Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------MFESEAELRRI-RIALVWIAVFLLFGACGNQDTIIETD-NGNSDYETPQPTSFPLEHNHFGVMEDGYIKIYEYNESRNEVKLKKEYADDELE------------------------------------------------------------------------------------------------------------------------------- 3NO2 Chain:A ((3-276)) SPQHLLVGGSGWNKIAIINKDTKEIVWEYPLEKGWECNSVAATKAGEILFSYSKGAKMITRDGRELWNIAAPAGCEMQTARILPDGNALVAWCGHPSTILEVNMKGEVLSKTEFETGIERPHAQFR-------QINKNKKGNYLVPL---FATSEVREIAPNGQLLNSVKLSGTPFSSAFLDNGDCLVACGDAHCFVQLNLESNRIVRRVNANDIEGVQLFFVAQLFPLQNGGLYICNWQGHDREAGKGKHPQLVEIDSEGKVVWQLNDKVKFGMISTICPIRE

General information: TITO was launched using: RESULT: Template: 3NO2.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 : 333 -17193 -51.63 -214.91 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -51.63 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.224

(partial model without unconserved sides chains): PDB file : Tito_3NO2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NO2-query.scw PDB file : Tito_Scwrl_3NO2.pdb: