Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------MTISLMIEKKCERSF--FSMNAIIHG-IVLAF--GLI-LPLGVQNVFIFQQGALQK-HIWRALP--AVISASVCDTLLIVLAV-AGVSVIVQELPVFETVMMA----------GGFLFLLYMGWVTWNIRPNTSQNEKHT-----FTPKKQAAFAAAVSLLNPHAILD-------TIGVIGTSSLQYSGLEKWLFMAACIAVSWIWFISLAIAGRLFQTIDTSGRLMLIVNKCSAAVMWAAAGY--FG-VSLFCN--- 3NO2 Chain:A ((3-276)) SPQHLLVGGSGWNKIAIINKDTKEIVWEYPLEKGWECNSVAATKAGEILFSYSKGAKMITRDGRELWNIAAPAGCEMQTARILPDGNALVAWCGHPSTILEVNMKGEVLSKTEFETGIERPHAQFRQINKNKKGNYLVPLFATSEVREIAPNGQLLNSVKLSGTPFSSAFLDNGDCLVACGDAHCFVQLNLESNRIVRRVNANDIE--GVQ--LFFVAQLFPLQNGGLYICNWQGHDREAGKGKHPQLVEIDSEGKVVWQLNDKVKFGMISTICPIRE

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 : 1004 -172061 -171.38 -796.58 target 2D structure prediction score : 0.26 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -171.38 2D Compatibility (Sec. Struct. Predict.) : 0.26 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.076

(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: