Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLERLNYNKIKIFLTLDDLTDRGLTKEDLWKDSFKVHQLFKDMMNEANTELGFEANGPIAVEVYSLQAQGMVVIVTKNQDADSEDDEYDDDYIEMQVKLDESADIIYQFHSFEDIIQLSESLQRIGITGG--TVYHYDGQYFLSLE--DLGSHTAEGVVAVLAEYGNPTTLTIYRLQEYGKLIMDGNAVETIQTHFS 2Y1R Chain:P ((5-97)) -----------------------------------------------------------------------------------------------------QKLQFVLRFGDFEDVISLS----KLNVNGSKTTLYSFENRYYLYVDFCNMTDEEVENQLSILLEYATESSISIHRLEEYGKLIISEHALETIKKHFA

General information: TITO was launched using: RESULT: Template: 2Y1R.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 416 -27893 -67.05 -313.40 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain P : 0.69 3D Compatibility (PKB) : -67.05 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.606

(partial model without unconserved sides chains): PDB file : Tito_2Y1R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Y1R-query.scw PDB file : Tito_Scwrl_2Y1R.pdb: