| 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 | AF-O15111-K1A | O15111 | 7 | 317 | 745.0 | No_ligand | No_ligand | Active | DFGin | 5.7042 | 12.0896 | BLAminus | -127.62, 177.04 | 62.52, 68.46 | -82.08, 19.91 | 301.08, 3.12 | -65.11, -21.3 | in-in | in | 8.2786 | Saltbr-in | 2.5988 | HRD-in | -74.14, -49.8 | 66.35, 2.91 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9619 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -144.32, 159.76 | APE9-dihe-na | 113.86, -177.42 | APE8-dihe-in | -101.61, 123.11 | APE8-rot-in | 299.17 | APE67-dihe-in | -65.21, -21.74 | -44.12, -40.19 | APE12-dist-in | 8.5743 | APE11-dist-in | 11.2175 | APE10-dist-in | 5.3345 | APE9-dist-in | 3.343 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 311.0 | 311.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | AF-O15111-K1 | OTHER_CHUK_HUMAN | OTHER | 8.9e-53 | 185.4 | 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 | AF-O15111-K3A | O15111 | 7 | 317 | 745.0 | No_ligand | No_ligand | Active | DFGin | 5.7927 | 12.3189 | BLAminus | -129.7, 178.58 | 58.9, 65.09 | -77.77, 19.68 | 299.27, 6.24 | -65.69, -21.41 | in-in | in | 8.2382 | Saltbr-in | 2.6177 | HRD-in | -75.09, -46.34 | 64.31, 13.49 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0007 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -146.99, 156.79 | APE9-dihe-na | 112.3, -173.76 | APE8-dihe-in | -103.27, 125.01 | APE8-rot-in | 297.57 | APE67-dihe-in | -71.46, -14.09 | -48.66, -37.2 | APE12-dist-in | 8.2661 | APE11-dist-in | 11.2166 | APE10-dist-in | 5.3215 | APE9-dist-in | 3.3082 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 311.0 | 311.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | AF-O15111-K3 | OTHER_CHUK_HUMAN | OTHER | 8.9e-53 | 185.4 | 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 | AF-O15111-K1A | O15111 | 7 | 317 | 745.0 | No_ligand | No_ligand | Active | DFGin | 5.7042 | 12.0896 | BLAminus | -127.62, 177.04 | 62.52, 68.46 | -82.08, 19.91 | 301.08, 3.12 | -65.11, -21.3 | in-in | in | 8.2786 | Saltbr-in | 2.5988 | HRD-in | -74.14, -49.8 | 66.35, 2.91 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9619 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -144.32, 159.76 | APE9-dihe-na | 113.86, -177.42 | APE8-dihe-in | -101.61, 123.11 | APE8-rot-in | 299.17 | APE67-dihe-in | -65.21, -21.74 | -44.12, -40.19 | APE12-dist-in | 8.5743 | APE11-dist-in | 11.2175 | APE10-dist-in | 5.3345 | APE9-dist-in | 3.343 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 311.0 | 311.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | AF-O15111-K1 | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 8.9e-53 | 185.4 | 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 | AF-O15111-K3A | O15111 | 7 | 317 | 745.0 | No_ligand | No_ligand | Active | DFGin | 5.7927 | 12.3189 | BLAminus | -129.7, 178.58 | 58.9, 65.09 | -77.77, 19.68 | 299.27, 6.24 | -65.69, -21.41 | in-in | in | 8.2382 | Saltbr-in | 2.6177 | HRD-in | -75.09, -46.34 | 64.31, 13.49 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0007 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -146.99, 156.79 | APE9-dihe-na | 112.3, -173.76 | APE8-dihe-in | -103.27, 125.01 | APE8-rot-in | 297.57 | APE67-dihe-in | -71.46, -14.09 | -48.66, -37.2 | APE12-dist-in | 8.2661 | APE11-dist-in | 11.2166 | APE10-dist-in | 5.3215 | APE9-dist-in | 3.3082 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 311.0 | 311.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | AF-O15111-K3 | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 8.9e-53 | 185.4 | 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 |
|---|