Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDFEIRFLSFYVIQVEGKDEQANKQFKHFQTLDTGEFEESELKDFLDGELKKIVKRKADRHPQSEQVPTKIGHFIVEPGHELDSNPNYNMFNRARLAETKEDFNELSEQFVRTYLDTSAVRGGVFLVASAVPRKYFDESFVFIMKCDFEPKVARISDASSLIKKVEMAITTKNMKSIQYPYMPEEGMVEEGELKIHQASHARYFED--FLKFVEYGESMPEIMKNQVMNMVQEHVYETFEDNSEELKQFEHDIEIWEASEKREIQERLDTHQVIEASAQIIEHTPEAQLKMKVGETEIKGLLADFGDSIHLAKVNGRYVALIEAETISFEKGSSPVEFYKPEGLHEVIERIRNKTEQD 4JDZ Chain:A ((117-297)) --------------------------------------------------------------------------------------------------------------------------------------YMDADTIPVSKNDVEFNVTIGND------------TTKTTANIQYPDYVSRDNNSIGSAFTETVSHAGNAEDPGYYKQTVYVNPSEKSLTNAKLKV--EAYHKDYPDNVGQINKDVTKIKIYQAPKDYVLNKGYDVN-----TNQLIDVTEQFKDKITYGAND--SVNVDFG------SINNSYVVMVDTK-FEYTTSASP-----------------------

General information: TITO was launched using: RESULT: Template: 4JDZ.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 : 693 -23767 -34.30 -138.99 target 2D structure prediction score : 0.29 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -34.30 2D Compatibility (Sec. Struct. Predict.) : 0.29 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.076

(partial model without unconserved sides chains): PDB file : Tito_4JDZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JDZ-query.scw PDB file : Tito_Scwrl_4JDZ.pdb: