Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKCNLPEVVVTGVGVTASIGQGKEDFASSLLSGRHAFDVMKRSGRQKDSRFIGAEIASLSYPDRLSKKMLRKASFSSRAALVTLTEAWEEAELDDADSSRIGLVVG---GSNFQQRENFEVYERYQDRSGFISPAYGLSFMDSDLCGICTDQFGITGLAYTVGGASASGQLAVIHAIQQVLSGEVDTCIALGALMDLSYMECEALRALGAMGTDKYADEPENACRPFDQNRDGFIYGESCGALVIERKETALRRGLKPYAALSGWSIKLDGNRNPDPSLEG--EIHVIQKALERARLLPEDIDYINPHGTGSFIGDEIELKALRACRLSHAYINATKSITGHGLSAAGIVEIISVLLQMKKSALHPSRNLDHP---IDDSFHWVNEKSISYRIKNALSLSMGFGGMNTAVCIQNIEKCGGES 4C6U Chain:A ((100-436)) ----------------------------------------------------------------------MRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRK--VSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRN--DEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRY--AVNNSFGFGGHNVALAF----------

General information: TITO was launched using: RESULT: Template: 4C6U.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 : 2037 -166480 -81.73 -506.02 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -81.73 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_4C6U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C6U-query.scw PDB file : Tito_Scwrl_4C6U.pdb: