| 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 | 2NRUA | Q9NWZ3 | 164 | 458 | 460.0 | T12:600 | Type1 | Inactive | DFGin | 6.8099 | 14.2068 | BLAminus | -144.52, 176.61 | 61.01, 85.78 | -109.02, 12.36 | 305.24, 99.64 | -69.12, -13.83 | in-out | in | 8.9452 | Saltbr-out | 4.7125 | HRD-in | -72.42, -46.16 | 74.2, -6.12 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7294 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.65, 155.19 | APE9-dihe-na | 137.29, -171.31 | APE8-dihe-in | -118.15, 118.79 | APE8-rot-in | 298.95 | APE67-dihe-in | -68.17, -16.18 | -56.18, -39.45 | APE12-dist-in | 9.9818 | APE11-dist-in | 12.0247 | APE10-dist-in | 6.3558 | APE9-dist-in | 3.6872 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.0 | 0.237 | 0.299 | A | 307.0 | 295.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 2nru | 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 | 2NRUB | Q9NWZ3 | 163 | 458 | 460.0 | T12:601 | Type1 | Inactive | DFGin | 6.9604 | 14.2106 | BLAminus | -137.22, 177.45 | 63.67, 76.5 | -99.31, 24.17 | 313.64, 91.89 | -66.38, -18.79 | in-out | in | 8.9606 | Saltbr-out | 4.8485 | HRD-in | -79.32, -50.69 | 82.23, -1.29 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7826 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -117.97, 154.3 | APE9-dihe-na | 141.66, -169.29 | APE8-dihe-in | -112.44, 117.57 | APE8-rot-in | 305.42 | APE67-dihe-in | -56.19, -21.78 | -44.47, -53.99 | APE12-dist-in | 10.0872 | APE11-dist-in | 11.8736 | APE10-dist-in | 6.2572 | APE9-dist-in | 3.7879 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.0 | 0.237 | 0.299 | B | 307.0 | 296.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 2nru | 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 | 2NRUC | Q9NWZ3 | 164 | 458 | 460.0 | T12:602 | Type1 | Inactive | DFGin | 6.8622 | 14.0444 | BLAminus | -133.27, -178.43 | 54.04, 81.31 | -99.32, 21.09 | 309.78, 92.94 | -44.33, -46.49 | in-out | in | 9.1783 | Saltbr-out | 6.0489 | HRD-in | -65.42, -50.47 | 80.21, -0.92 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6841 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -119.9, 149.98 | APE9-dihe-na | 140.03, -170.94 | APE8-dihe-in | -117.58, 117.62 | APE8-rot-in | 307.34 | APE67-dihe-in | -53.9, -13.95 | -48.73, -50.48 | APE12-dist-in | 9.9887 | APE11-dist-in | 11.9789 | APE10-dist-in | 6.1763 | APE9-dist-in | 3.6513 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.0 | 0.237 | 0.299 | C | 307.0 | 295.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 2nru | 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 | 2NRUD | Q9NWZ3 | 164 | 458 | 460.0 | T12:603 | Type1 | Inactive | DFGin | 6.9472 | 14.0982 | BLAminus | -135.72, 173.17 | 70.19, 87.19 | -107.97, 13.86 | 307.81, 96.43 | -64.39, -20.58 | in-out | in | 9.1072 | Saltbr-out | 4.4888 | HRD-in | -69.73, -51.3 | 77.25, -2.09 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6621 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.08, 159.59 | APE9-dihe-na | 136.7, -170.84 | APE8-dihe-in | -116.97, 119.52 | APE8-rot-in | 299.39 | APE67-dihe-in | -65.53, -15.07 | -56.41, -37.98 | APE12-dist-in | 9.9199 | APE11-dist-in | 11.8549 | APE10-dist-in | 6.2692 | APE9-dist-in | 3.6063 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.0 | 0.237 | 0.299 | D | 307.0 | 295.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 2nru | 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 | 2NRUA | Q9NWZ3 | 164 | 458 | 460.0 | T12:600 | Type1 | Inactive | DFGin | 6.8099 | 14.2068 | BLAminus | -144.52, 176.61 | 61.01, 85.78 | -109.02, 12.36 | 305.24, 99.64 | -69.12, -13.83 | in-out | in | 8.9452 | Saltbr-out | 4.7125 | HRD-in | -72.42, -46.16 | 74.2, -6.12 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7294 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.65, 155.19 | APE9-dihe-na | 137.29, -171.31 | APE8-dihe-in | -118.15, 118.79 | APE8-rot-in | 298.95 | APE67-dihe-in | -68.17, -16.18 | -56.18, -39.45 | APE12-dist-in | 9.9818 | APE11-dist-in | 12.0247 | APE10-dist-in | 6.3558 | APE9-dist-in | 3.6872 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.0 | 0.237 | 0.299 | A | 307.0 | 295.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 2nru | 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 | 2NRUB | Q9NWZ3 | 163 | 458 | 460.0 | T12:601 | Type1 | Inactive | DFGin | 6.9604 | 14.2106 | BLAminus | -137.22, 177.45 | 63.67, 76.5 | -99.31, 24.17 | 313.64, 91.89 | -66.38, -18.79 | in-out | in | 8.9606 | Saltbr-out | 4.8485 | HRD-in | -79.32, -50.69 | 82.23, -1.29 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7826 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -117.97, 154.3 | APE9-dihe-na | 141.66, -169.29 | APE8-dihe-in | -112.44, 117.57 | APE8-rot-in | 305.42 | APE67-dihe-in | -56.19, -21.78 | -44.47, -53.99 | APE12-dist-in | 10.0872 | APE11-dist-in | 11.8736 | APE10-dist-in | 6.2572 | APE9-dist-in | 3.7879 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.0 | 0.237 | 0.299 | B | 307.0 | 296.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 2nru | 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 | 2NRUC | Q9NWZ3 | 164 | 458 | 460.0 | T12:602 | Type1 | Inactive | DFGin | 6.8622 | 14.0444 | BLAminus | -133.27, -178.43 | 54.04, 81.31 | -99.32, 21.09 | 309.78, 92.94 | -44.33, -46.49 | in-out | in | 9.1783 | Saltbr-out | 6.0489 | HRD-in | -65.42, -50.47 | 80.21, -0.92 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6841 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -119.9, 149.98 | APE9-dihe-na | 140.03, -170.94 | APE8-dihe-in | -117.58, 117.62 | APE8-rot-in | 307.34 | APE67-dihe-in | -53.9, -13.95 | -48.73, -50.48 | APE12-dist-in | 9.9887 | APE11-dist-in | 11.9789 | APE10-dist-in | 6.1763 | APE9-dist-in | 3.6513 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.0 | 0.237 | 0.299 | C | 307.0 | 295.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 2nru | 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 | 2NRUD | Q9NWZ3 | 164 | 458 | 460.0 | T12:603 | Type1 | Inactive | DFGin | 6.9472 | 14.0982 | BLAminus | -135.72, 173.17 | 70.19, 87.19 | -107.97, 13.86 | 307.81, 96.43 | -64.39, -20.58 | in-out | in | 9.1072 | Saltbr-out | 4.4888 | HRD-in | -69.73, -51.3 | 77.25, -2.09 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6621 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.08, 159.59 | APE9-dihe-na | 136.7, -170.84 | APE8-dihe-in | -116.97, 119.52 | APE8-rot-in | 299.39 | APE67-dihe-in | -65.53, -15.07 | -56.41, -37.98 | APE12-dist-in | 9.9199 | APE11-dist-in | 11.8549 | APE10-dist-in | 6.2692 | APE9-dist-in | 3.6063 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.0 | 0.237 | 0.299 | D | 307.0 | 295.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 2nru | 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 |
|---|