| 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 | 6TI8A | Q9NWZ3 | 165 | 459 | 460.0 | NBW:501 | Type1 | Active | DFGin | 6.4958 | 14.6874 | BLAminus | -132.22, 174.78 | 65.5, 84.55 | -108.45, 28.29 | 312.44, 86.03 | -64.97, -26.16 | in-in | in | 8.3272 | Saltbr-in | 3.3681 | HRD-in | -64.49, -50.7 | 73.68, -1.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.811 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.02, 143.49 | APE9-dihe-na | 153.75, -168.62 | APE8-dihe-in | -108.33, 109.09 | APE8-rot-in | 310.4 | APE67-dihe-in | -69.46, -9.13 | -46.33, -44.33 | APE12-dist-in | 10.5795 | APE11-dist-in | 11.6962 | APE10-dist-in | 6.6386 | APE9-dist-in | 4.027 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.32 | 0.25 | 0.281 | A | 308.0 | 284.0 | 11 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6ti8 | 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 | 6TI8B | Q9NWZ3 | 165 | 459 | 460.0 | NBW:501 | Type1 | Active | DFGin | 6.8303 | 14.8598 | BLAminus | -122.99, 177.68 | 58.9, 84.31 | -102.33, 16.41 | 302.19, 94.44 | -63.27, -32.27 | in-in | in | 8.5736 | Saltbr-in | 2.9774 | HRD-in | -64.71, -50.68 | 74.15, -2.22 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8108 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.3, 142.5 | APE9-dihe-na | 153.81, -169.31 | APE8-dihe-in | -108.96, 109.53 | APE8-rot-in | 310.52 | APE67-dihe-in | -69.44, -9.65 | -46.25, -44.57 | APE12-dist-in | 10.5598 | APE11-dist-in | 11.7446 | APE10-dist-in | 6.6717 | APE9-dist-in | 4.0381 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.32 | 0.25 | 0.281 | B | 308.0 | 282.0 | 13 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6ti8 | 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 | 6TI8C | Q9NWZ3 | 164 | 459 | 460.0 | NBW:501 | Type1 | Active | DFGin | 6.6548 | 14.4556 | BLAminus | -124.84, 176.47 | 59.94, 83.94 | -103.8, 22.42 | 311.19, 97.24 | -66.26, -29.87 | in-in | in | 8.6414 | Saltbr-in | 2.8322 | HRD-in | -65.72, -50.02 | 73.46, -0.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8056 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.4, 142.09 | APE9-dihe-na | 155.32, -168.59 | APE8-dihe-in | -109.34, 108.99 | APE8-rot-in | 310.65 | APE67-dihe-in | -68.15, -9.66 | -46.14, -45.0 | APE12-dist-in | 10.5162 | APE11-dist-in | 11.6096 | APE10-dist-in | 6.577 | APE9-dist-in | 4.0295 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.32 | 0.25 | 0.281 | C | 308.0 | 285.0 | 11 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6ti8 | 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 | 6TI8D | Q9NWZ3 | 164 | 458 | 460.0 | NBW:501 | Type1 | Active | DFGin | 6.6646 | 14.2723 | BLAminus | -125.76, 177.59 | 59.54, 84.07 | -104.02, 21.13 | 313.62, 95.57 | -66.12, -29.76 | in-in | in | 8.6145 | Saltbr-in | 3.0599 | HRD-in | -64.51, -50.99 | 73.54, -1.12 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.803 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.51, 142.91 | APE9-dihe-na | 153.9, -168.19 | APE8-dihe-in | -108.74, 108.12 | APE8-rot-in | 312.3 | APE67-dihe-in | -68.08, -10.4 | -45.75, -44.97 | APE12-dist-in | 10.5281 | APE11-dist-in | 11.6616 | APE10-dist-in | 6.6114 | APE9-dist-in | 4.0361 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.32 | 0.25 | 0.281 | D | 308.0 | 284.0 | 11 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6ti8 | 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 | 6TI8A | Q9NWZ3 | 165 | 459 | 460.0 | NBW:501 | Type1 | Active | DFGin | 6.4958 | 14.6874 | BLAminus | -132.22, 174.78 | 65.5, 84.55 | -108.45, 28.29 | 312.44, 86.03 | -64.97, -26.16 | in-in | in | 8.3272 | Saltbr-in | 3.3681 | HRD-in | -64.49, -50.7 | 73.68, -1.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.811 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.02, 143.49 | APE9-dihe-na | 153.75, -168.62 | APE8-dihe-in | -108.33, 109.09 | APE8-rot-in | 310.4 | APE67-dihe-in | -69.46, -9.13 | -46.33, -44.33 | APE12-dist-in | 10.5795 | APE11-dist-in | 11.6962 | APE10-dist-in | 6.6386 | APE9-dist-in | 4.027 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.32 | 0.25 | 0.281 | A | 308.0 | 284.0 | 11 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6ti8 | 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 | 6TI8B | Q9NWZ3 | 165 | 459 | 460.0 | NBW:501 | Type1 | Active | DFGin | 6.8303 | 14.8598 | BLAminus | -122.99, 177.68 | 58.9, 84.31 | -102.33, 16.41 | 302.19, 94.44 | -63.27, -32.27 | in-in | in | 8.5736 | Saltbr-in | 2.9774 | HRD-in | -64.71, -50.68 | 74.15, -2.22 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8108 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.3, 142.5 | APE9-dihe-na | 153.81, -169.31 | APE8-dihe-in | -108.96, 109.53 | APE8-rot-in | 310.52 | APE67-dihe-in | -69.44, -9.65 | -46.25, -44.57 | APE12-dist-in | 10.5598 | APE11-dist-in | 11.7446 | APE10-dist-in | 6.6717 | APE9-dist-in | 4.0381 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.32 | 0.25 | 0.281 | B | 308.0 | 282.0 | 13 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6ti8 | 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 | 6TI8C | Q9NWZ3 | 164 | 459 | 460.0 | NBW:501 | Type1 | Active | DFGin | 6.6548 | 14.4556 | BLAminus | -124.84, 176.47 | 59.94, 83.94 | -103.8, 22.42 | 311.19, 97.24 | -66.26, -29.87 | in-in | in | 8.6414 | Saltbr-in | 2.8322 | HRD-in | -65.72, -50.02 | 73.46, -0.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8056 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.4, 142.09 | APE9-dihe-na | 155.32, -168.59 | APE8-dihe-in | -109.34, 108.99 | APE8-rot-in | 310.65 | APE67-dihe-in | -68.15, -9.66 | -46.14, -45.0 | APE12-dist-in | 10.5162 | APE11-dist-in | 11.6096 | APE10-dist-in | 6.577 | APE9-dist-in | 4.0295 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.32 | 0.25 | 0.281 | C | 308.0 | 285.0 | 11 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6ti8 | 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 | 6TI8D | Q9NWZ3 | 164 | 458 | 460.0 | NBW:501 | Type1 | Active | DFGin | 6.6646 | 14.2723 | BLAminus | -125.76, 177.59 | 59.54, 84.07 | -104.02, 21.13 | 313.62, 95.57 | -66.12, -29.76 | in-in | in | 8.6145 | Saltbr-in | 3.0599 | HRD-in | -64.51, -50.99 | 73.54, -1.12 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.803 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.51, 142.91 | APE9-dihe-na | 153.9, -168.19 | APE8-dihe-in | -108.74, 108.12 | APE8-rot-in | 312.3 | APE67-dihe-in | -68.08, -10.4 | -45.75, -44.97 | APE12-dist-in | 10.5281 | APE11-dist-in | 11.6616 | APE10-dist-in | 6.6114 | APE9-dist-in | 4.0361 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.32 | 0.25 | 0.281 | D | 308.0 | 284.0 | 11 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6ti8 | 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 |
|---|