| 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 | 8ATLAAA | Q9NWZ3 | 165 | 459 | 460.0 | O6X:1001 | Type1 | Active | DFGin | 6.8629 | 14.0415 | BLAminus | -137.77, 171.28 | 65.58, 85.32 | -106.59, 14.48 | 304.55, 90.88 | -55.82, -34.42 | in-in | in | 9.1164 | Saltbr-in | 3.5432 | HRD-in | -70.47, -58.64 | 81.65, 11.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8678 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.86, 150.6 | APE9-dihe-na | 144.35, -175.33 | APE8-dihe-in | -104.94, 114.45 | APE8-rot-in | 316.2 | APE67-dihe-in | -61.27, -24.68 | -62.06, -32.75 | APE12-dist-in | 10.2616 | APE11-dist-in | 11.7876 | APE10-dist-in | 6.8529 | APE9-dist-in | 4.0524 | K400A,E401A,E402A | TPO345,SEP346 | CSO240,TPO345,SEP346 | XRAY | 2.464 | 0.201 | 0.243 | AAA | 298.0 | 282.0 | 13 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 8atl | 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 | 8ATLBBB | Q9NWZ3 | 165 | 459 | 460.0 | O6X:1001 | Type1 | Active | DFGin | 7.0962 | 13.9429 | BLAminus | -128.06, 169.98 | 67.88, 82.87 | -108.63, 28.43 | 316.44, 98.21 | -70.71, -32.03 | in-in | in | 8.9827 | Saltbr-in | 2.8484 | HRD-in | -68.78, -54.88 | 81.51, -3.35 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0516 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.25, 137.09 | APE9-dihe-na | 154.06, -169.33 | APE8-dihe-in | -119.2, 107.5 | APE8-rot-in | 319.15 | APE67-dihe-in | -65.1, -18.02 | -48.25, -46.08 | APE12-dist-in | 10.238 | APE11-dist-in | 11.6885 | APE10-dist-in | 6.5229 | APE9-dist-in | 4.3488 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.464 | 0.201 | 0.243 | BBB | 298.0 | 271.0 | 24 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 8atl | 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 | 8ATLAAA | Q9NWZ3 | 165 | 459 | 460.0 | O6X:1001 | Type1 | Active | DFGin | 6.8629 | 14.0415 | BLAminus | -137.77, 171.28 | 65.58, 85.32 | -106.59, 14.48 | 304.55, 90.88 | -55.82, -34.42 | in-in | in | 9.1164 | Saltbr-in | 3.5432 | HRD-in | -70.47, -58.64 | 81.65, 11.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8678 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.86, 150.6 | APE9-dihe-na | 144.35, -175.33 | APE8-dihe-in | -104.94, 114.45 | APE8-rot-in | 316.2 | APE67-dihe-in | -61.27, -24.68 | -62.06, -32.75 | APE12-dist-in | 10.2616 | APE11-dist-in | 11.7876 | APE10-dist-in | 6.8529 | APE9-dist-in | 4.0524 | K400A,E401A,E402A | TPO345,SEP346 | CSO240,TPO345,SEP346 | XRAY | 2.464 | 0.201 | 0.243 | AAA | 298.0 | 282.0 | 13 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 8atl | 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 | 8ATLBBB | Q9NWZ3 | 165 | 459 | 460.0 | O6X:1001 | Type1 | Active | DFGin | 7.0962 | 13.9429 | BLAminus | -128.06, 169.98 | 67.88, 82.87 | -108.63, 28.43 | 316.44, 98.21 | -70.71, -32.03 | in-in | in | 8.9827 | Saltbr-in | 2.8484 | HRD-in | -68.78, -54.88 | 81.51, -3.35 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0516 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.25, 137.09 | APE9-dihe-na | 154.06, -169.33 | APE8-dihe-in | -119.2, 107.5 | APE8-rot-in | 319.15 | APE67-dihe-in | -65.1, -18.02 | -48.25, -46.08 | APE12-dist-in | 10.238 | APE11-dist-in | 11.6885 | APE10-dist-in | 6.5229 | APE9-dist-in | 4.3488 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.464 | 0.201 | 0.243 | BBB | 298.0 | 271.0 | 24 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 8atl | 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 |
|---|