Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMFNEAAVPFIQTARDNGLLFGGSNVPAMIDYTSEHRKSYHVRGSVFEVAPHFEVLNGIGYGAYGVVCAAVDLRLVASSVYYNEAMRIIEEGGRIVTRQRRGHDAPVYFRTRAVLDEAGRGGPVRVPHLYSEPFKRRVLACGGVSPFVAIKKVTKVFDDLVDGRRILREIKLLRYLQGHPNIVRLMEVGRPHVPTGASSSAAFDDIYLVTDLMDTDLAALLKSSQEIEMDQFRFIAYQLMKVLVYVHSSGVIHRDLKPGNILLNGNCDMKLCDFGLSRGGVPAWPHESTLTAVATAAESSAKELEDWGLFCWSSSAVRGASSAPHAAKQPPLYSLTDYVVTRYYRAPELLIM-GRYNHAIDMWSAGCILAEMLLRRPLFTGANYLSQLALILETPGLRGVPQTPEQVAALFEGGEEGKHFINDILFRKTARGRDSLTLSNQVHSQVLFHSTLFGFNVDIPISLGILIAKLLSFDPRKRPTAVEALRDPFFRPLYDSRDEILRCPASDPSVEREEIDDIAAYQKAHPCVVVDESPVFTWEFDHRITSAQALRSLFEEECQISRDVQQQIERQQRPR 4ZZN Chain:A ((4-345)) -----------------------------------------VRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNL------------------------------------------------------------------NK---VRVAIKKISPFE-HQTYCQRTLREIKILLRFR-HENIIGINDIIRAPT------IEQMKDVYIVQDLMETDLYKLLKT-QHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHD---------------------------------------------HTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGS---PS-QEDLNC--IINLKARNYLLSLPHKNK------------VP----WN-RLFP---NADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAP------------------------------F------DDLPKEKLKELIFEETARFQ-------------

General information: TITO was launched using: RESULT: Template: 4ZZN.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 : 1711 -155318 -90.78 -463.63 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -90.78 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.475

(partial model without unconserved sides chains): PDB file : Tito_4ZZN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZZN-query.scw PDB file : Tito_Scwrl_4ZZN.pdb: