| 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 | 6THXA | Q9NWZ3 | 164 | 458 | 460.0 | N9Z:501 | Type1 | Active | DFGin | 6.5269 | 14.5293 | BLAminus | -127.56, 172.71 | 65.6, 83.21 | -103.86, 30.76 | 312.6, 124.02 | -71.9, -39.12 | in-in | in | 8.4488 | Saltbr-in | 3.1272 | HRD-in | -68.51, -52.67 | 79.87, -7.09 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7729 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.98, 146.03 | APE9-dihe-na | 147.06, -173.06 | APE8-dihe-in | -104.96, 109.73 | APE8-rot-in | 309.29 | APE67-dihe-in | -62.88, -17.94 | -53.78, -36.75 | APE12-dist-in | 10.1457 | APE11-dist-in | 11.8181 | APE10-dist-in | 6.4566 | APE9-dist-in | 4.0718 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.99 | 0.232 | 0.254 | A | 308.0 | 279.0 | 16 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6thx | TKL_IRAK4_HUMAN | TKL | 4.4e-84 | 288.1 | 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 | 6THXB | Q9NWZ3 | 164 | 458 | 460.0 | N9Z:501 | Type1 | Inactive | DFGin | 6.7832 | 14.5032 | BLAminus | -130.3, 173.53 | 69.43, 82.81 | -102.19, 17.11 | 308.42, 101.98 | -60.44, -37.77 | in-out | in | 9.0557 | Saltbr-out | 6.7422 | HRD-in | -69.56, -52.62 | 80.33, -6.88 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7756 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.94, 145.34 | APE9-dihe-na | 147.73, -171.87 | APE8-dihe-in | -106.02, 110.0 | APE8-rot-in | 309.88 | APE67-dihe-in | -61.74, -18.4 | -54.4, -36.6 | APE12-dist-in | 10.54 | APE11-dist-in | 11.7168 | APE10-dist-in | 6.4037 | APE9-dist-in | 4.1021 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.99 | 0.232 | 0.254 | B | 308.0 | 283.0 | 12 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6thx | TKL_IRAK4_HUMAN | TKL | 4.4e-84 | 288.1 | 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 | 6THXA | Q9NWZ3 | 164 | 458 | 460.0 | N9Z:501 | Type1 | Active | DFGin | 6.5269 | 14.5293 | BLAminus | -127.56, 172.71 | 65.6, 83.21 | -103.86, 30.76 | 312.6, 124.02 | -71.9, -39.12 | in-in | in | 8.4488 | Saltbr-in | 3.1272 | HRD-in | -68.51, -52.67 | 79.87, -7.09 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7729 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.98, 146.03 | APE9-dihe-na | 147.06, -173.06 | APE8-dihe-in | -104.96, 109.73 | APE8-rot-in | 309.29 | APE67-dihe-in | -62.88, -17.94 | -53.78, -36.75 | APE12-dist-in | 10.1457 | APE11-dist-in | 11.8181 | APE10-dist-in | 6.4566 | APE9-dist-in | 4.0718 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.99 | 0.232 | 0.254 | A | 308.0 | 279.0 | 16 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6thx | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-84 | 288.1 | 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 | 6THXB | Q9NWZ3 | 164 | 458 | 460.0 | N9Z:501 | Type1 | Inactive | DFGin | 6.7832 | 14.5032 | BLAminus | -130.3, 173.53 | 69.43, 82.81 | -102.19, 17.11 | 308.42, 101.98 | -60.44, -37.77 | in-out | in | 9.0557 | Saltbr-out | 6.7422 | HRD-in | -69.56, -52.62 | 80.33, -6.88 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7756 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.94, 145.34 | APE9-dihe-na | 147.73, -171.87 | APE8-dihe-in | -106.02, 110.0 | APE8-rot-in | 309.88 | APE67-dihe-in | -61.74, -18.4 | -54.4, -36.6 | APE12-dist-in | 10.54 | APE11-dist-in | 11.7168 | APE10-dist-in | 6.4037 | APE9-dist-in | 4.1021 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.99 | 0.232 | 0.254 | B | 308.0 | 283.0 | 12 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6thx | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-84 | 288.1 | 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 |
|---|