| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | IRAK4 | IRAK4_HUMAN | 9NA2A | Q9NWZ3 | 164 | 458 | 460.0 | A1BW0:501 | Type1 | Inactive | DFGin | 6.8477 | 13.7307 | BLAminus | -129.5, 174.15 | 76.19, 82.37 | -109.93, 12.46 | 306.46, 102.0 | -68.06, -20.21 | in-out | in | 8.946 | Saltbr-out | 6.2888 | HRD-in | -77.12, -53.15 | 78.59, 0.07 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.704 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.31, 156.05 | APE9-dihe-na | 126.63, -176.29 | APE8-dihe-in | -108.96, 120.82 | APE8-rot-in | 296.98 | APE67-dihe-in | -64.68, -11.03 | -61.41, -36.62 | APE12-dist-in | 9.905 | APE11-dist-in | 11.9527 | APE10-dist-in | 6.5317 | APE9-dist-in | 4.4021 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.99 | 0.206 | 0.246 | A | 304.0 | 293.0 | 2 | 30 | 28 | 2 | [[183, 456]] | 1.0 | 9na2 | TKL_IRAK4_HUMAN | TKL | 4.2e-84 | 288.2 | 5.0 | 266.0 | 262.0 | 328 | 329 | 330 | 332 | 334 | 213 | 233 | 237 | 308 | 310 | 309 | 311.0 | 369 | 358 | 353 | 352 | 351 | 350 | 349 | 348 | 347 | 263 | Interleukin-1 receptor-associated kinase 4 |
| TKL | IRAK4 | IRAK4_HUMAN | 9NA2B | Q9NWZ3 | 165 | 458 | 460.0 | A1BW0:501 | Type1 | Inactive | DFGin | 6.9241 | 14.1302 | BLAminus | -134.63, 174.5 | 75.73, 83.38 | -111.23, 11.86 | 301.94, 95.06 | -63.77, -21.44 | in-out | in | 8.971 | Saltbr-out | 6.13 | HRD-in | -76.54, -51.75 | 76.66, 1.42 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6237 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.09, 160.31 | APE9-dihe-na | 114.91, -171.81 | APE8-dihe-in | -114.31, 117.82 | APE8-rot-in | 292.46 | APE67-dihe-in | -63.01, -16.36 | -51.36, -43.64 | APE12-dist-in | 10.1486 | APE11-dist-in | 11.9934 | APE10-dist-in | 6.6007 | APE9-dist-in | 4.4889 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.99 | 0.206 | 0.246 | B | 304.0 | 287.0 | 7 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9na2 | TKL_IRAK4_HUMAN | TKL | 4.2e-84 | 288.2 | 5.0 | 266.0 | 262.0 | 328 | 329 | 330 | 332 | 334 | 213 | 233 | 237 | 308 | 310 | 309 | 311.0 | 369 | 358 | 353 | 352 | 351 | 350 | 349 | 348 | 347 | 263 | Interleukin-1 receptor-associated kinase 4 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | IRAK4 | IRAK4_HUMAN | 9NA2A | Q9NWZ3 | 164 | 458 | 460.0 | A1BW0:501 | Type1 | Inactive | DFGin | 6.8477 | 13.7307 | BLAminus | -129.5, 174.15 | 76.19, 82.37 | -109.93, 12.46 | 306.46, 102.0 | -68.06, -20.21 | in-out | in | 8.946 | Saltbr-out | 6.2888 | HRD-in | -77.12, -53.15 | 78.59, 0.07 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.704 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.31, 156.05 | APE9-dihe-na | 126.63, -176.29 | APE8-dihe-in | -108.96, 120.82 | APE8-rot-in | 296.98 | APE67-dihe-in | -64.68, -11.03 | -61.41, -36.62 | APE12-dist-in | 9.905 | APE11-dist-in | 11.9527 | APE10-dist-in | 6.5317 | APE9-dist-in | 4.4021 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.99 | 0.206 | 0.246 | A | 304.0 | 293.0 | 2 | 30 | 28 | 2 | [[183, 456]] | 1.0 | 9na2 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.2e-84 | 288.2 | 5.0 | 266.0 | 262.0 | 328 | 329 | 330 | 332 | 334 | 213 | 233 | 237 | 308 | 310 | 309 | 311.0 | 369 | 358 | 353 | 352 | 351 | 350 | 349 | 348 | 347 | 263 | Interleukin-1 receptor-associated kinase 4 |
| TKL | IRAK4 | IRAK4_HUMAN | 9NA2B | Q9NWZ3 | 165 | 458 | 460.0 | A1BW0:501 | Type1 | Inactive | DFGin | 6.9241 | 14.1302 | BLAminus | -134.63, 174.5 | 75.73, 83.38 | -111.23, 11.86 | 301.94, 95.06 | -63.77, -21.44 | in-out | in | 8.971 | Saltbr-out | 6.13 | HRD-in | -76.54, -51.75 | 76.66, 1.42 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6237 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.09, 160.31 | APE9-dihe-na | 114.91, -171.81 | APE8-dihe-in | -114.31, 117.82 | APE8-rot-in | 292.46 | APE67-dihe-in | -63.01, -16.36 | -51.36, -43.64 | APE12-dist-in | 10.1486 | APE11-dist-in | 11.9934 | APE10-dist-in | 6.6007 | APE9-dist-in | 4.4889 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.99 | 0.206 | 0.246 | B | 304.0 | 287.0 | 7 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9na2 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.2e-84 | 288.2 | 5.0 | 266.0 | 262.0 | 328 | 329 | 330 | 332 | 334 | 213 | 233 | 237 | 308 | 310 | 309 | 311.0 | 369 | 358 | 353 | 352 | 351 | 350 | 349 | 348 | 347 | 263 | Interleukin-1 receptor-associated kinase 4 |
| 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 |
|---|