Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMFNEAAVPFIQTARDNGLLFGGSNVPAMIDYTSEHRKSYHVRGSVFEVAPHFEVLNGIGYGAYGVVCAAVDLRLVASSVYYNEAMRIIEEGGRIVTRQRRGHDAPVYFRTRAVLDEAGRGGPVRVPHLYSEPFKRRVLACGGVSPFVAIKKVTKVFDDLVDGRRILREIKLLRYLQGHPNIVRLMEVGRPHVPTGASSSAAFDDIYLVTDLMDTDLAALLKSSQEIEMDQFRFIAYQLMKVLVYVHSSGVIHRDLKPGNILLNGNCDMKLCDFGLSRGGVPAWPHESTLTAVATAAESSAKELEDWGLFCWSSSAVRGASSAPHAAKQPPLYSLTDYVVTRYYRAPELLIM-GRYNHAIDMWSAGCILAEMLLRRPLFTGANYLSQLALILETPGLRGVPQTPEQVAALFEGGEEGKHFINDILFRKTARGRDSLTLSNQVHSQVLFHSTLFGFNVDIPISLGILIAKLLSFDPRKRPTAVEALRDPFFRPLYDSRDEILRCPASDPSVEREEIDDIAAYQKAHPCVVVDESPVFTWEFDHRITSAQALRSLFEEECQISRDVQQQIERQQRPR 4XNE Chain:A ((5-346)) ------------------------------------------RGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNL------------------------------------------------------------------NK---VRVAIKKISPFE-HQTYCQRTLREIKILLRFR-HENIIGINDIIRAPT------IEQMKDVYIVQDLMETDLYKLLKT-QHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHD---------------------------------------------HTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGS---PS-QEDLNC--IINLKARNYLLSLPHKNKV------------P----WN-RLF---PNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAP------------------------------FKFDMELDDLPKEKLKELIFEETARFQP------------

General information: TITO was launched using: RESULT: Template: 4XNE.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 : 1671 -146271 -87.53 -428.95 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -87.53 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_4XNE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XNE-query.scw PDB file : Tito_Scwrl_4XNE.pdb: