Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLNKYIDHTLLKQDAKKKQIDSLLSEAREYGFASVCVNPTWVEHAKKGLEGTDVKVCTVVGFPLGATTSAVKAFETKEAIQNGADEIDMVINVGALKSGNLALVESDIRAVVEASGDKLVKVIIEACLLTDQEKIVVCQLAQKAGADFVKTSTGFSTGGATIADVTLMRETVGSDMGVKAAGGARSYADALAFVEAGATRIGTSAGVAILKGELADGDY 3NGJ Chain:D ((25-238)) ATLAKYIDHTLLKADATEEQIRKLCSEAAEYKFASVCVNPTWVPLCAELLKGTGVKVCTVIGFPLGATPSEVKAYETKVAVEQGAEEVDMVINIGMVKAKKYDDVEKDVKAVVDASGKALTKVIIECCYLTNEEKVEVCKRCVAAGAEYVKTSTGFGTHGATPEDVKLMKDTVGDKALVKAAGGIRTFDDAMKMINNGASRIGASAGIAILNGI------

General information: TITO was launched using: RESULT: Template: 3NGJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1292 -143532 -111.09 -670.71 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain D : 0.88 3D Compatibility (PKB) : -111.09 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.573

(partial model without unconserved sides chains): PDB file : Tito_3NGJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NGJ-query.scw PDB file : Tito_Scwrl_3NGJ.pdb: