| 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 | 6THZA | Q9NWZ3 | 165 | 458 | 460.0 | NB5:501 | Type1 | Active | DFGin | 7.0352 | 14.6174 | BLAminus | -132.59, 174.22 | 64.51, 87.68 | -105.41, 12.97 | 302.18, 105.06 | -60.16, -39.11 | in-in | in | 8.7311 | Saltbr-in | 3.5149 | HRD-in | -71.52, -47.24 | 73.49, 0.54 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7941 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.0, 149.74 | APE9-dihe-na | 142.66, -166.48 | APE8-dihe-in | -108.46, 106.97 | APE8-rot-in | 312.32 | APE67-dihe-in | -65.37, -19.1 | -35.78, -49.68 | APE12-dist-in | 10.562 | APE11-dist-in | 12.0194 | APE10-dist-in | 6.8127 | APE9-dist-in | 4.1097 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.38 | 0.233 | 0.274 | A | 308.0 | 267.0 | 27 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6thz | 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 | 6THZB | Q9NWZ3 | 164 | 458 | 460.0 | NB5:501 | Type1 | Inactive | DFGin | 6.8838 | 14.4002 | BLAminus | -139.08, 176.87 | 64.46, 76.57 | -96.2, 11.73 | 309.97, 94.63 | -53.15, -40.13 | in-out | in | 8.8775 | Saltbr-out | 7.0047 | HRD-in | -73.05, -47.74 | 74.11, -0.28 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.79 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.96, 150.22 | APE9-dihe-na | 143.37, -165.81 | APE8-dihe-in | -109.46, 106.81 | APE8-rot-in | 312.76 | APE67-dihe-in | -65.57, -18.06 | -35.96, -49.66 | APE12-dist-in | 10.5033 | APE11-dist-in | 11.8757 | APE10-dist-in | 6.7528 | APE9-dist-in | 4.1586 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.38 | 0.233 | 0.274 | B | 308.0 | 283.0 | 12 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6thz | 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 | 6THZA | Q9NWZ3 | 165 | 458 | 460.0 | NB5:501 | Type1 | Active | DFGin | 7.0352 | 14.6174 | BLAminus | -132.59, 174.22 | 64.51, 87.68 | -105.41, 12.97 | 302.18, 105.06 | -60.16, -39.11 | in-in | in | 8.7311 | Saltbr-in | 3.5149 | HRD-in | -71.52, -47.24 | 73.49, 0.54 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7941 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.0, 149.74 | APE9-dihe-na | 142.66, -166.48 | APE8-dihe-in | -108.46, 106.97 | APE8-rot-in | 312.32 | APE67-dihe-in | -65.37, -19.1 | -35.78, -49.68 | APE12-dist-in | 10.562 | APE11-dist-in | 12.0194 | APE10-dist-in | 6.8127 | APE9-dist-in | 4.1097 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.38 | 0.233 | 0.274 | A | 308.0 | 267.0 | 27 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6thz | 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 | 6THZB | Q9NWZ3 | 164 | 458 | 460.0 | NB5:501 | Type1 | Inactive | DFGin | 6.8838 | 14.4002 | BLAminus | -139.08, 176.87 | 64.46, 76.57 | -96.2, 11.73 | 309.97, 94.63 | -53.15, -40.13 | in-out | in | 8.8775 | Saltbr-out | 7.0047 | HRD-in | -73.05, -47.74 | 74.11, -0.28 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.79 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.96, 150.22 | APE9-dihe-na | 143.37, -165.81 | APE8-dihe-in | -109.46, 106.81 | APE8-rot-in | 312.76 | APE67-dihe-in | -65.57, -18.06 | -35.96, -49.66 | APE12-dist-in | 10.5033 | APE11-dist-in | 11.8757 | APE10-dist-in | 6.7528 | APE9-dist-in | 4.1586 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.38 | 0.233 | 0.274 | B | 308.0 | 283.0 | 12 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6thz | 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 |
|---|