Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEIKEAYQQCGQIVGEYAPACFKALSYLPLKQRQASWAVLSFCHTAAS--------------------------------ADEKVLPAFEAKADHVYQRTNNGKQHLWKAFDHAYRTFTLESEPFREFIAAQKEDAKPYDDLDELLMYAYRTGGAAGLMLLPILTRRKQDQLKQAAVSLGLAIQLVRFLSDLGTDQQKNRI--PRQVMQQFGYTEADLQKGTVNKAFTMTWEYIAFEAEAYLEECQDALPLFPQYSQKTVKAALHLHRAVLEKIRAKQHDVFQYHFALTETEVKQILSDI 3ACY Chain:A ((14-262)) -------FKYCHKIMKKHSKSFSYAFDLLPEDQRKAVWAIYAVCRKIDDSIDVYGDIQFLNQIKEDIQSIEKYPYEYHHFQSDRRIMMALQ----HVAQHKNIAFQSFYNLIDTVYK-----DQHFTMF----ETDA-------ELFGYCYGVAGTVGEVLTPILSDHETHQTYDVARRLGESLQLINILRDVGEDFENERIYFSKQRLKQYEVDIAEVYQNGVNNHYIDLWEYYAAIAEKDFRDVMDQIKVFSIEAQPIIELAARIYIEILDEVR-------------------------

General information: TITO was launched using: RESULT: Template: 3ACY.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 : 902 -131105 -145.35 -609.79 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -145.35 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_3ACY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ACY-query.scw PDB file : Tito_Scwrl_3ACY.pdb: