Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDFEIRFLSFYVIQVEGKDEQANKQFKHFQTLDTGEFEESELKDFLDGELKKIVKRKADRHPQS-EQVPTKIGHFIVEPGHEL-DSNPNYNMFNRARLAETKEDFNELS--EQFVRTYLDTSAVRGGVFLVASAVPRKYFDESFVFIMKCDFEPKVARISDASSLIKKVEMAITTKNMKSIQYPYMPEEGMVEEGELKIHQASHARYFEDFLKFVEYGESMPEIMKNQVMNMVQEHVYETFEDNSEELKQFEHDIEIWEASEKREIQERLDTHQVIEASAQIIEHTPEAQLKMKVGETEIKGLLADFGDSIHLAKVNGRYVALIEAETISFEKGSSPVEFYKPEGLHEVIERIRNKTEQD 3QB2 Chain:A ((4-113)) ---------------------VPKGLEHYQKMFQKEVTVNDLKKYLIGSDKE----YRITRRDSYMGDISDPEVILEYGVYPAFIKGYT-QLKANIEE-----ALLEMSNSGQALDIYQAVQT-----LNAENMLLNYYESLPFYL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3QB2.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 : 402 -18302 -45.53 -172.66 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -45.53 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.288

(partial model without unconserved sides chains): PDB file : Tito_3QB2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QB2-query.scw PDB file : Tito_Scwrl_3QB2.pdb: