Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQAIPWRDRSFRERFERWIEANVPNATWHV-IKDTDLTYLLVGALNE--ERYYAKAVT----DISRGEAGLSAFLAERHPDFVPDVIAIDS--ARNWLLMRDIGGEALRER-P-----DVRRYEAALRQYAQLQRQEIDQIETYLSYGIPDRRPATLKDEIQTYLPEL---CAGLDRHQAEAMLALQDELLTMCDELATGMPMSLEHGDLHGGNIFWRERTNDLCILDWGDATVTHPFFSVRVFWNALYDLLPEEDEVAWYKQIQTMRTVYLEAWSGVAPKDVLWRHLLIAEELGCVYRALSWHVYVTRYRYDVAESSDKPAQWLNFLLEYRDLKRRFP 4GKH Chain:A ((19-254)) ------------------NLDADLYGYRWARDNVGQSGATIYRLYGKPNAPELFLKHGKGSVANDVTDEMVRLNWLTAF--MPLPTIKHFIRTPDDAWLLTTAIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPF------NSDRVFRLAQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLP---FSPDSVVTHGDFSLDNLIFDE-GKLIGCIDVGRVGIADRYQDLAILWNCLGE---FS-----PSLQKRLFQKYGI------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GKH.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 : 909 -14199 -15.62 -65.13 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -15.62 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.241

(partial model without unconserved sides chains): PDB file : Tito_4GKH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4gkh-query.scw PDB file : Tito_Scwrl_4GKH.pdb: