| 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 | 9NA5A | Q9NWZ3 | 162 | 458 | 460.0 | A1BWY:501 | Type1 | Inactive | DFGin | 6.8573 | 13.7953 | BLAminus | -133.26, 171.01 | 69.04, 85.7 | -105.99, 16.7 | 310.03, 99.89 | -62.7, -22.3 | in-out | in | 8.8572 | Saltbr-out | 4.4238 | HRD-in | -75.21, -50.97 | 79.25, -1.48 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6791 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.97, 159.53 | APE9-dihe-na | 136.23, -177.51 | APE8-dihe-in | -108.28, 116.32 | APE8-rot-in | 306.12 | APE67-dihe-in | -69.45, -13.91 | -54.86, -39.45 | APE12-dist-in | 10.4537 | APE11-dist-in | 11.8359 | APE10-dist-in | 6.49 | APE9-dist-in | 3.958 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.73 | 0.19 | 0.227 | A | 304.0 | 291.0 | 6 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 9na5 | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 9NA5B | Q9NWZ3 | 165 | 458 | 460.0 | A1BWY:501 | Type1 | Inactive | DFGin | 6.876 | 13.9226 | BLAminus | -130.74, 172.07 | 71.17, 82.18 | -107.01, 16.94 | 308.3, 95.76 | -65.86, -22.74 | in-out | in | 8.8818 | Saltbr-out | 4.1971 | HRD-in | -71.92, -49.38 | 75.44, -3.18 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6831 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.98, 162.05 | APE9-dihe-na | 124.64, -175.69 | APE8-dihe-in | -110.28, 114.32 | APE8-rot-in | 308.49 | APE67-dihe-in | -65.45, -14.65 | -45.32, -47.37 | APE12-dist-in | 10.2616 | APE11-dist-in | 12.1034 | APE10-dist-in | 6.6156 | APE9-dist-in | 4.2001 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.73 | 0.19 | 0.227 | B | 304.0 | 284.0 | 10 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 9na5 | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 9NA5C | Q9NWZ3 | 161 | 458 | 460.0 | A1BWY:501 | Type1 | Inactive | DFGin | 6.8473 | 13.8139 | BLAminus | -130.66, 174.72 | 69.96, 81.61 | -104.57, 15.46 | 307.74, 101.68 | -63.81, -23.82 | in-out | in | 8.9007 | Saltbr-out | 5.866 | HRD-in | -74.06, -49.12 | 75.91, 0.34 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6928 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.19, 157.89 | APE9-dihe-na | 134.71, -176.93 | APE8-dihe-in | -111.25, 115.39 | APE8-rot-in | 313.06 | APE67-dihe-in | -67.61, -11.6 | -53.8, -44.56 | APE12-dist-in | 10.3174 | APE11-dist-in | 11.8345 | APE10-dist-in | 6.4403 | APE9-dist-in | 4.0253 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.73 | 0.19 | 0.227 | C | 304.0 | 291.0 | 7 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9na5 | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 9NA5D | Q9NWZ3 | 164 | 458 | 460.0 | A1BWY:501 | Type1 | Inactive | DFGin | 6.9561 | 13.9047 | BLAminus | -133.93, 172.24 | 67.87, 81.49 | -104.77, 16.45 | 307.07, 100.09 | -65.52, -27.63 | in-out | in | 8.6953 | Saltbr-out | 4.3303 | HRD-in | -70.04, -49.46 | 77.38, -3.43 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7008 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.14, 158.61 | APE9-dihe-na | 129.07, -176.96 | APE8-dihe-in | -107.72, 113.83 | APE8-rot-in | 313.13 | APE67-dihe-in | -66.94, -16.69 | -45.61, -45.94 | APE12-dist-in | 10.2273 | APE11-dist-in | 12.0281 | APE10-dist-in | 6.5641 | APE9-dist-in | 4.0674 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.73 | 0.19 | 0.227 | D | 304.0 | 285.0 | 10 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 9na5 | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 9NA5A | Q9NWZ3 | 162 | 458 | 460.0 | A1BWY:501 | Type1 | Inactive | DFGin | 6.8573 | 13.7953 | BLAminus | -133.26, 171.01 | 69.04, 85.7 | -105.99, 16.7 | 310.03, 99.89 | -62.7, -22.3 | in-out | in | 8.8572 | Saltbr-out | 4.4238 | HRD-in | -75.21, -50.97 | 79.25, -1.48 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6791 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.97, 159.53 | APE9-dihe-na | 136.23, -177.51 | APE8-dihe-in | -108.28, 116.32 | APE8-rot-in | 306.12 | APE67-dihe-in | -69.45, -13.91 | -54.86, -39.45 | APE12-dist-in | 10.4537 | APE11-dist-in | 11.8359 | APE10-dist-in | 6.49 | APE9-dist-in | 3.958 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.73 | 0.19 | 0.227 | A | 304.0 | 291.0 | 6 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 9na5 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 9NA5B | Q9NWZ3 | 165 | 458 | 460.0 | A1BWY:501 | Type1 | Inactive | DFGin | 6.876 | 13.9226 | BLAminus | -130.74, 172.07 | 71.17, 82.18 | -107.01, 16.94 | 308.3, 95.76 | -65.86, -22.74 | in-out | in | 8.8818 | Saltbr-out | 4.1971 | HRD-in | -71.92, -49.38 | 75.44, -3.18 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6831 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.98, 162.05 | APE9-dihe-na | 124.64, -175.69 | APE8-dihe-in | -110.28, 114.32 | APE8-rot-in | 308.49 | APE67-dihe-in | -65.45, -14.65 | -45.32, -47.37 | APE12-dist-in | 10.2616 | APE11-dist-in | 12.1034 | APE10-dist-in | 6.6156 | APE9-dist-in | 4.2001 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.73 | 0.19 | 0.227 | B | 304.0 | 284.0 | 10 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 9na5 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 9NA5C | Q9NWZ3 | 161 | 458 | 460.0 | A1BWY:501 | Type1 | Inactive | DFGin | 6.8473 | 13.8139 | BLAminus | -130.66, 174.72 | 69.96, 81.61 | -104.57, 15.46 | 307.74, 101.68 | -63.81, -23.82 | in-out | in | 8.9007 | Saltbr-out | 5.866 | HRD-in | -74.06, -49.12 | 75.91, 0.34 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6928 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.19, 157.89 | APE9-dihe-na | 134.71, -176.93 | APE8-dihe-in | -111.25, 115.39 | APE8-rot-in | 313.06 | APE67-dihe-in | -67.61, -11.6 | -53.8, -44.56 | APE12-dist-in | 10.3174 | APE11-dist-in | 11.8345 | APE10-dist-in | 6.4403 | APE9-dist-in | 4.0253 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.73 | 0.19 | 0.227 | C | 304.0 | 291.0 | 7 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9na5 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 9NA5D | Q9NWZ3 | 164 | 458 | 460.0 | A1BWY:501 | Type1 | Inactive | DFGin | 6.9561 | 13.9047 | BLAminus | -133.93, 172.24 | 67.87, 81.49 | -104.77, 16.45 | 307.07, 100.09 | -65.52, -27.63 | in-out | in | 8.6953 | Saltbr-out | 4.3303 | HRD-in | -70.04, -49.46 | 77.38, -3.43 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7008 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.14, 158.61 | APE9-dihe-na | 129.07, -176.96 | APE8-dihe-in | -107.72, 113.83 | APE8-rot-in | 313.13 | APE67-dihe-in | -66.94, -16.69 | -45.61, -45.94 | APE12-dist-in | 10.2273 | APE11-dist-in | 12.0281 | APE10-dist-in | 6.5641 | APE9-dist-in | 4.0674 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.73 | 0.19 | 0.227 | D | 304.0 | 285.0 | 10 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 9na5 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.2e-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 |
|---|