| 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 | 4YP8A | Q9NWZ3 | 164 | 459 | 460.0 | 4GF:501 | Type1 | Active | DFGin | 6.842 | 14.1629 | BLAminus | -130.64, 178.89 | 61.7, 76.88 | -103.53, 25.67 | 310.66, 96.36 | -67.74, -31.55 | in-in | in | 8.7784 | Saltbr-in | 3.5486 | HRD-in | -57.79, -50.73 | 76.7, -3.88 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7748 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.21, 150.97 | APE9-dihe-na | 140.01, -173.97 | APE8-dihe-in | -103.61, 115.43 | APE8-rot-in | 309.9 | APE67-dihe-in | -66.28, -16.88 | -42.43, -50.13 | APE12-dist-in | 10.0082 | APE11-dist-in | 11.614 | APE10-dist-in | 6.3264 | APE9-dist-in | 3.9176 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.641 | 0.193 | 0.219 | A | 301.0 | 287.0 | 9 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4yp8 | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YP8B | Q9NWZ3 | 161 | 459 | 460.0 | 4GF:501 | Type1 | Inactive | DFGin | 6.9172 | 14.4445 | BLAminus | -129.86, 179.56 | 60.17, 77.95 | -104.22, 26.32 | 310.53, 95.0 | -66.78, -33.18 | in-out | in | 8.6851 | Saltbr-out | 3.9622 | HRD-in | -57.85, -50.75 | 76.66, -4.15 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8535 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.74, 150.82 | APE9-dihe-na | 140.12, -173.75 | APE8-dihe-in | -103.4, 115.49 | APE8-rot-in | 310.63 | APE67-dihe-in | -65.34, -17.03 | -41.64, -51.23 | APE12-dist-in | 10.0453 | APE11-dist-in | 11.5809 | APE10-dist-in | 6.3191 | APE9-dist-in | 3.9048 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.641 | 0.193 | 0.219 | B | 301.0 | 281.0 | 18 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 4yp8 | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YP8C | Q9NWZ3 | 164 | 460 | 460.0 | 4GF:501 | Type1 | Inactive | DFGin | 6.8212 | 14.4085 | BLAminus | -129.81, 179.51 | 59.35, 79.05 | -103.24, 26.6 | 309.61, 96.69 | -66.38, -34.02 | in-out | in | 8.8507 | Saltbr-out | 4.6837 | HRD-in | -59.31, -50.52 | 77.45, -5.42 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7895 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.88, 150.51 | APE9-dihe-na | 141.79, -174.18 | APE8-dihe-in | -103.25, 114.63 | APE8-rot-in | 311.45 | APE67-dihe-in | -64.61, -17.76 | -41.38, -51.75 | APE12-dist-in | 10.1488 | APE11-dist-in | 11.6263 | APE10-dist-in | 6.34 | APE9-dist-in | 3.9449 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.641 | 0.193 | 0.219 | C | 301.0 | 290.0 | 7 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4yp8 | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YP8D | Q9NWZ3 | 164 | 459 | 460.0 | 4GF:501 | Type1 | Inactive | DFGin | 6.8543 | 14.3193 | BLAminus | -129.62, 178.91 | 61.84, 77.53 | -103.67, 26.43 | 310.15, 95.74 | -66.28, -34.21 | in-out | in | 8.9151 | Saltbr-out | 3.8024 | HRD-in | -59.75, -49.91 | 75.93, -3.95 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7897 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.59, 153.02 | APE9-dihe-na | 138.42, -174.86 | APE8-dihe-in | -103.4, 114.55 | APE8-rot-in | 310.75 | APE67-dihe-in | -64.11, -17.03 | -41.21, -51.68 | APE12-dist-in | 10.0152 | APE11-dist-in | 11.5854 | APE10-dist-in | 6.3272 | APE9-dist-in | 3.9224 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.641 | 0.193 | 0.219 | D | 301.0 | 288.