| 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 | 4KIKA | O14920 | 9 | 663 | 756.0 | KSA:60800 | Type1 | Inactive | DFGin | 6.178 | 12.724 | BLAminus | -127.36, 175.43 | 56.16, 79.78 | -104.55, 41.64 | 323.18, 179.99 | -47.28, 146.96 | in-in | in | 8.4631 | Saltbr-in | 2.9853 | HRD-in | -64.56, -53.95 | 76.42, -28.17 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -61.34, -25.34 | APE9-dihe-na | -61.49, -48.74 | APE8-dihe-out | -60.84, -33.61 | APE8-rot-out | 70.5 | APE67-dihe-in | -55.1, -27.97 | -77.97, -16.15 | APE12-dist-out | 22.3784 | APE11-dist-out | 21.1544 | APE10-dist-out | 23.5621 | APE9-dist-out | 12.5036 | None | SEP257 | SEP257 | XRAY | 2.83 | 0.186 | 0.236 | A | 677.0 | 619.0 | 17 | 27 | 17 | 10 | [[15, 449]] | 1.0 | 4kik | OTHER_IKBKB_HUMAN | OTHER | 1.1e-50 | 180.0 | 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 | 4KIKB | O14920 | 2 | 663 | 756.0 | KSA:60700 | Type1 | Active | DFGin | 5.8841 | 12.1525 | BLAminus | -125.87, 177.92 | 56.45, 91.03 | -106.12, 30.12 | 279.95, 121.49 | -75.67, -15.82 | in-in | in | 8.4336 | Saltbr-in | 3.0235 | HRD-in | -64.36, -54.26 | 72.29, -3.36 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0741 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.33, 150.83 | APE9-dihe-na | 128.58, -160.18 | APE8-dihe-in | -124.05, 125.13 | APE8-rot-in | 284.23 | APE67-dihe-in | -62.44, -27.05 | -45.7, -44.8 | APE12-dist-in | 7.899 | APE11-dist-in | 11.0492 | APE10-dist-in | 5.0684 | APE9-dist-in | 3.4557 | None | SEP177,SEP181 | SEP177,SEP181 | XRAY | 2.83 | 0.186 | 0.236 | B | 677.0 | 649.0 | 3 | 27 | 24 | 3 | [[15, 449]] | 1.0 | 4kik | OTHER_IKBKB_HUMAN | OTHER | 1.1e-50 | 180.0 | 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 | 4KIKA | O14920 | 9 | 663 | 756.0 | KSA:60800 | Type1 | Inactive | DFGin | 6.178 | 12.724 | BLAminus | -127.36, 175.43 | 56.16, 79.78 | -104.55, 41.64 | 323.18, 179.99 | -47.28, 146.96 | in-in | in | 8.4631 | Saltbr-in | 2.9853 | HRD-in | -64.56, -53.95 | 76.42, -28.17 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -61.34, -25.34 | APE9-dihe-na | -61.49, -48.74 | APE8-dihe-out | -60.84, -33.61 | APE8-rot-out | 70.5 | APE67-dihe-in | -55.1, -27.97 | -77.97, -16.15 | APE12-dist-out | 22.3784 | APE11-dist-out | 21.1544 | APE10-dist-out | 23.5621 | APE9-dist-out | 12.5036 | None | SEP257 | SEP257 | XRAY | 2.83 | 0.186 | 0.236 | A | 677.0 | 619.0 | 17 | 27 | 17 | 10 | [[15, 449]] | 1.0 | 4kik | Homo sapiens | OTHER_IKBKB_HUMAN | OTHER | 1.1e-50 | 180.0 | 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 | 4KIKB | O14920 | 2 | 663 | 756.0 | KSA:60700 | Type1 | Active | DFGin | 5.8841 | 12.1525 | BLAminus | -125.87, 177.92 | 56.45, 91.03 | -106.12, 30.12 | 279.95, 121.49 | -75.67, -15.82 | in-in | in | 8.4336 | Saltbr-in | 3.0235 | HRD-in | -64.36, -54.26 | 72.29, -3.36 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0741 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.33, 150.83 | APE9-dihe-na | 128.58, -160.18 | APE8-dihe-in | -124.05, 125.13 | APE8-rot-in | 284.23 | APE67-dihe-in | -62.44, -27.05 | -45.7, -44.8 | APE12-dist-in | 7.899 | APE11-dist-in | 11.0492 | APE10-dist-in | 5.0684 | APE9-dist-in | 3.4557 | None | SEP177,SEP181 | SEP177,SEP181 | XRAY | 2.83 | 0.186 | 0.236 | B | 677.0 | 649.0 | 3 | 27 | 24 | 3 | [[15, 449]] | 1.0 | 4kik | Homo sapiens | OTHER_IKBKB_HUMAN | OTHER | 1.1e-50 | 180.0 | 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 |
|---|