Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIQVKNIEKHFGAFHALKNISLDFPEGELVALLGPSGCGKTTLLRIIAGLESAEGGQVLLEGEYATNVHVRERQVGFVFQHYALFRHMTVFDNIAFGLRVRPRATRPSEAEIKKRVTRLLDLVQLGFLADRYPAQLSGGQRQRIALARALAVEPRVLLLDEPFGALDAKVRKELRRWLRNLHDELHITSIFVTHDQEEALEVADQIIVMNKGNVEQIGSLREVYEKPATPFVFDFLGQANRFEGEHASGIIRIGNDRIELPTTVQAPQGKVIAFARPDELHIHAQPQANTIEATFVREVWIAGKVVAELQDRNGRLIEIALSSEAAKQHAFKPNQTVWVSASQLHLFADQVA 3PUV Chain:A ((3-235)) -SVQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKL---AGAKKEV-INQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIG-------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PUV.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 : 1160 -173825 -149.85 -746.03 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -149.85 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.574

(partial model without unconserved sides chains): PDB file : Tito_3PUV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUV-query.scw PDB file : Tito_Scwrl_3PUV.pdb: