Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDFEIRFLSFYVIQVEGKDEQANKQFKHFQTLDTGEFEESELKDFLDGELKKIVKRKADRHPQS-EQVPTKIGHFIVEPGHELDSNPNYNMFNRARLAETKEDFNELSEQ------FVRTYLDTSAVRGGVFLVASAVPRKYFDESFVFIMKCDFEPKVARISDASSLIKKVEMAITTKNMKSIQYPYMPEEGMVEEGELKIHQASHARYFEDFLKFVEYGESMPEIMKNQVMNMVQEHVYETFEDNSEELKQFEHDIEIWEASEKREIQERLDTHQVIEASAQIIEHTPEAQLKMKVGETEIKGLLADFGDSIHLAKVNGRYVALIEAETISFEKGSSPVEFYKPEGLHEVIERIRNKTEQD 4KT6 Chain:B ((4-113)) ---------------------VPKGLEHYQKMFQKEVTVNDLKKYLIGSDKE----YRITRRDSYMGDISDPEVILEYGVYPA--------FIKGYT-QLKANIEEALLEMSNSGQALDIYQAVQT-----LNAENMLLNYYESLPFYL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KT6.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 : 402 -21839 -54.33 -212.03 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -54.33 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.222

(partial model without unconserved sides chains): PDB file : Tito_4KT6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KT6-query.scw PDB file : Tito_Scwrl_4KT6.pdb: