Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKILVLHTGGTIA-MKENMLTGGVSPDVANPLLDAEITIPKHVELLVEDIFNLPSPHIMPSHMLVLKERILSAYASG-ISGVVITHGTDTLEETAFFLDTTIGNKLPIVLTGAMRSSNELGSDGLYNFESAIRVASCEEALDKGVLVVMNDEIHSARYVTKTHTTNVATFRTPTLGPIGLVTKNRILFLQELLE----TKRLDISAVDG--TIPIVKAYAGMQGDLLEAIAHTKVDGLVIEALGAGNLPPQALAALEKLLVQKIPVVLVSRCFNGIAEPVYDYEGGGKELEKMGIIFCNSINSQKARLKLLIAVNYGLSGEELISFIQN 5K4H Chain:B ((5-314)) --QVTILATGGTIAG---SYSAGAVTVD---KLLAAVPAINDLATIKGEQISSIGSQEMTGKVWLKLAKRVNELLAQKETEAVIITHGTDTMEETAFFLNLTVKSQKPVVLVGAMRSGSSMSADGPMNLYNAVNVAINKASTNKGVVIVMNDEIHAAREATKLNTTAVNAFASPNTGKIGTVYYGKVEYFTQSVRPHTLASEFDISKIEELPRVDILYAHPDDTDVLVNAALQAGAKGIIHAGMGNGNPFPLTQNALEKAAKSGVVVARSSRVGSGSTTQEAEVDD-----KKLGFVATESLNPQKARVLLMLAL---------------

General information: TITO was launched using: RESULT: Template: 5K4H.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1701 -29437 -17.31 -100.12 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -17.31 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.519

(partial model without unconserved sides chains): PDB file : Tito_5K4H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K4H-query.scw PDB file : Tito_Scwrl_5K4H.pdb: