| 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 | 6RFJA | Q9NWZ3 | 165 | 458 | 460.0 | K1E:501 | Type1 | Inactive | DFGin | 6.7312 | 14.2145 | BLAminus | -138.26, 177.45 | 62.01, 88.8 | -111.36, 12.54 | 307.73, 96.46 | -63.8, -18.03 | in-out | in | 8.9085 | Saltbr-out | 4.5689 | HRD-in | -70.21, -47.87 | 75.12, -3.47 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7494 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.34, 157.08 | APE9-dihe-na | 130.62, -174.05 | APE8-dihe-in | -112.58, 112.94 | APE8-rot-in | 303.06 | APE67-dihe-in | -64.16, -16.63 | -45.12, -46.37 | APE12-dist-in | 9.991 | APE11-dist-in | 11.846 | APE10-dist-in | 6.2324 | APE9-dist-in | 3.6713 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.61 | 0.245 | 0.254 | A | 322.0 | 268.0 | 26 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6rfj | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 6RFJB | Q9NWZ3 | 164 | 458 | 460.0 | K1E:502 | Type1 | Inactive | DFGin | 6.98 | 14.2477 | BLAminus | -131.73, 178.64 | 60.17, 79.36 | -102.97, 22.96 | 313.3, 93.8 | -64.31, -22.35 | in-out | in | 9.0016 | Saltbr-out | 4.973 | HRD-in | -70.9, -51.42 | 81.49, -4.07 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7843 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -119.43, 154.68 | APE9-dihe-na | 135.37, -174.43 | APE8-dihe-in | -109.42, 116.51 | APE8-rot-in | 308.77 | APE67-dihe-in | -61.15, -17.08 | -52.21, -44.98 | APE12-dist-in | 10.1202 | APE11-dist-in | 11.8217 | APE10-dist-in | 6.2407 | APE9-dist-in | 3.8303 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.61 | 0.245 | 0.254 | B | 322.0 | 279.0 | 16 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 6rfj | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 6RFJA | Q9NWZ3 | 165 | 458 | 460.0 | K1E:501 | Type1 | Inactive | DFGin | 6.7312 | 14.2145 | BLAminus | -138.26, 177.45 | 62.01, 88.8 | -111.36, 12.54 | 307.73, 96.46 | -63.8, -18.03 | in-out | in | 8.9085 | Saltbr-out | 4.5689 | HRD-in | -70.21, -47.87 | 75.12, -3.47 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7494 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.34, 157.08 | APE9-dihe-na | 130.62, -174.05 | APE8-dihe-in | -112.58, 112.94 | APE8-rot-in | 303.06 | APE67-dihe-in | -64.16, -16.63 | -45.12, -46.37 | APE12-dist-in | 9.991 | APE11-dist-in | 11.846 | APE10-dist-in | 6.2324 | APE9-dist-in | 3.6713 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.61 | 0.245 | 0.254 | A | 322.0 | 268.0 | 26 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6rfj | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 6RFJB | Q9NWZ3 | 164 | 458 | 460.0 | K1E:502 | Type1 | Inactive | DFGin | 6.98 | 14.2477 | BLAminus | -131.73, 178.64 | 60.17, 79.36 | -102.97, 22.96 | 313.3, 93.8 | -64.31, -22.35 | in-out | in | 9.0016 | Saltbr-out | 4.973 | HRD-in | -70.9, -51.42 | 81.49, -4.07 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7843 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -119.43, 154.68 | APE9-dihe-na | 135.37, -174.43 | APE8-dihe-in | -109.42, 116.51 | APE8-rot-in | 308.77 | APE67-dihe-in | -61.15, -17.08 | -52.21, -44.98 | APE12-dist-in | 10.1202 | APE11-dist-in | 11.8217 | APE10-dist-in | 6.2407 | APE9-dist-in | 3.8303 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.61 | 0.245 | 0.254 | B | 322.0 | 279.0 | 16 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 6rfj | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 |
|---|