| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | CHUK | IKKA_HUMAN | 5TQXA | O15111 | 14 | 660 | 745.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -93.75, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | in-out | in | 8.51 | Saltbr-out | 4.44 | HRD-in | -71.13, -57.89 | 73.32, -12.23 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 106.71 | APE8-rot-in | 303.99 | APE67-dihe-in | -76.84, -13.71 | -97.01, -2.06 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | S176E,S180E | None | None | EM | 5.4 | 999.0 | 999.0 | A | 655.0 | 563.0 | 54 | 27 | 8 | 19 | [[15, 294]] | 1.0 | 5tqx | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5TQXB | O15111 | 14 | 660 | 745.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -93.81, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | in-out | in | 8.5098 | Saltbr-out | 4.4397 | HRD-in | -71.08, -57.92 | 73.39, -12.25 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 106.81 | APE8-rot-in | 303.97 | APE67-dihe-in | -76.86, -13.71 | -97.1, -2.05 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | S176E,S180E | None | None | EM | 5.4 | 999.0 | 999.0 | B | 655.0 | 563.0 | 54 | 27 | 8 | 19 | [[15, 294]] | 1.0 | 5tqx | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | CHUK | IKKA_HUMAN | 5TQXA | O15111 | 14 | 660 | 745.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -93.75, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | in-out | in | 8.51 | Saltbr-out | 4.44 | HRD-in | -71.13, -57.89 | 73.32, -12.23 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 106.71 | APE8-rot-in | 303.99 | APE67-dihe-in | -76.84, -13.71 | -97.01, -2.06 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | S176E,S180E | None | None | EM | 5.4 | 999.0 | 999.0 | A | 655.0 | 563.0 | 54 | 27 | 8 | 19 | [[15, 294]] | 1.0 | 5tqx | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5TQXB | O15111 | 14 | 660 | 745.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -93.81, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | in-out | in | 8.5098 | Saltbr-out | 4.4397 | HRD-in | -71.08, -57.92 | 73.39, -12.25 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 106.81 | APE8-rot-in | 303.97 | APE67-dihe-in | -76.86, -13.71 | -97.1, -2.05 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | S176E,S180E | None | None | EM | 5.4 | 999.0 | 999.0 | B | 655.0 | 563.0 | 54 | 27 | 8 | 19 | [[15, 294]] | 1.0 | 5tqx | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|