| 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 | IKBKB | IKKB_HUMAN | AF-O14920-K1A | O14920 | 7 | 316 | 756.0 | No_ligand | No_ligand | Active | DFGin | 5.7517 | 12.4893 | BLAminus | -126.26, 179.48 | 57.5, 66.07 | -76.3, 19.61 | 299.61, 8.49 | -59.99, -32.45 | in-in | in | 8.2391 | Saltbr-in | 2.629 | HRD-in | -81.33, -51.39 | 65.56, 14.54 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9645 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.53, 154.84 | APE9-dihe-na | 116.37, 176.3 | APE8-dihe-in | -92.66, 124.92 | APE8-rot-in | 300.66 | APE67-dihe-in | -71.88, -14.8 | -44.22, -44.73 | APE12-dist-in | 8.6962 | APE11-dist-in | 11.3046 | APE10-dist-in | 5.5182 | APE9-dist-in | 3.4041 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 310.0 | 310.0 | 0 | 27 | 27 | 0 | [[15, 449]] | 1.0 | AF-O14920-K1 | OTHER_IKBKB_HUMAN | OTHER | 1.1e-51 | 181.8 | 1.0 | 249.0 | 249.0 | 165 | 166 | 167 | 169 | 171 | 44 | 61 | 65 | 142 | 144 | 143 | 145.0 | 204 | 192 | 187 | 186 | 185 | 184 | 183 | 182 | 181 | 97 | Inhibitor of nuclear factor kappa-B kinase subunit beta |
| OTHER | IKBKB | IKKB_HUMAN | AF-O14920-K3A | O14920 | 7 | 316 | 756.0 | No_ligand | No_ligand | Active | DFGin | 5.5819 | 12.3433 | BLAminus | -132.39, 175.64 | 61.02, 71.13 | -79.51, 18.58 | 302.46, 7.63 | -62.8, -20.15 | in-in | in | 8.2808 | Saltbr-in | 2.6732 | HRD-in | -75.95, -49.61 | 66.27, 1.06 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.93 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -153.0, 159.82 | APE9-dihe-na | 103.19, -179.04 | APE8-dihe-in | -94.98, 120.71 | APE8-rot-in | 301.22 | APE67-dihe-in | -70.58, -17.32 | -47.51, -36.7 | APE12-dist-in | 8.7646 | APE11-dist-in | 11.1224 | APE10-dist-in | 5.289 | APE9-dist-in | 3.4445 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 310.0 | 310.0 | 0 | 27 | 27 | 0 | [[15, 449]] | 1.0 | AF-O14920-K3 | OTHER_IKBKB_HUMAN | OTHER | 1.1e-51 | 181.8 | 1.0 | 249.0 | 249.0 | 165 | 166 | 167 | 169 | 171 | 44 | 61 | 65 | 142 | 144 | 143 | 145.0 | 204 | 192 | 187 | 186 | 185 | 184 | 183 | 182 | 181 | 97 | Inhibitor of nuclear factor kappa-B kinase subunit beta |
| 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 | IKBKB | IKKB_HUMAN | AF-O14920-K1A | O14920 | 7 | 316 | 756.0 | No_ligand | No_ligand | Active | DFGin | 5.7517 | 12.4893 | BLAminus | -126.26, 179.48 | 57.5, 66.07 | -76.3, 19.61 | 299.61, 8.49 | -59.99, -32.45 | in-in | in | 8.2391 | Saltbr-in | 2.629 | HRD-in | -81.33, -51.39 | 65.56, 14.54 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9645 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.53, 154.84 | APE9-dihe-na | 116.37, 176.3 | APE8-dihe-in | -92.66, 124.92 | APE8-rot-in | 300.66 | APE67-dihe-in | -71.88, -14.8 | -44.22, -44.73 | APE12-dist-in | 8.6962 | APE11-dist-in | 11.3046 | APE10-dist-in | 5.5182 | APE9-dist-in | 3.4041 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 310.0 | 310.0 | 0 | 27 | 27 | 0 | [[15, 449]] | 1.0 | AF-O14920-K1 | Homo sapiens | OTHER_IKBKB_HUMAN | OTHER | 1.1e-51 | 181.8 | 1.0 | 249.0 | 249.0 | 165 | 166 | 167 | 169 | 171 | 44 | 61 | 65 | 142 | 144 | 143 | 145.0 | 204 | 192 | 187 | 186 | 185 | 184 | 183 | 182 | 181 | 97 | Inhibitor of nuclear factor kappa-B kinase subunit beta |
| OTHER | IKBKB | IKKB_HUMAN | AF-O14920-K3A | O14920 | 7 | 316 | 756.0 | No_ligand | No_ligand | Active | DFGin | 5.5819 | 12.3433 | BLAminus | -132.39, 175.64 | 61.02, 71.13 | -79.51, 18.58 | 302.46, 7.63 | -62.8, -20.15 | in-in | in | 8.2808 | Saltbr-in | 2.6732 | HRD-in | -75.95, -49.61 | 66.27, 1.06 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.93 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -153.0, 159.82 | APE9-dihe-na | 103.19, -179.04 | APE8-dihe-in | -94.98, 120.71 | APE8-rot-in | 301.22 | APE67-dihe-in | -70.58, -17.32 | -47.51, -36.7 | APE12-dist-in | 8.7646 | APE11-dist-in | 11.1224 | APE10-dist-in | 5.289 | APE9-dist-in | 3.4445 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 310.0 | 310.0 | 0 | 27 | 27 | 0 | [[15, 449]] | 1.0 | AF-O14920-K3 | Homo sapiens | OTHER_IKBKB_HUMAN | OTHER | 1.1e-51 | 181.8 | 1.0 | 249.0 | 249.0 | 165 | 166 | 167 | 169 | 171 | 44 | 61 | 65 | 142 | 144 | 143 | 145.0 | 204 | 192 | 187 | 186 | 185 | 184 | 183 | 182 | 181 | 97 | Inhibitor of nuclear factor kappa-B kinase subunit beta |
| 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 |
|---|