Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MVNQNNSPSDMGKIPLSDDKNLMNIA---------QYLKGVQ-------QSHKRSIPPLEQ-WHPKH----------CGKMDLTVKAN--GEWWHEGQL-IKRQALLDLFTKVLWKEEGKFYLKTPVEQIEIEVEDEPLLVNQVDQIEISGDEFLQLTTTNQDVILV--DAEHPIFMREYAGELRPYVHVRF--GINALIQRQAF------YHLVNYG------------TLVE-NDKGETILQLKSGNLHLQ-LGT------ 3NO2 Chain:A ((3-276)) SPQHLLVGGSGWNKIAIINKDTKEIVWEYPLEKGWECNSVAATKAGEILFSYSKGAKMITRDGRELWNIAAPAGCEMQTARILPDGNALVAWCGHPSTILEVNMKGEVLSKTEFETGIERPHAQFRQINKNKKGNYLVPLFATSEVREIAPNGQLLNSVK---LSGTPFSSAFLDNGDCLVACGDAHCFVQLNLESNRIVRRVNANDIEGVQLFFVAQLFPLQNGGLYICNWQGHDREAGKGKHPQLVEIDSEGKVVWQLND-KVKFGMISTICPIRE

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 : 1067 8701 8.15 43.72 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 8.15 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.170

(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: