X40.pdb: