Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKASPHRPTKALIHLGAIRQNIQQMGAHIPQGTLKLAVVKANAYGHGAVAVAK-AIQDDVDGFCVSNIDEAIELRQAGLSKPILILGVSEIEAVALAKEYDFTLTVAGLEWIQALLDKEVDLTGLTVHLKIDSGMGRIGFREASEVEQAQDLLQQHG-VCVEGIFTHFATADEESDDYFNAQLERFKTILASMKEVPELVHASNSATTLWHVETIFNAVRMGDAMYGLNPSGAVLDLPYDLIPALTLESALVHVKTVPAGACMGYGATYQADSEQVIATVPIGYADGWTRDMQNFSVLVDGQACPIVGRVSMDQITIRLPKLYPLGTKVTLIGSNGDKEITATQVATYRVTINYEVVCLLSDRIPREYY 3UW6 Chain:A ((5-369)) -----HRDTWAEVDLDAIYDNVENLRRLLPDDTHIMASVCGNAYGHGDVQVARTALEAGASRLAVAFLDEALALREKGIEAPILVTGASRPADAALAAQQRIALTVFRSDWLEEASALYSGPFPIHFHLYMDTGMGSLGVKDEEETKRIVALIERHPHFVLEGLWTWFAT-------YFSYQYTRFLHMLEWLPSRPPLVHCANSAASLRFPDRTFNMVQFGIAMYGLAPSPG----PYPLKEAFSLHSRLVHVKKLQPGEKVSFGATYTAQTEEWIGTIPIGYKDGWLRRLQHFHVLVDGQKAPIVGRILGDMCMIRLPGPLPVGTKVTLIGRQGDKVISIDDVARHLETINYEVPCTISYRVPRIFF

General information: TITO was launched using: RESULT: Template: 3UW6.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 : 1930 -115192 -59.68 -328.18 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -59.68 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.624

(partial model without unconserved sides chains): PDB file : Tito_3UW6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UW6-query.scw PDB file : Tito_Scwrl_3UW6.pdb: