Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMFNEAAVPFIQTARDNGLLFGGSNVPAMIDYTSEHRKSYHVRGSVFEVAPHFEVLNGIGYGAYGVVCAAVDLRLVASSVYYNEAMRIIEEGGRIVTRQRRGHDAPVYFRTRAVLDEAGRGGPVRVPHLYSEPFKRRVLACGGVSPFVAIKKVTKVFDDLVDGRRILREIKLLRYLQGHPNIVRLMEVGRPHVPTGASSSAAFDDIYLVTDLMDTDLAALLKSSQEIEMDQFRFIAYQLMKVLVYVHSSGVIHRDLKPGNILLNGNCDMKLCDFGLSRGGVPAWPHESTLTAVATAAESSAKELEDWGLFCWSSSAVRGASSAPHAAKQPPLYSLTDYVVTRYYRAPELLIM-GRYNHAIDMWSAGCILAEMLLRRPLFTGANYLSQLALILETPGLRGVPQTPEQVAALFEGGEEGKHFINDILFRKTARGRDSLTLSNQVHSQVLFHSTLFGFNVDIPISLGILIAKLLSFDPRKRPTAVEALRDPFFRPLYDSRDEILRCPASDPSVEREEIDDIAAYQKAHPCVVVDESPVFTWEFDHRITSAQALRSLFEEECQISRDVQQQIERQQRPR 3COI Chain:A ((12-351)) ---------------------------------------QDVNKTAWELPKTYVSPTHVGSGAYGSVCSAIDKR------------------------------------------------------------------SG---EKVAIKKLSRPFQSEIFAKRAYRELLLLKHMQ-HENVIGLLDVFTPASS-----LRNFYDFYLVMPFMQTDLQKIMG--LKFSEEKIQYLVYQMLKGLKYIHSAGVVHRDLKPGNLAVNEDCELKILDFGLARH-----------------------------------------------------------VVTRWYRAPEVILSWMHYNQTVDIWSVGCIMAEMLTGKTLFKGKDYLDQLTQILKVTGV---PG-TEFVQK--LNDKAAKSYIQSLPQTP--------------R--KDFT-QLFP---RASPQAADLLEKMLELDVDKRLTAAQALTHPFFEPFRDPEEETEAQQP------------------------------FDDSLEHEKLTVDEWKQHIYKEIVNFSP------------

General information: TITO was launched using: RESULT: Template: 3COI.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 : 1650 -151247 -91.66 -456.94 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -91.66 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_3COI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3COI-query.scw PDB file : Tito_Scwrl_3COI.pdb: