| 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 | 8UCBA | Q9NWZ3 | 164 | 459 | 460.0 | X1T:501 | Type1 | Inactive | DFGin | 6.5864 | 13.5726 | BLAminus | -133.38, -177.12 | 64.35, 68.66 | -97.8, 16.07 | 315.98, 102.93 | -65.68, -24.73 | in-out | in | 8.6022 | Saltbr-out | 4.6911 | HRD-in | -74.88, -51.2 | 76.87, -1.43 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7607 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.62, 153.75 | APE9-dihe-na | 131.02, 179.21 | APE8-dihe-in | -98.2, 123.02 | APE8-rot-in | 308.0 | APE67-dihe-in | -65.09, -13.5 | -58.01, -44.66 | APE12-dist-in | 10.2847 | APE11-dist-in | 12.061 | APE10-dist-in | 6.9488 | APE9-dist-in | 4.5201 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.85 | 0.209 | 0.243 | A | 307.0 | 289.0 | 7 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8ucb | 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 | 8UCBB | Q9NWZ3 | 164 | 459 | 460.0 | X1T:501 | Type1 | Inactive | DFGin | 6.6068 | 13.6491 | BLAminus | -133.65, -177.71 | 64.73, 70.02 | -96.46, 15.08 | 312.24, 106.62 | -64.34, -23.76 | in-out | in | 8.4707 | Saltbr-out | 4.4017 | HRD-in | -75.17, -52.58 | 77.06, -2.05 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7252 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -136.68, 152.68 | APE9-dihe-na | 139.38, -177.32 | APE8-dihe-in | -102.85, 112.84 | APE8-rot-in | 315.95 | APE67-dihe-in | -69.47, -15.98 | -65.94, -25.77 | APE12-dist-in | 10.0344 | APE11-dist-in | 12.218 | APE10-dist-in | 7.2634 | APE9-dist-in | 4.5061 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.85 | 0.209 | 0.243 | B | 307.0 | 288.0 | 8 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8ucb | 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 | 8UCBC | Q9NWZ3 | 164 | 459 | 460.0 | X1T:501 | Type1 | Inactive | DFGin | 6.8619 | 13.6822 | BLAminus | -134.97, -176.91 | 65.3, 70.16 | -98.18, 15.85 | 309.36, 103.91 | -62.86, -30.38 | in-out | in | 8.58 | Saltbr-out | 4.6734 | HRD-in | -73.7, -52.09 | 76.17, -2.4 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7491 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.82, 155.19 | APE9-dihe-na | 136.02, -175.98 | APE8-dihe-in | -107.53, 111.71 | APE8-rot-in | 310.29 | APE67-dihe-in | -67.32, -13.57 | -61.09, -32.68 | APE12-dist-in | 10.0286 | APE11-dist-in | 11.8791 | APE10-dist-in | 6.6271 | APE9-dist-in | 4.3453 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.85 | 0.209 | 0.243 | C | 307.0 | 287.0 | 9 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8ucb | 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 | 8UCBD | Q9NWZ3 | 163 | 459 | 460.0 | X1T:501 | Type1 | Inactive | DFGin | 6.6554 | 13.7707 | BLAminus | -133.17, -176.75 | 64.27, 71.56 | -97.28, 15.93 | 311.73, 106.12 | -63.94, -30.66 | in-out | in | 8.6256 | Saltbr-out | 4.5655 | HRD-in | -70.95, -49.5 | 72.68, -1.18 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6741 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.88, 149.05 | APE9-dihe-na | 123.76, 174.28 | APE8-dihe-in | -91.74, 123.53 | APE8-rot-in | 308.1 | APE67-dihe-in | -62.24, -18.02 | -60.37, -40.94 | APE12-dist-in | 10.2039 | APE11-dist-in | 11.968 | APE10-dist-in | 6.4738 | APE9-dist-in | 4.435 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.85 | 0.209 | 0.243 | D | 307.0 | 291.0 | 6 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8ucb | 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 | 8UCBA | Q9NWZ3 | 164 | 459 | 460.0 | X1T:501 | Type1 | Inactive | DFGin | 6.5864 | 13.5726 | BLAminus | -133.38, -177.12 | 64.35, 68.66 | -97.8, 16.07 | 315.98, 102.93 | -65.68, -24.73 | in-out | in | 8.6022 | Saltbr-out | 4.6911 | HRD-in | -74.88, -51.2 | 76.87, -1.43 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7607 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.62, 153.75 | APE9-dihe-na | 131.02, 179.21 | APE8-dihe-in | -98.2, 123.02 | APE8-rot-in | 308.0 | APE67-dihe-in | -65.09, -13.5 | -58.01, -44.66 | APE12-dist-in | 10.2847 | APE11-dist-in | 12.061 | APE10-dist-in | 6.9488 | APE9-dist-in | 4.5201 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.85 | 0.209 | 0.243 | A | 307.0 | 289.0 | 7 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8ucb | 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 | 8UCBB | Q9NWZ3 | 164 | 459 | 460.0 | X1T:501 | Type1 | Inactive | DFGin | 6.6068 | 13.6491 | BLAminus | -133.65, -177.71 | 64.73, 70.02 | -96.46, 15.08 | 312.24, 106.62 | -64.34, -23.76 | in-out | in | 8.4707 | Saltbr-out | 4.4017 | HRD-in | -75.17, -52.58 | 77.06, -2.05 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7252 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -136.68, 152.68 | APE9-dihe-na | 139.38, -177.32 | APE8-dihe-in | -102.85, 112.84 | APE8-rot-in | 315.95 | APE67-dihe-in | -69.47, -15.98 | -65.94, -25.77 | APE12-dist-in | 10.0344 | APE11-dist-in | 12.218 | APE10-dist-in | 7.2634 | APE9-dist-in | 4.5061 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.85 | 0.209 | 0.243 | B | 307.0 | 288.0 | 8 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8ucb | 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 | 8UCBC | Q9NWZ3 | 164 | 459 | 460.0 | X1T:501 | Type1 | Inactive | DFGin | 6.8619 | 13.6822 | BLAminus | -134.97, -176.91 | 65.3, 70.16 | -98.18, 15.85 | 309.36, 103.91 | -62.86, -30.38 | in-out | in | 8.58 | Saltbr-out | 4.6734 | HRD-in | -73.7, -52.09 | 76.17, -2.4 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7491 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.82, 155.19 | APE9-dihe-na | 136.02, -175.98 | APE8-dihe-in | -107.53, 111.71 | APE8-rot-in | 310.29 | APE67-dihe-in | -67.32, -13.57 | -61.09, -32.68 | APE12-dist-in | 10.0286 | APE11-dist-in | 11.8791 | APE10-dist-in | 6.6271 | APE9-dist-in | 4.3453 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.85 | 0.209 | 0.243 | C | 307.0 | 287.0 | 9 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8ucb | 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 | 8UCBD | Q9NWZ3 | 163 | 459 | 460.0 | X1T:501 | Type1 | Inactive | DFGin | 6.6554 | 13.7707 | BLAminus | -133.17, -176.75 | 64.27, 71.56 | -97.28, 15.93 | 311.73, 106.12 | -63.94, -30.66 | in-out | in | 8.6256 | Saltbr-out | 4.5655 | HRD-in | -70.95, -49.5 | 72.68, -1.18 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6741 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.88, 149.05 | APE9-dihe-na | 123.76, 174.28 | APE8-dihe-in | -91.74, 123.53 | APE8-rot-in | 308.1 | APE67-dihe-in | -62.24, -18.02 | -60.37, -40.94 | APE12-dist-in | 10.2039 | APE11-dist-in | 11.968 | APE10-dist-in | 6.4738 | APE9-dist-in | 4.435 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.85 | 0.209 | 0.243 | D | 307.0 | 291.0 | 6 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8ucb | 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 |
|---|