| 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 | 8BR6AAA | Q9NWZ3 | 165 | 459 | 460.0 | R6I:1001 | Type1 | Inactive | DFGin | 6.9174 | 13.8173 | BLAminus | -129.66, 170.0 | 69.62, 98.1 | -122.85, 19.7 | 306.96, 88.76 | -58.16, -37.07 | in-out | in | 8.8089 | Saltbr-out | 7.4707 | HRD-in | -72.91, -58.78 | 84.26, 5.42 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7532 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -116.53, 152.76 | APE9-dihe-na | 145.18, -171.68 | APE8-dihe-in | -111.26, 112.24 | APE8-rot-in | 315.6 | APE67-dihe-in | -61.85, -25.79 | -58.99, -34.36 | APE12-dist-in | 9.9925 | APE11-dist-in | 11.9713 | APE10-dist-in | 6.8577 | APE9-dist-in | 3.9736 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.167 | 0.215 | 0.251 | AAA | 298.0 | 288.0 | 7 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 8br6 | TKL_IRAK4_HUMAN | TKL | 1.3e-83 | 286.6 | 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 | 8BR6BBB | Q9NWZ3 | 165 | 459 | 460.0 | R6I:1001 | Type1 | Inactive | DFGin | 7.2141 | 14.1156 | BLAminus | -122.04, 169.11 | 67.87, 99.68 | -120.93, 27.62 | 310.0, 104.06 | -68.88, -33.21 | in-out | in | 9.2138 | Saltbr-out | 4.1674 | HRD-in | -70.69, -55.19 | 81.72, -1.09 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.038 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -143.8, 91.66 | APE9-dihe-na | -148.3, -158.25 | APE8-dihe-in | -114.14, 110.31 | APE8-rot-in | 308.07 | APE67-dihe-in | -68.26, -15.15 | -42.56, -51.42 | APE12-dist-in | 10.1107 | APE11-dist-in | 11.7081 | APE10-dist-in | 6.6862 | APE9-dist-in | 3.8899 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.167 | 0.215 | 0.251 | BBB | 298.0 | 278.0 | 17 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8br6 | TKL_IRAK4_HUMAN | TKL | 1.3e-83 | 286.6 | 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 | 8BR6AAA | Q9NWZ3 | 165 | 459 | 460.0 | R6I:1001 | Type1 | Inactive | DFGin | 6.9174 | 13.8173 | BLAminus | -129.66, 170.0 | 69.62, 98.1 | -122.85, 19.7 | 306.96, 88.76 | -58.16, -37.07 | in-out | in | 8.8089 | Saltbr-out | 7.4707 | HRD-in | -72.91, -58.78 | 84.26, 5.42 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7532 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -116.53, 152.76 | APE9-dihe-na | 145.18, -171.68 | APE8-dihe-in | -111.26, 112.24 | APE8-rot-in | 315.6 | APE67-dihe-in | -61.85, -25.79 | -58.99, -34.36 | APE12-dist-in | 9.9925 | APE11-dist-in | 11.9713 | APE10-dist-in | 6.8577 | APE9-dist-in | 3.9736 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.167 | 0.215 | 0.251 | AAA | 298.0 | 288.0 | 7 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 8br6 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 1.3e-83 | 286.6 | 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 | 8BR6BBB | Q9NWZ3 | 165 | 459 | 460.0 | R6I:1001 | Type1 | Inactive | DFGin | 7.2141 | 14.1156 | BLAminus | -122.04, 169.11 | 67.87, 99.68 | -120.93, 27.62 | 310.0, 104.06 | -68.88, -33.21 | in-out | in | 9.2138 | Saltbr-out | 4.1674 | HRD-in | -70.69, -55.19 | 81.72, -1.09 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.038 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -143.8, 91.66 | APE9-dihe-na | -148.3, -158.25 | APE8-dihe-in | -114.14, 110.31 | APE8-rot-in | 308.07 | APE67-dihe-in | -68.26, -15.15 | -42.56, -51.42 | APE12-dist-in | 10.1107 | APE11-dist-in | 11.7081 | APE10-dist-in | 6.6862 | APE9-dist-in | 3.8899 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.167 | 0.215 | 0.251 | BBB | 298.0 | 278.0 | 17 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8br6 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 1.3e-83 | 286.6 | 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 |
|---|