Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLIEREKTVYYKEKPDPSSLGFGQYFTDYMFVMDYEEGIGWHHPRIAPYAPLTLDPSSSVFHYGQAVFEGLKAYRTDDGRVLLFRPDQNIKRLNRSCERMSMPPLDEELVLEALTQLVELEKDWVPK-EKGTSLYIRPFVIATEPSLGVKASRSYTFMIVLSPVGSYYGDDQLKPVRIYVEDEYVRAVNGGVGFAKTAGNYAASLQAQRKANELGYDQVLWLDAIEKKYVEEVGSMNIFFVI-NGEAVTPALSGSILSGVTRASAIELI-RSWGIPVREERISIDEVYAASARGELTEVFGTGTAAVVTPVGELNIHGKT--VIVGDGQIGDLSKKLYETITDIQLGKVKGPFNWTVEV 3UYY Chain:B ((25-358)) -----------------DWSTLGFSYIRTDLRYLAHWKDG-EWDAGTLTEDNQIHLAEGSTALHYGQQCFEGLKAYRCADGSINLFRPDQNAARMRMSCRRLLMPELSDEQFIDACLQVVRANEHFLPPYGTGGSLYLRPFVIGVGDNIGVRTAPEFIFSVFCVPVGPYF-KGGLTPTN-FITSDYDRAAPHGTGAAKVGGNYAASLLPGYEAKKRDFADVIYLDPATHTTIEEAGAANFFAITQDGQKFVTPQSPSILPSITKYSLLWLAEHRLGLEVEEGDIRIDEL------GKFSEAGACGTAAVITPIGGIQ-HGDDFHVFYSESEPGPVTRRLYDELVGIQYGDKEAPEGWIVKV

General information: TITO was launched using: RESULT: Template: 3UYY.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 : 1836 -180512 -98.32 -548.67 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -98.32 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_3UYY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UYY-query.scw PDB file : Tito_Scwrl_3UYY.pdb: