Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMFNEAAVPFIQTARDNGLLFGGSNVPAMIDYTSEHRKSYHVRGSVFEVAPHFEVLNGIGYGAYGVVCAAVDLRLVASSVYYNEAMRIIEEGGRIVTRQRRGHDAPVYFRTRAVLDEAGRGGPVRVPHLYSEPFKRRVLACGGVSPFVAIKKVTKVFDDLVDGRRILREIKLLRYLQGHPNIVRLMEVGRPHVPTGASSSAAFDDIYLVTDLMDTDLAALLKSSQEIEMDQFRFIAYQLMKVLVYVHSSGVIHRDLKPGNILLNGNCDMKLCDFGLSRGGVPAWPHESTLTAVATAAESSAKELEDWGLFCWSSSAVRGASSAPHAAKQPPLYSLTDYVVTRYYRAPELLIM-GRYNHAIDMWSAGCILAEMLLRRPLFTGANYLSQLA-----------------LILETPGLRGVPQTPEQVAALFEGGEEGKHFINDILFRKTARGRDSLTLSNQVHSQVLFHSTLFGFNVDIPISLGILIAKLLSFDPRKRPTAVEALRDPFFRPLYDSRDEILRCPASDPSVEREEIDDIAAYQKAHPCVVVDESPVFTWEFDH-RITSAQALRSLFEEECQISRDVQQQIERQQRPR 3N9X Chain:B ((22-411)) ----------------------------------------------VHVPDNYIIKHLIGRGSYGYVYLAYDKN------------------------------------------------------------------TE---KNVAIKKVNRMFEDLIDCKRILREITILNRLK-SDYIIRLYDLIIPDD------LLKFDELYIVLEIADSDLKKLFKTPIFLTEEHIKTILYNLLLGENFIHESGIIHRDLKPANCLLNQDCSVKVCDFGLARTIN-------------------------------------------------------SHVVTRWYRAPELILLQENYTKSIDIWSTGCIFAELLNMLQSHINDPTNRFPLFPGSSCFHEKSNRDQLNIIFNIIGT---PT-EDDLKN--I-KPEVIKYIKLFPHRK--------------P----I--NLKQKYPSISDDGINLLESMLKFNPNKRITIDQALDHPYLKDVRKKKLE---TKK------------------------------IILPFDDWMVLSETQLRYIFLKEVQSFHPEL----------

General information: TITO was launched using: RESULT: Template: 3N9X.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1590 -144894 -91.13 -443.10 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -91.13 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_3N9X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N9X-query.scw PDB file : Tito_Scwrl_3N9X.pdb: