| 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 | 6F3EA | Q9NWZ3 | 164 | 458 | 460.0 | CJQ:502 | Type1 | Inactive | DFGin | 6.9195 | 14.2196 | BLAminus | -136.23, 176.33 | 63.94, 83.09 | -106.72, 21.4 | 311.25, 94.04 | -69.13, -19.86 | in-out | in | 8.6751 | Saltbr-out | 6.7089 | HRD-in | -63.75, -48.88 | 78.04, -8.73 | out-none-in | SNConi | none-in | ActLoopNT-none | 999.0 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.08, 140.42 | APE9-dihe-na | 140.98, -176.61 | APE8-dihe-in | -92.66, 119.69 | APE8-rot-in | 314.49 | APE67-dihe-in | -63.0, -18.03 | -56.97, -37.35 | APE12-dist-in | 10.5652 | APE11-dist-in | 11.8395 | APE10-dist-in | 6.6189 | APE9-dist-in | 4.1748 | None | TPO342,TPO345 | TPO342,TPO345 | XRAY | 2.67 | 0.201 | 0.254 | A | 295.0 | 272.0 | 23 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 6f3e | TKL_IRAK4_HUMAN | TKL | 3.8e-84 | 288.3 | 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 | 6F3EB | Q9NWZ3 | 164 | 458 | 460.0 | CJQ:501 | Type1 | Inactive | DFGin | 6.9236 | 14.146 | BLAminus | -136.52, 172.28 | 70.33, 84.0 | -110.15, 21.49 | 311.14, 94.15 | -69.02, -20.02 | in-out | in | 8.6523 | Saltbr-out | 5.4897 | HRD-in | -63.87, -48.98 | 77.6, -8.2 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7351 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.45, 141.04 | APE9-dihe-na | 142.02, -175.79 | APE8-dihe-in | -93.38, 119.46 | APE8-rot-in | 315.35 | APE67-dihe-in | -63.37, -18.21 | -57.51, -36.62 | APE12-dist-in | 10.4116 | APE11-dist-in | 11.628 | APE10-dist-in | 6.5015 | APE9-dist-in | 4.2208 | None | TPO342,TPO345 | TPO342,TPO345 | XRAY | 2.67 | 0.201 | 0.254 | B | 295.0 | 284.0 | 11 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6f3e | TKL_IRAK4_HUMAN | TKL | 3.8e-84 | 288.3 | 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 | 6F3EA | Q9NWZ3 | 164 | 458 | 460.0 | CJQ:502 | Type1 | Inactive | DFGin | 6.9195 | 14.2196 | BLAminus | -136.23, 176.33 | 63.94, 83.09 | -106.72, 21.4 | 311.25, 94.04 | -69.13, -19.86 | in-out | in | 8.6751 | Saltbr-out | 6.7089 | HRD-in | -63.75, -48.88 | 78.04, -8.73 | out-none-in | SNConi | none-in | ActLoopNT-none | 999.0 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.08, 140.42 | APE9-dihe-na | 140.98, -176.61 | APE8-dihe-in | -92.66, 119.69 | APE8-rot-in | 314.49 | APE67-dihe-in | -63.0, -18.03 | -56.97, -37.35 | APE12-dist-in | 10.5652 | APE11-dist-in | 11.8395 | APE10-dist-in | 6.6189 | APE9-dist-in | 4.1748 | None | TPO342,TPO345 | TPO342,TPO345 | XRAY | 2.67 | 0.201 | 0.254 | A | 295.0 | 272.0 | 23 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 6f3e | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 3.8e-84 | 288.3 | 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 | 6F3EB | Q9NWZ3 | 164 | 458 | 460.0 | CJQ:501 | Type1 | Inactive | DFGin | 6.9236 | 14.146 | BLAminus | -136.52, 172.28 | 70.33, 84.0 | -110.15, 21.49 | 311.14, 94.15 | -69.02, -20.02 | in-out | in | 8.6523 | Saltbr-out | 5.4897 | HRD-in | -63.87, -48.98 | 77.6, -8.2 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7351 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.45, 141.04 | APE9-dihe-na | 142.02, -175.79 | APE8-dihe-in | -93.38, 119.46 | APE8-rot-in | 315.35 | APE67-dihe-in | -63.37, -18.21 | -57.51, -36.62 | APE12-dist-in | 10.4116 | APE11-dist-in | 11.628 | APE10-dist-in | 6.5015 | APE9-dist-in | 4.2208 | None | TPO342,TPO345 | TPO342,TPO345 | XRAY | 2.67 | 0.201 | 0.254 | B | 295.0 | 284.0 | 11 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6f3e | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 3.8e-84 | 288.3 | 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 |
|---|