| 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 | 8ATNAAA | Q9NWZ3 | 165 | 459 | 460.0 | O06:1001 | Type1 | Inactive | DFGin | 6.7239 | 14.2081 | BLAminus | -117.77, 176.24 | 64.77, 96.31 | -125.83, 10.5 | 313.57, 103.82 | -69.05, -5.63 | in-out | in | 8.6317 | Saltbr-out | 4.5649 | HRD-in | -69.73, -51.11 | 77.51, -5.14 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8391 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -161.0, 157.33 | APE9-dihe-na | 133.5, -162.12 | APE8-dihe-in | -121.39, 112.47 | APE8-rot-in | 318.21 | APE67-dihe-in | -71.32, -7.35 | -41.66, -51.09 | APE12-dist-in | 9.9019 | APE11-dist-in | 12.0467 | APE10-dist-in | 7.0691 | APE9-dist-in | 3.8594 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.171 | 0.242 | 0.306 | AAA | 298.0 | 282.0 | 13 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8atn | 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 | 8ATNBBB | Q9NWZ3 | 165 | 459 | 460.0 | O06:1001 | Type1 | Inactive | DFGin | 6.4704 | 14.0241 | BLAminus | -130.98, 162.78 | 71.1, 84.67 | -104.49, 21.53 | 314.64, 81.97 | -66.59, -34.68 | in-out | in | 8.5199 | Saltbr-out | 5.3387 | HRD-in | -69.18, -52.19 | 77.12, 4.45 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.5999 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.72, 153.2 | APE9-dihe-na | 145.05, 176.75 | APE8-dihe-in | -102.56, 117.31 | APE8-rot-in | 320.99 | APE67-dihe-in | -62.43, -13.54 | -50.51, -47.21 | APE12-dist-in | 9.7364 | APE11-dist-in | 11.5133 | APE10-dist-in | 6.4449 | APE9-dist-in | 4.1015 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.171 | 0.242 | 0.306 | BBB | 298.0 | 286.0 | 9 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 8atn | 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 | 8ATNAAA | Q9NWZ3 | 165 | 459 | 460.0 | O06:1001 | Type1 | Inactive | DFGin | 6.7239 | 14.2081 | BLAminus | -117.77, 176.24 | 64.77, 96.31 | -125.83, 10.5 | 313.57, 103.82 | -69.05, -5.63 | in-out | in | 8.6317 | Saltbr-out | 4.5649 | HRD-in | -69.73, -51.11 | 77.51, -5.14 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8391 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -161.0, 157.33 | APE9-dihe-na | 133.5, -162.12 | APE8-dihe-in | -121.39, 112.47 | APE8-rot-in | 318.21 | APE67-dihe-in | -71.32, -7.35 | -41.66, -51.09 | APE12-dist-in | 9.9019 | APE11-dist-in | 12.0467 | APE10-dist-in | 7.0691 | APE9-dist-in | 3.8594 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.171 | 0.242 | 0.306 | AAA | 298.0 | 282.0 | 13 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8atn | 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 | 8ATNBBB | Q9NWZ3 | 165 | 459 | 460.0 | O06:1001 | Type1 | Inactive | DFGin | 6.4704 | 14.0241 | BLAminus | -130.98, 162.78 | 71.1, 84.67 | -104.49, 21.53 | 314.64, 81.97 | -66.59, -34.68 | in-out | in | 8.5199 | Saltbr-out | 5.3387 | HRD-in | -69.18, -52.19 | 77.12, 4.45 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.5999 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.72, 153.2 | APE9-dihe-na | 145.05, 176.75 | APE8-dihe-in | -102.56, 117.31 | APE8-rot-in | 320.99 | APE67-dihe-in | -62.43, -13.54 | -50.51, -47.21 | APE12-dist-in | 9.7364 | APE11-dist-in | 11.5133 | APE10-dist-in | 6.4449 | APE9-dist-in | 4.1015 | K400A,E401A,E402A | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.171 | 0.242 | 0.306 | BBB | 298.0 | 286.0 | 9 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 8atn | 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 |
|---|