| 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 | 6RFIA | Q9NWZ3 | 165 | 458 | 460.0 | K1H:502 | Type1 | Inactive | DFGin | 6.9898 | 14.3021 | BLAminus | -129.16, 176.7 | 63.09, 88.81 | -109.76, 14.57 | 309.19, 95.71 | -60.71, -34.41 | in-out | in | 8.9539 | Saltbr-out | 4.6447 | HRD-in | -64.1, -51.33 | 77.3, -1.49 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9423 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.51, 158.58 | APE9-dihe-na | 128.54, -171.69 | APE8-dihe-in | -107.47, 116.44 | APE8-rot-in | 316.16 | APE67-dihe-in | -66.19, -16.15 | -43.18, -47.25 | APE12-dist-in | 10.0116 | APE11-dist-in | 11.8198 | APE10-dist-in | 6.3514 | APE9-dist-in | 3.7063 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.31 | 0.211 | 0.236 | A | 322.0 | 275.0 | 19 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6rfi | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 6RFIB | Q9NWZ3 | 164 | 458 | 460.0 | K1H:502 | Type1 | Inactive | DFGin | 7.0642 | 14.0503 | BLAminus | -129.63, 173.33 | 61.36, 88.99 | -110.28, 17.12 | 308.46, 99.08 | -63.95, -28.47 | in-out | in | 8.8564 | Saltbr-out | 4.3159 | HRD-in | -66.26, -50.83 | 78.99, -1.16 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7779 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.66, 154.17 | APE9-dihe-na | 132.35, -169.11 | APE8-dihe-in | -111.83, 120.53 | APE8-rot-in | 311.0 | APE67-dihe-in | -70.4, -14.87 | -59.89, -31.07 | APE12-dist-in | 10.04 | APE11-dist-in | 11.875 | APE10-dist-in | 6.3304 | APE9-dist-in | 3.7215 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.31 | 0.211 | 0.236 | B | 322.0 | 280.0 | 15 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 6rfi | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 6RFIA | Q9NWZ3 | 165 | 458 | 460.0 | K1H:502 | Type1 | Inactive | DFGin | 6.9898 | 14.3021 | BLAminus | -129.16, 176.7 | 63.09, 88.81 | -109.76, 14.57 | 309.19, 95.71 | -60.71, -34.41 | in-out | in | 8.9539 | Saltbr-out | 4.6447 | HRD-in | -64.1, -51.33 | 77.3, -1.49 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9423 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.51, 158.58 | APE9-dihe-na | 128.54, -171.69 | APE8-dihe-in | -107.47, 116.44 | APE8-rot-in | 316.16 | APE67-dihe-in | -66.19, -16.15 | -43.18, -47.25 | APE12-dist-in | 10.0116 | APE11-dist-in | 11.8198 | APE10-dist-in | 6.3514 | APE9-dist-in | 3.7063 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.31 | 0.211 | 0.236 | A | 322.0 | 275.0 | 19 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6rfi | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 6RFIB | Q9NWZ3 | 164 | 458 | 460.0 | K1H:502 | Type1 | Inactive | DFGin | 7.0642 | 14.0503 | BLAminus | -129.63, 173.33 | 61.36, 88.99 | -110.28, 17.12 | 308.46, 99.08 | -63.95, -28.47 | in-out | in | 8.8564 | Saltbr-out | 4.3159 | HRD-in | -66.26, -50.83 | 78.99, -1.16 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7779 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.66, 154.17 | APE9-dihe-na | 132.35, -169.11 | APE8-dihe-in | -111.83, 120.53 | APE8-rot-in | 311.0 | APE67-dihe-in | -70.4, -14.87 | -59.89, -31.07 | APE12-dist-in | 10.04 | APE11-dist-in | 11.875 | APE10-dist-in | 6.3304 | APE9-dist-in | 3.7215 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.31 | 0.211 | 0.236 | B | 322.0 | 280.0 | 15 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 6rfi | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 |
|---|