Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAEIESHILKKYEIQAQLGQGAYGIVWRALERKHNRVVALKKIYDAFQNSTDAQRTFREIMFLHRLHHPNIIKLLHVHRAFND----RDIYLVFEYMETDLHVVIRANILEEIHKQFIIYQLLKTMKYLHSAEILHRDMKPSNLLVNSDCTMKVADFGLARSILSLEGEQASRPVLTDYIATRWYRPPEILLGSTRYTKGVDMWSVGCILGELMLGKPIFPGRSTTNQLELICSVTGMPSAADVAATNSQFAHAMLRDIHCAHRRTFAELLPSASADALDLIERLMCFNPNRRMTAAEALEHPYVAAFHRPDDEPVATEPITVSLPDSQRLPLAKYRDAIYEQIAALRRSSTSADQRQRAERQAAGSTASRKTSVSSASAGGSRGGTGTSGVTRPATSSSSSAAAGAAPQRSVVKPTSTSAVNEASSSKAYARPAFRSATSAASGLESRPVAREAAVRK 4YNO Chain:A ((20-347)) -------ELPKTYVSPTHVGSGAYGSVCSAIDKRSGEKVAIKKLSRPFQSEIFAKRAYRELLLLKHMQHENVIGLLDVFTPASSLRNFYDFYLVMPFMQTDLQKIMG-MEFSEEKIQYLVYQMLKGLKYIHSAGVVHRDLKPGNLAVNEDCELKILDFGLA-----------------GYVVTRWYRAPEVILSWMHYNQTVDIWSVGCIMAEMLTGKTLFKGKDYLDQLTQILKVTGVPGTEFVQKLNDKAAKSYIQSLPQTPRKDFTQLFPRASPQAADLLEKMLELDVDKRLTAAQALTHPFFEPFRDPEEETEAQQPFDDSL-EHEKLTVDEWKQHIYKEIV------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YNO.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 : 1564 -70925 -45.35 -224.45 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -45.35 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_4YNO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YNO-query.scw PDB file : Tito_Scwrl_4YNO.pdb: