Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLERLNYNKIKIFLTLDDLTDRGLTKEDLWKDSFKVHQLFKDMMNEANTELGFEANGPIAVEVYSLQAQGMVVIVTKNQDADSEDDEYDDDYIEMQVKLDESADIIYQFHSFEDIIQLSESLQRIGITGG--TVYHYDGQYFLSLE--DLGSHTAEGVVAVLAEYGNPTTLTIYRLQEYGKLIMDGNAVETIQTHFS 2Y1R Chain:I ((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 I - contact count / total energy / energy per contact / energy per residue : 423 -25473 -60.22 -286.21 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain I : 0.69 3D Compatibility (PKB) : -60.22 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.592

(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: