| 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 | 8OMVC | O14920 | 12 | 664 | 756.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0964 | 11.319 | BLAminus | -107.88, 165.55 | 59.11, 66.52 | -75.63, 95.07 | 269.65, 121.32 | -77.03, -67.33 | in-out | in | 8.4903 | Saltbr-out | 6.4234 | HRD-in | -72.03, -37.96 | 70.51, -11.08 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.0882 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_nnoo | APE10-dihe-na | 999.0, 160.41 | APE9-dihe-na | 157.46, -124.88 | APE8-dihe-in | -136.31, 148.05 | APE8-rot-out | 62.18 | APE67-dihe-out | -121.08, -66.51 | -95.21, 70.5 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.9593 | APE9-dist-out | 9.5088 | S177E,S181E | None | None | XRAY | 4.16 | 0.259 | 0.299 | C | 671.0 | 630.0 | 13 | 27 | 20 | 7 | [[15, 449]] | 1.0 | 8omv | OTHER_IKBKB_HUMAN | OTHER | 2.5e-50 | 178.5 | 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 | 8OMVD | O14920 | 6 | 665 | 756.0 | No_ligand | No_ligand | Inactive | DFGin | 7.863 | 11.9364 | BLAminus | -105.3, 164.79 | 60.63, 66.88 | -81.0, 63.33 | 264.63, 107.01 | -73.78, -34.0 | in-out | in | 9.2733 | Saltbr-out | 4.7503 | HRD-in | -72.17, -36.92 | 69.94, -10.55 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.3343 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_niio | APE10-dihe-na | -141.13, 136.52 | APE9-dihe-na | 129.04, 163.75 | APE8-dihe-in | -138.59, 89.42 | APE8-rot-out | 174.05 | APE67-dihe-out | -100.49, -35.82 | -139.2, 164.47 | APE12-dist-none | 999.0 | APE11-dist-in | 11.2914 | APE10-dist-in | 6.9096 | APE9-dist-out | 9.0653 | S177E,S181E | None | None | XRAY | 4.16 | 0.259 | 0.299 | D | 671.0 | 638.0 | 12 | 27 | 19 | 8 | [[15, 449]] | 1.0 | 8omv | OTHER_IKBKB_HUMAN | OTHER | 2.5e-50 | 178.5 | 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 | 8OMVB | O14920 | 8 | 664 | 756.0 | No_ligand | No_ligand | Inactive | DFGin | 7.6178 | 11.2823 | BLBminus | -108.54, 168.08 | 59.13, 68.65 | -71.93, 172.37 | 306.75, 9.62 | -115.69, -132.64 | in-out | in | 9.6848 | Saltbr-out | 3.9373 | HRD-in | -72.28, -37.94 | 70.43, -9.98 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.5919 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnoo | APE10-dihe-na | 999.0, -5.22 | APE9-dihe-na | -138.83, -131.22 | APE8-dihe-in | -157.95, 113.56 | APE8-rot-in | 300.65 | APE67-dihe-out | -99.01, -1.05 | 179.64, 158.55 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.1428 | APE9-dist-out | 9.7628 | S177E,S181E | None | None | XRAY | 4.16 | 0.259 | 0.299 | B | 671.0 | 641.0 | 16 | 27 | 18 | 9 | [[15, 449]] | 1.0 | 8omv | OTHER_IKBKB_HUMAN | OTHER | 2.5e-50 | 178.5 | 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 | 8OMVE | O14920 | 9 | 643 | 756.0 | No_ligand | No_ligand | Inactive | DFGinter | 7.5361 | 10.9015 | None | -105.5, 166.4 | 59.46, 69.27 | -69.45, 93.59 | 281.39, 127.96 | -78.86, -65.73 | in-out | in | 9.1681 | Saltbr-out | 4.7128 | HRD-in | -72.45, -37.03 | 70.29, -11.28 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.6819 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iiio | APE10-dihe-na | -157.14, 127.84 | APE9-dihe-na | -150.61, -127.8 | APE8-dihe-out | -138.47, -162.6 | APE8-rot-out | 59.63 | APE67-dihe-in | -96.12, -64.95 | -135.66, 0.49 | APE12-dist-in | 9.5508 | APE11-dist-in | 11.2015 | APE10-dist-in | 7.7925 | APE9-dist-out | 7.8966 | S177E,S181E | None | None | XRAY | 4.16 | 0.259 | 0.299 | E | 671.0 | 566.0 | 10 | 27 | 24 | 3 | [[15, 449]] | 1.0 | 8omv | OTHER_IKBKB_HUMAN | OTHER | 2.5e-50 | 178.5 | 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 | 8OMVA | O14920 | 8 | 666 | 756.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -106.7, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | in-in | in | 9.6574 | Saltbr-in | 3.5262 | HRD-in | -71.9, -36.83 | 70.31, -11.77 | in-out-out | SNCioo | out-out | ActLoopNT-out | 4.0623 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -29.13 | APE8-dihe-out | -137.8, 28.35 | APE8-rot-in | 324.42 | APE67-dihe-in | -67.65, -38.83 | -135.68, -11.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 14.0052 | S177E,S181E | None | None | XRAY | 4.16 | 0.259 | 0.299 | A | 671.0 | 636.0 | 19 | 27 | 14 | 13 | [[15, 449]] | 1.0 | 8omv | OTHER_IKBKB_HUMAN | OTHER | 2.5e-50 | 178.5 | 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 | 8OMVC | O14920 | 12 | 664 | 756.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0964 | 11.319 | BLAminus | -107.88, 165.55 | 59.11, 66.52 | -75.63, 95.07 | 269.65, 121.32 | -77.03, -67.33 | in-out | in | 8.4903 | Saltbr-out | 6.4234 | HRD-in | -72.03, -37.96 | 70.51, -11.08 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.0882 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_nnoo | APE10-dihe-na | 999.0, 160.41 | APE9-dihe-na | 157.46, -124.88 | APE8-dihe-in | -136.31, 148.05 | APE8-rot-out | 62.18 | APE67-dihe-out | -121.08, -66.51 | -95.21, 70.5 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.9593 | APE9-dist-out | 9.5088 | S177E,S181E | None | None | XRAY | 4.16 | 0.259 | 0.299 | C | 671.0 | 630.0 | 13 | 27 | 20 | 7 | [[15, 449]] | 1.0 | 8omv | Homo sapiens | OTHER_IKBKB_HUMAN | OTHER | 2.5e-50 | 178.5 | 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 | 8OMVD | O14920 | 6 | 665 | 756.0 | No_ligand | No_ligand | Inactive | DFGin | 7.863 | 11.9364 | BLAminus | -105.3, 164.79 | 60.63, 66.88 | -81.0, 63.33 | 264.63, 107.01 | -73.78, -34.0 | in-out | in | 9.2733 | Saltbr-out | 4.7503 | HRD-in | -72.17, -36.92 | 69.94, -10.55 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.3343 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_niio | APE10-dihe-na | -141.13, 136.52 | APE9-dihe-na | 129.04, 163.75 | APE8-dihe-in | -138.59, 89.42 | APE8-rot-out | 174.05 | APE67-dihe-out | -100.49, -35.82 | -139.2, 164.47 | APE12-dist-none | 999.0 | APE11-dist-in | 11.2914 | APE10-dist-in | 6.9096 | APE9-dist-out | 9.0653 | S177E,S181E | None | None | XRAY | 4.16 | 0.259 | 0.299 | D | 671.0 | 638.0 | 12 | 27 | 19 | 8 | [[15, 449]] | 1.0 | 8omv | Homo sapiens | OTHER_IKBKB_HUMAN | OTHER | 2.5e-50 | 178.5 | 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 | 8OMVB | O14920 | 8 | 664 | 756.0 | No_ligand | No_ligand | Inactive | DFGin | 7.6178 | 11.2823 | BLBminus | -108.54, 168.08 | 59.13, 68.65 | -71.93, 172.37 | 306.75, 9.62 | -115.69, -132.64 | in-out | in | 9.6848 | Saltbr-out | 3.9373 | HRD-in | -72.28, -37.94 | 70.43, -9.98 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.5919 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnoo | APE10-dihe-na | 999.0, -5.22 | APE9-dihe-na | -138.83, -131.22 | APE8-dihe-in | -157.95, 113.56 | APE8-rot-in | 300.65 | APE67-dihe-out | -99.01, -1.05 | 179.64, 158.55 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.1428 | APE9-dist-out | 9.7628 | S177E,S181E | None | None | XRAY | 4.16 | 0.259 | 0.299 | B | 671.0 | 641.0 | 16 | 27 | 18 | 9 | [[15, 449]] | 1.0 | 8omv | Homo sapiens | OTHER_IKBKB_HUMAN | OTHER | 2.5e-50 | 178.5 | 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 | 8OMVE | O14920 | 9 | 643 | 756.0 | No_ligand | No_ligand | Inactive | DFGinter | 7.5361 | 10.9015 | None | -105.5, 166.4 | 59.46, 69.27 | -69.45, 93.59 | 281.39, 127.96 | -78.86, -65.73 | in-out | in | 9.1681 | Saltbr-out | 4.7128 | HRD-in | -72.45, -37.03 | 70.29, -11.28 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.6819 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iiio | APE10-dihe-na | -157.14, 127.84 | APE9-dihe-na | -150.61, -127.8 | APE8-dihe-out | -138.47, -162.6 | APE8-rot-out | 59.63 | APE67-dihe-in | -96.12, -64.95 | -135.66, 0.49 | APE12-dist-in | 9.5508 | APE11-dist-in | 11.2015 | APE10-dist-in | 7.7925 | APE9-dist-out | 7.8966 | S177E,S181E | None | None | XRAY | 4.16 | 0.259 | 0.299 | E | 671.0 | 566.0 | 10 | 27 | 24 | 3 | [[15, 449]] | 1.0 | 8omv | Homo sapiens | OTHER_IKBKB_HUMAN | OTHER | 2.5e-50 | 178.5 | 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 | 8OMVA | O14920 | 8 | 666 | 756.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -106.7, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | in-in | in | 9.6574 | Saltbr-in | 3.5262 | HRD-in | -71.9, -36.83 | 70.31, -11.77 | in-out-out | SNCioo | out-out | ActLoopNT-out | 4.0623 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -29.13 | APE8-dihe-out | -137.8, 28.35 | APE8-rot-in | 324.42 | APE67-dihe-in | -67.65, -38.83 | -135.68, -11.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 14.0052 | S177E,S181E | None | None | XRAY | 4.16 | 0.259 | 0.299 | A | 671.0 | 636.0 | 19 | 27 | 14 | 13 | [[15, 449]] | 1.0 | 8omv | Homo sapiens | OTHER_IKBKB_HUMAN | OTHER | 2.5e-50 | 178.5 | 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 |
|---|