Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQYASESINLPGEITFKDVREIFFYQIAKISCFYFLLFCAIFAAVNFINGWPRIVYGSDALNLFMNSMLIIVMSVLFTLLLLLLLYVKFSRAYKKNERMKSKRTYTLNQEGIRICSKKYDLIFNWDEIT-----AVFEYKN----IFRVNTSSGQYIAIPKHFFHSEE----EMN-RFKEIILKNTETKKLKFKKDQH 2R61 Chain:A ((64-165)) ----------------------------------------------------------------------------------------------KDIERLKARKNPGLDIFVVKEAENR--TVFSYGGVTKKNQGAYYDYLNAPKFVIKKEVDAGVYTHVKRHYIYKEEVSLKELDFKLRQYLIQNFDLYK-KFPKD--

General information: TITO was launched using: RESULT: Template: 2R61.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 : 166 2383 14.35 27.70 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 14.35 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.111

(partial model without unconserved sides chains): PDB file : Tito_2R61.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R61-query.scw PDB file : Tito_Scwrl_2R61.pdb: