Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQLLQDSWWNQLKEEFEKPY-YQELREMLKREYAEQTIYPDSRDIFNALHYTSYDDVKVVILGQDPYHGPGQAQGLSFSVKPGVKQPPSLKNIFLELQQDIGCSIPNHGSLVSWAKQGVLLLNTVLTVRRGQANSHKGKGWERLTDRIIDVLSERERPVIFILWGRHAQMKKERIDTSKHFIIESTHPSPFSARNGFFGSRPFSRANAYLEKMGEAPIDWCIKDL 3WDF Chain:A ((3-214)) ---------WSQIFHDITTKHDFKAMHDFLEKEYSTAIVYPDRENIYQAFDLTPFENIKVVILGQDPYHGPNQAHGLAFSVQPNAKFPPSLRNMYKELADDIGC-VRQTPHLQDWAREGVLLLNTVLTVRQGEANSHRDIGWETFTDEIIKAVSDYKEHVVFILWGKPAQQKIKLIDTSKHCIIKSVHPSPLSAYRGFFGSKPYSKANTYLESVGKSPINWC----

General information: TITO was launched using: RESULT: Template: 3WDF.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 : 1068 -14839 -13.89 -70.32 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -13.89 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.632

(partial model without unconserved sides chains): PDB file : Tito_3WDF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WDF-query.scw PDB file : Tito_Scwrl_3WDF.pdb: