Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILTKVEGPNAAGNKVYVFGVNDYRLEVPERYNVQHFVGRGAYGFVCSAVDAVTNEPVAIKKVTHLFDDAVDAKRVLREVKLLAYLKHPNILSLKDLFKSPDPVDTYSELYVVTDLMESDMDAILRSPRIRLAAGHGQYFTLQLLCALQYIHSAHVLHRDLKPGNLLTDSECNLKLGDFGLARGIGHDDTMTQYVFTRWYRPPELLLVCKHCNYSADMWAVGCLAAEMFTGKPLFPGKDYINQINLIVELLGIPDLARDLPPSTSTEAIHYLSSLPPSKGKKLEEYAPELRRRFDETTFYDSFDTELEEAIAAEGATIARPQPRPPEEYYAEFVDFIFGLLRYNPEKRRTAKESIAHAWLSDVRGPQETIGGCEAERIYRWDADGTAFTIPQLRHLFIDEIGKFASTRGS 4YNO Chain:A ((14-351)) --------------------VNKTAWELPKTYVSPTHVGSGAYGSVCSAIDKRSGEKVAIKKLSRPFQSEIFAKRAYRELLLLKHMQHENVIGLLDVFTPASSLRNFYDFYLVMPFMQTDLQKIMG---MEFSEEKIQYLVYQMLKGLKYIHSAGVVHRDLKPGNLAVNEDCELKILDFGLA----------GYVVTRWYRAPEVILSWMHYNQTVDIWSVGCIMAEMLTGKTLFKGKDYLDQLTQILKVTGVPG-TEFVQK------------LNDKAAK---SYIQSLP------------------------QTPRKDFTQLFPRASPQAADLLEKMLELDVDKRLTAAQALTHPFFEPFRDPEEE---TEAQQPFDDSLEHEKLTVDEWKQHIYKEIVNFSP----

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 : 1647 -193335 -117.39 -585.86 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -117.39 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.403

(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: