Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRVGDYEILDVVGEGAYSKVKRVRHIPTGCMFVAKIVPKTNQQ--------VENDVRLEISILRRL-KHKNIVQLIEILESTNNYYIILEPVMGGDLCDIIVGMDRPLPEQDVAALLIQLVAGVRACHRNGVAHRDLKPENLLLGTDGVLKISDFGLSRLHRESNFQASTNEYAHTLTGTLAYLAPEVFG------GSYDAFRADIWSMGCIAYVLLTQNFPFGSTTDPHALEVRIRNGEVS-I--MPSSVSAEAKNLCKWLLSPRPEDRPTLDAVAQHDFFKRYLPAEYLRVTANRKSPIVHGANMNEFSSQVQEEAPSCSPSTASAKRKHHHVRSGSAARTSPSGSAVAGAATSSNRSSESGRDREDLVSHGTQDESGLGGYCGDV 2Y7J Chain:D ((93-365)) ---YQKYDPKDVIGRGVSSVVRRCVHRATGHEFAVKIMEV---RLSPEQLEEVREATRRETHILRQVAGHPHIITLIDSYESSSFMFLVFDLMRKGELFDYLTE-KVALSEKETRSIMRSLLEAVSFLHANNIVHRDLKPENILLDDNMQIRLSDFGFSCHLEPG-------EKLRELCGTPGYLAPEILKCSMDETHPGYGKEVDLWACGVILFTLLAGSPPFWHRRQILML-RMIMEGQYQFSSPEWDDRSSTVKDLISRLLQVDPEARLTAEQALQHPFFER--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Y7J.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1125 -28757 -25.56 -114.11 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.70 3D Compatibility (PKB) : -25.56 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.502

(partial model without unconserved sides chains): PDB file : Tito_2Y7J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Y7J-query.scw PDB file : Tito_Scwrl_2Y7J.pdb: