| 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 | 6TIAA | Q9NWZ3 | 163 | 459 | 460.0 | ND2:501,ND2:502,ND2:503,ND2:504 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 7.0563 | 14.7895 | BLAminus | -140.42, -178.87 | 56.13, 87.79 | -104.25, 13.99 | 300.74, 95.94 | -61.47, -11.04 | in-out | in | 9.4587 | Saltbr-out | 6.4913 | HRD-in | -66.38, -48.88 | 73.85, 2.56 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.803 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.91, 156.52 | APE9-dihe-na | 134.49, -171.44 | APE8-dihe-in | -101.75, 121.09 | APE8-rot-in | 313.72 | APE67-dihe-in | -68.2, -12.58 | -55.04, -41.75 | APE12-dist-in | 10.3144 | APE11-dist-in | 11.8851 | APE10-dist-in | 6.4879 | APE9-dist-in | 3.5476 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.52 | 0.218 | 0.261 | A | 308.0 | 288.0 | 9 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6tia | TKL_IRAK4_HUMAN | TKL | 4.4e-84 | 288.1 | 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 | 6TIAB | Q9NWZ3 | 164 | 459 | 460.0 | ND2:501,ND2:502,ND2:503,ND2:504 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 7.0823 | 14.767 | BLAminus | -129.53, 179.91 | 56.34, 87.3 | -105.34, 14.83 | 301.91, 95.46 | -60.96, -19.27 | in-out | in | 9.2422 | Saltbr-out | 7.2036 | HRD-in | -65.06, -49.58 | 73.65, 2.87 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8143 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.9, 155.88 | APE9-dihe-na | 135.29, -171.62 | APE8-dihe-in | -102.71, 120.99 | APE8-rot-in | 315.19 | APE67-dihe-in | -67.65, -13.42 | -54.79, -41.81 | APE12-dist-in | 10.2844 | APE11-dist-in | 11.9206 | APE10-dist-in | 6.518 | APE9-dist-in | 3.6049 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.52 | 0.218 | 0.261 | B | 308.0 | 287.0 | 9 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6tia | TKL_IRAK4_HUMAN | TKL | 4.4e-84 | 288.1 | 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 | 6TIAA | Q9NWZ3 | 163 | 459 | 460.0 | ND2:501,ND2:502,ND2:503,ND2:504 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 7.0563 | 14.7895 | BLAminus | -140.42, -178.87 | 56.13, 87.79 | -104.25, 13.99 | 300.74, 95.94 | -61.47, -11.04 | in-out | in | 9.4587 | Saltbr-out | 6.4913 | HRD-in | -66.38, -48.88 | 73.85, 2.56 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.803 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.91, 156.52 | APE9-dihe-na | 134.49, -171.44 | APE8-dihe-in | -101.75, 121.09 | APE8-rot-in | 313.72 | APE67-dihe-in | -68.2, -12.58 | -55.04, -41.75 | APE12-dist-in | 10.3144 | APE11-dist-in | 11.8851 | APE10-dist-in | 6.4879 | APE9-dist-in | 3.5476 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.52 | 0.218 | 0.261 | A | 308.0 | 288.0 | 9 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6tia | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-84 | 288.1 | 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 | 6TIAB | Q9NWZ3 | 164 | 459 | 460.0 | ND2:501,ND2:502,ND2:503,ND2:504 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 7.0823 | 14.767 | BLAminus | -129.53, 179.91 | 56.34, 87.3 | -105.34, 14.83 | 301.91, 95.46 | -60.96, -19.27 | in-out | in | 9.2422 | Saltbr-out | 7.2036 | HRD-in | -65.06, -49.58 | 73.65, 2.87 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8143 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.9, 155.88 | APE9-dihe-na | 135.29, -171.62 | APE8-dihe-in | -102.71, 120.99 | APE8-rot-in | 315.19 | APE67-dihe-in | -67.65, -13.42 | -54.79, -41.81 | APE12-dist-in | 10.2844 | APE11-dist-in | 11.9206 | APE10-dist-in | 6.518 | APE9-dist-in | 3.6049 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.52 | 0.218 | 0.261 | B | 308.0 | 287.0 | 9 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6tia | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-84 | 288.1 | 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 |
|---|