| 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 | 6O95A | Q9NWZ3 | 162 | 459 | 460.0 | LSV:502 | Type1 | Inactive | DFGin | 6.5143 | 14.1644 | BLAminus | -124.69, 178.36 | 63.9, 85.02 | -104.54, 7.03 | 304.14, 94.6 | -57.19, -35.8 | in-out | in | 8.8719 | Saltbr-out | 4.6326 | HRD-in | -66.91, -51.29 | 74.49, -0.76 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8041 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.02, 155.29 | APE9-dihe-na | 132.54, -175.83 | APE8-dihe-in | -104.27, 113.04 | APE8-rot-in | 302.9 | APE67-dihe-in | -57.84, -19.71 | -40.16, -52.66 | APE12-dist-in | 10.0524 | APE11-dist-in | 12.0481 | APE10-dist-in | 6.8824 | APE9-dist-in | 4.3628 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.77 | 0.19 | 0.217 | A | 320.0 | 291.0 | 7 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6o95 | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O95B | Q9NWZ3 | 163 | 458 | 460.0 | LSV:501 | Type1 | Inactive | DFGin | 7.047 | 13.9336 | BLAminus | -128.69, 178.37 | 64.78, 86.4 | -106.95, 10.27 | 304.55, 103.52 | -56.04, -36.05 | in-out | in | 8.6869 | Saltbr-out | 5.348 | HRD-in | -68.16, -49.56 | 73.95, -1.69 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8208 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.52, 156.12 | APE9-dihe-na | 128.25, -179.73 | APE8-dihe-in | -105.09, 111.99 | APE8-rot-in | 310.32 | APE67-dihe-in | -60.91, -16.95 | -44.72, -45.17 | APE12-dist-in | 10.1353 | APE11-dist-in | 12.0602 | APE10-dist-in | 6.4328 | APE9-dist-in | 4.0004 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.77 | 0.19 | 0.217 | B | 320.0 | 279.0 | 17 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6o95 | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O95C | Q9NWZ3 | 165 | 458 | 460.0 | LSV:501 | Type1 | Inactive | DFGin | 6.9177 | 13.9296 | BLAminus | -128.33, 177.09 | 66.35, 90.72 | -113.17, 15.76 | 309.56, 95.89 | -60.57, -32.1 | in-out | in | 8.9463 | Saltbr-out | 4.8251 | HRD-in | -67.67, -54.03 | 77.11, 0.43 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8077 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.77, 148.25 | APE9-dihe-na | 141.05, -171.27 | APE8-dihe-in | -106.42, 112.41 | APE8-rot-in | 303.07 | APE67-dihe-in | -59.27, -17.89 | -44.67, -47.52 | APE12-dist-in | 10.0305 | APE11-dist-in | 12.0003 | APE10-dist-in | 7.1669 | APE9-dist-in | 4.8503 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.77 | 0.19 | 0.217 | C | 320.0 | 286.0 | 8 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6o95 | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O95D | Q9NWZ3 | 161 | 458 | 460.0 | LSV:503 | Type1 | Inactive | DFGin | 6.7141 | 13.781 | BLAminus | -126.14, -178.81 | 60.46, 90.73 | -111.09, 9.64 | 304.76, 99.65 | -59.01, -30.48 | in-out | in | 8.9078 | Saltbr-out | 4.9695 | HRD-in | -67.54, -51.97 | 72.39, 2.38 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8137 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.99, 146.99 | APE9-dihe-na | 137.73, 178.81 | APE8-dihe-in | -100.23, 111.63 | APE8-rot-in | 301.88 | APE67-dihe-in | -63.03, -17.06 | -59.78, -27.35 | APE12-dist-in | 10.1677 | APE11-dist-in | 11.9475 | APE10-dist-in | 6.7267 | APE9-dist-in | 4.7161 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.77 | 0.19 | 0.217 | D | 320.0 | 292.0 | 6 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6o95 | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O95A | Q9NWZ3 | 162 | 459 | 460.0 | LSV:502 | Type1 | Inactive | DFGin | 6.5143 | 14.1644 | BLAminus | -124.69, 178.36 | 63.9, 85.02 | -104.54, 7.03 | 304.14, 94.6 | -57.19, -35.8 | in-out | in | 8.8719 | Saltbr-out | 4.6326 | HRD-in | -66.91, -51.29 | 74.49, -0.76 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8041 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.02, 155.29 | APE9-dihe-na | 132.54, -175.83 | APE8-dihe-in | -104.27, 113.04 | APE8-rot-in | 302.9 | APE67-dihe-in | -57.84, -19.71 | -40.16, -52.66 | APE12-dist-in | 10.0524 | APE11-dist-in | 12.0481 | APE10-dist-in | 6.8824 | APE9-dist-in | 4.3628 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.77 | 0.19 | 0.217 | A | 320.0 | 291.0 | 7 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6o95 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O95B | Q9NWZ3 | 163 | 458 | 460.0 | LSV:501 | Type1 | Inactive | DFGin | 7.047 | 13.9336 | BLAminus | -128.69, 178.37 | 64.78, 86.4 | -106.95, 10.27 | 304.55, 103.52 | -56.04, -36.05 | in-out | in | 8.6869 | Saltbr-out | 5.348 | HRD-in | -68.16, -49.56 | 73.95, -1.69 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8208 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.52, 156.12 | APE9-dihe-na | 128.25, -179.73 | APE8-dihe-in | -105.09, 111.99 | APE8-rot-in | 310.32 | APE67-dihe-in | -60.91, -16.95 | -44.72, -45.17 | APE12-dist-in | 10.1353 | APE11-dist-in | 12.0602 | APE10-dist-in | 6.4328 | APE9-dist-in | 4.0004 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.77 | 0.19 | 0.217 | B | 320.0 | 279.0 | 17 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6o95 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O95C | Q9NWZ3 | 165 | 458 | 460.0 | LSV:501 | Type1 | Inactive | DFGin | 6.9177 | 13.9296 | BLAminus | -128.33, 177.09 | 66.35, 90.72 | -113.17, 15.76 | 309.56, 95.89 | -60.57, -32.1 | in-out | in | 8.9463 | Saltbr-out | 4.8251 | HRD-in | -67.67, -54.03 | 77.11, 0.43 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8077 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.77, 148.25 | APE9-dihe-na | 141.05, -171.27 | APE8-dihe-in | -106.42, 112.41 | APE8-rot-in | 303.07 | APE67-dihe-in | -59.27, -17.89 | -44.67, -47.52 | APE12-dist-in | 10.0305 | APE11-dist-in | 12.0003 | APE10-dist-in | 7.1669 | APE9-dist-in | 4.8503 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.77 | 0.19 | 0.217 | C | 320.0 | 286.0 | 8 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6o95 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O95D | Q9NWZ3 | 161 | 458 | 460.0 | LSV:503 | Type1 | Inactive | DFGin | 6.7141 | 13.781 | BLAminus | -126.14, -178.81 | 60.46, 90.73 | -111.09, 9.64 | 304.76, 99.65 | -59.01, -30.48 | in-out | in | 8.9078 | Saltbr-out | 4.9695 | HRD-in | -67.54, -51.97 | 72.39, 2.38 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8137 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.99, 146.99 | APE9-dihe-na | 137.73, 178.81 | APE8-dihe-in | -100.23, 111.63 | APE8-rot-in | 301.88 | APE67-dihe-in | -63.03, -17.06 | -59.78, -27.35 | APE12-dist-in | 10.1677 | APE11-dist-in | 11.9475 | APE10-dist-in | 6.7267 | APE9-dist-in | 4.7161 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.77 | 0.19 | 0.217 | D | 320.0 | 292.0 | 6 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6o95 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 |
|---|