Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRMHLPTLLKNKEKSQRSRQMSSSKTIGIIGGGQLGQMMAISAIYMGHKVIALDPAADCPASRVA-EIIVAPYNDVDALRQLADRCDVLTYEFENVDADGLDAVIK-DGQLPQGTDLLRISQNRIFEKDFLSNKSQVTVAPYKVVTSSLDLADI--DLSKNYVLKTATGGY-DGHGQKVIRSEADLEAAYALADSADCVLEEFVNFDLEISVIVSGN-GKEVTFFPVQENIHRNNILSKTIVPARISESLVDKAKAMAVRIAEQLNLSGTLCVEMFATDD-DVIVNEIAPRPHNSGHYSIEACDFSQFDTHILGVLGAPLPVIKLHAPAVMLNVLGQ--HVEAAEQYVTENSSAHLHMYGKIEAKHNRKMGHVTLFSDVPDSVDELGEGIDF 4DLK Chain:B ((3-370)) ------------------RIILPGKTIGIIGGGQLGRMMALAAKEMGYKIAVLDPTKNSPCAQVADIEIVASYDDLKAIQHLAEISDVVTYEFENIDYRCLQWLEKHAYL-PQGSQLLSKTQNRFTEKNAIE-KAGLPVATYRLVQNQEQLTEAIAELSYPSVLKTTT-GGYDGKGQVVLRSEADVDEARKLANAAECILEKWVPFEKEVSVIVIRSVSGETKVFPVAENIHVNNILHESIVPARITEELSQKAIAYAKVLADELELVGTLAVEMFATADGEIYINELAPRPHNSGHYTQDACETSQFGQHIRAICNLPLGETNLLKPVVMVNILGEHIEGVL--RQVNRLTGCYLHLYGKEEAKAQRKMGHVNILNDNIEVALEKAKSLH-

General information: TITO was launched using: RESULT: Template: 4DLK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2088 30464 14.59 84.86 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : 14.59 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_4DLK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DLK-query.scw PDB file : Tito_Scwrl_4DLK.pdb: