| Gene | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| IKBKE | AF-Q14164-K1A | Q14164 | 1 | 312 | 716.0 | No_ligand | No_ligand | Active | DFGin | 6.7187 | 13.6744 | BLAminus | -143.72, 178.6 | 61.91, 66.59 | -79.37, 20.21 | 292.68, 88.79 | -65.67, -20.94 | in-in | in | 8.4053 | Saltbr-in | 2.6183 | HRD-in | -84.99, -48.65 | 65.45, 13.11 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9905 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -143.2, 165.5 | APE9-dihe-na | 117.63, -179.67 | APE8-dihe-in | -111.9, 132.86 | APE8-rot-in | 300.02 | APE67-dihe-in | -68.11, -26.98 | -47.69, -41.16 | APE12-dist-in | 8.6424 | APE11-dist-in | 10.2568 | APE10-dist-in | 4.6703 | APE9-dist-in | 3.3599 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 312.0 | 312.0 | 0 | 27 | 27 | 0 | [[9, 256]] | 1.0 | AF-Q14164-K1 | OTHER_IKBKE_HUMAN | STE | 1e-42 | 152.4 | 1.0 | 218.0 | 218.0 | 156 | 157 | 158 | 160 | 162 | 38 | 55 | 59 | 132 | 134 | 133 | 135.0 | 203 | 183 | 178 | 177 | 176 | 175 | 174 | 173 | 172 | 87 | Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
| IKBKE | AF-Q14164-K3A | Q14164 | 1 | 312 | 716.0 | No_ligand | No_ligand | Active | DFGin | 6.5473 | 14.1091 | BLAminus | -144.68, 175.81 | 61.0, 56.02 | -70.82, 14.62 | 292.13, 89.05 | -61.78, -25.15 | in-in | in | 8.1991 | Saltbr-in | 2.6717 | HRD-in | -79.5, -42.13 | 66.9, 7.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8479 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -152.76, 157.28 | APE9-dihe-na | 154.51, 174.08 | APE8-dihe-in | -85.01, 119.62 | APE8-rot-in | 307.91 | APE67-dihe-in | -71.75, -18.82 | -50.25, -42.28 | APE12-dist-in | 8.7594 | APE11-dist-in | 10.579 | APE10-dist-in | 7.1869 | APE9-dist-in | 4.8792 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 312.0 | 312.0 | 0 | 27 | 27 | 0 | [[9, 256]] | 1.0 | AF-Q14164-K3 | OTHER_IKBKE_HUMAN | STE | 1e-42 | 152.4 | 1.0 | 218.0 | 218.0 | 156 | 157 | 158 | 160 | 162 | 38 | 55 | 59 | 132 | 134 | 133 | 135.0 | 203 | 183 | 178 | 177 | 176 | 175 | 174 | 173 | 172 | 87 | Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| IKBKE | IKKE_HUMAN | AF-Q14164-K1A | Q14164 | 1 | 312 | 716.0 | No_ligand | No_ligand | Active | DFGin | 6.7187 | 13.6744 | BLAminus | -143.72, 178.6 | 61.91, 66.59 | -79.37, 20.21 | 292.68, 88.79 | -65.67, -20.94 | in-in | in | 8.4053 | Saltbr-in | 2.6183 | HRD-in | -84.99, -48.65 | 65.45, 13.11 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9905 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -143.2, 165.5 | APE9-dihe-na | 117.63, -179.67 | APE8-dihe-in | -111.9, 132.86 | APE8-rot-in | 300.02 | APE67-dihe-in | -68.11, -26.98 | -47.69, -41.16 | APE12-dist-in | 8.6424 | APE11-dist-in | 10.2568 | APE10-dist-in | 4.6703 | APE9-dist-in | 3.3599 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 312.0 | 312.0 | 0 | 27 | 27 | 0 | [[9, 256]] | 1.0 | AF-Q14164-K1 | Homo sapiens | OTHER_IKBKE_HUMAN | STE | 1e-42 | 152.4 | 1.0 | 218.0 | 218.0 | 156 | 157 | 158 | 160 | 162 | 38 | 55 | 59 | 132 | 134 | 133 | 135.0 | 203 | 183 | 178 | 177 | 176 | 175 | 174 | 173 | 172 | 87 | Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
| IKBKE | IKKE_HUMAN | AF-Q14164-K3A | Q14164 | 1 | 312 | 716.0 | No_ligand | No_ligand | Active | DFGin | 6.5473 | 14.1091 | BLAminus | -144.68, 175.81 | 61.0, 56.02 | -70.82, 14.62 | 292.13, 89.05 | -61.78, -25.15 | in-in | in | 8.1991 | Saltbr-in | 2.6717 | HRD-in | -79.5, -42.13 | 66.9, 7.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8479 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -152.76, 157.28 | APE9-dihe-na | 154.51, 174.08 | APE8-dihe-in | -85.01, 119.62 | APE8-rot-in | 307.91 | APE67-dihe-in | -71.75, -18.82 | -50.25, -42.28 | APE12-dist-in | 8.7594 | APE11-dist-in | 10.579 | APE10-dist-in | 7.1869 | APE9-dist-in | 4.8792 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 312.0 | 312.0 | 0 | 27 | 27 | 0 | [[9, 256]] | 1.0 | AF-Q14164-K3 | Homo sapiens | OTHER_IKBKE_HUMAN | STE | 1e-42 | 152.4 | 1.0 | 218.0 | 218.0 | 156 | 157 | 158 | 160 | 162 | 38 | 55 | 59 | 132 | 134 | 133 | 135.0 | 203 | 183 | 178 | 177 | 176 | 175 | 174 | 173 | 172 | 87 | Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| 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 |
|---|