| 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 | 8BR7AAA | Q9NWZ3 | 165 | 458 | 460.0 | R6R:501 | Type1 | Inactive | DFGin | 6.7483 | 13.7843 | BLAminus | -121.68, 175.13 | 64.52, 68.33 | -88.96, 4.22 | 313.41, 97.24 | -60.18, 142.14 | in-out | in | 8.2357 | Saltbr-out | 7.7831 | HRD-in | -69.56, -54.74 | 85.52, -4.41 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.938 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.26, 163.97 | APE9-dihe-na | 117.6, -170.85 | APE8-dihe-in | -114.4, 114.65 | APE8-rot-in | 314.25 | APE67-dihe-in | -62.57, -14.8 | -45.12, -53.09 | APE12-dist-in | 9.6098 | APE11-dist-in | 11.5218 | APE10-dist-in | 6.0807 | APE9-dist-in | 3.6881 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.119 | 0.241 | 0.288 | AAA | 298.0 | 273.0 | 21 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8br7 | 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 | 8BR7BBB | Q9NWZ3 | 165 | 458 | 460.0 | R6R:501 | Type1 | Inactive | DFGin | 6.7251 | 14.0843 | BLAminus | -127.23, 169.57 | 70.93, 84.26 | -111.93, 23.51 | 310.86, 94.87 | -67.5, -27.24 | in-out | in | 9.0787 | Saltbr-out | 4.6695 | HRD-in | -74.15, -52.75 | 85.58, -3.83 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7055 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -146.6, 148.06 | APE9-dihe-na | 139.81, -171.92 | APE8-dihe-in | -112.09, 123.4 | APE8-rot-in | 327.06 | APE67-dihe-in | -62.8, -13.81 | -52.63, -52.65 | APE12-dist-in | 10.0265 | APE11-dist-in | 11.8292 | APE10-dist-in | 6.6234 | APE9-dist-in | 3.9928 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.119 | 0.241 | 0.288 | BBB | 298.0 | 278.0 | 16 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8br7 | 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 | 8BR7AAA | Q9NWZ3 | 165 | 458 | 460.0 | R6R:501 | Type1 | Inactive | DFGin | 6.7483 | 13.7843 | BLAminus | -121.68, 175.13 | 64.52, 68.33 | -88.96, 4.22 | 313.41, 97.24 | -60.18, 142.14 | in-out | in | 8.2357 | Saltbr-out | 7.7831 | HRD-in | -69.56, -54.74 | 85.52, -4.41 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.938 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.26, 163.97 | APE9-dihe-na | 117.6, -170.85 | APE8-dihe-in | -114.4, 114.65 | APE8-rot-in | 314.25 | APE67-dihe-in | -62.57, -14.8 | -45.12, -53.09 | APE12-dist-in | 9.6098 | APE11-dist-in | 11.5218 | APE10-dist-in | 6.0807 | APE9-dist-in | 3.6881 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.119 | 0.241 | 0.288 | AAA | 298.0 | 273.0 | 21 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8br7 | 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 | 8BR7BBB | Q9NWZ3 | 165 | 458 | 460.0 | R6R:501 | Type1 | Inactive | DFGin | 6.7251 | 14.0843 | BLAminus | -127.23, 169.57 | 70.93, 84.26 | -111.93, 23.51 | 310.86, 94.87 | -67.5, -27.24 | in-out | in | 9.0787 | Saltbr-out | 4.6695 | HRD-in | -74.15, -52.75 | 85.58, -3.83 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7055 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -146.6, 148.06 | APE9-dihe-na | 139.81, -171.92 | APE8-dihe-in | -112.09, 123.4 | APE8-rot-in | 327.06 | APE67-dihe-in | -62.8, -13.81 | -52.63, -52.65 | APE12-dist-in | 10.0265 | APE11-dist-in | 11.8292 | APE10-dist-in | 6.6234 | APE9-dist-in | 3.9928 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.119 | 0.241 | 0.288 | BBB | 298.0 | 278.0 | 16 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8br7 | 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 |
|---|