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4yp8 | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YP8A | Q9NWZ3 | 164 | 459 | 460.0 | 4GF:501 | Type1 | Active | DFGin | 6.842 | 14.1629 | BLAminus | -130.64, 178.89 | 61.7, 76.88 | -103.53, 25.67 | 310.66, 96.36 | -67.74, -31.55 | in-in | in | 8.7784 | Saltbr-in | 3.5486 | HRD-in | -57.79, -50.73 | 76.7, -3.88 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7748 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.21, 150.97 | APE9-dihe-na | 140.01, -173.97 | APE8-dihe-in | -103.61, 115.43 | APE8-rot-in | 309.9 | APE67-dihe-in | -66.28, -16.88 | -42.43, -50.13 | APE12-dist-in | 10.0082 | APE11-dist-in | 11.614 | APE10-dist-in | 6.3264 | APE9-dist-in | 3.9176 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.641 | 0.193 | 0.219 | A | 301.0 | 287.0 | 9 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4yp8 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YP8B | Q9NWZ3 | 161 | 459 | 460.0 | 4GF:501 | Type1 | Inactive | DFGin | 6.9172 | 14.4445 | BLAminus | -129.86, 179.56 | 60.17, 77.95 | -104.22, 26.32 | 310.53, 95.0 | -66.78, -33.18 | in-out | in | 8.6851 | Saltbr-out | 3.9622 | HRD-in | -57.85, -50.75 | 76.66, -4.15 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8535 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.74, 150.82 | APE9-dihe-na | 140.12, -173.75 | APE8-dihe-in | -103.4, 115.49 | APE8-rot-in | 310.63 | APE67-dihe-in | -65.34, -17.03 | -41.64, -51.23 | APE12-dist-in | 10.0453 | APE11-dist-in | 11.5809 | APE10-dist-in | 6.3191 | APE9-dist-in | 3.9048 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.641 | 0.193 | 0.219 | B | 301.0 | 281.0 | 18 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 4yp8 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YP8C | Q9NWZ3 | 164 | 460 | 460.0 | 4GF:501 | Type1 | Inactive | DFGin | 6.8212 | 14.4085 | BLAminus | -129.81, 179.51 | 59.35, 79.05 | -103.24, 26.6 | 309.61, 96.69 | -66.38, -34.02 | in-out | in | 8.8507 | Saltbr-out | 4.6837 | HRD-in | -59.31, -50.52 | 77.45, -5.42 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7895 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.88, 150.51 | APE9-dihe-na | 141.79, -174.18 | APE8-dihe-in | -103.25, 114.63 | APE8-rot-in | 311.45 | APE67-dihe-in | -64.61, -17.76 | -41.38, -51.75 | APE12-dist-in | 10.1488 | APE11-dist-in | 11.6263 | APE10-dist-in | 6.34 | APE9-dist-in | 3.9449 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.641 | 0.193 | 0.219 | C | 301.0 | 290.0 | 7 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4yp8 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YP8D | Q9NWZ3 | 164 | 459 | 460.0 | 4GF:501 | Type1 | Inactive | DFGin | 6.8543 | 14.3193 | BLAminus | -129.62, 178.91 | 61.84, 77.53 | -103.67, 26.43 | 310.15, 95.74 | -66.28, -34.21 | in-out | in | 8.9151 | Saltbr-out | 3.8024 | HRD-in | -59.75, -49.91 | 75.93, -3.95 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7897 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.59, 153.02 | APE9-dihe-na | 138.42, -174.86 | APE8-dihe-in | -103.4, 114.55 | APE8-rot-in | 310.75 | APE67-dihe-in | -64.11, -17.03 | -41.21, -51.68 | APE12-dist-in | 10.0152 | APE11-dist-in | 11.5854 | APE10-dist-in | 6.3272 | APE9-dist-in | 3.9224 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.641 | 0.193 | 0.219 | D | 301.0 | 288.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4yp8 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 |
|---|