| 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 | 4RMZA | Q9NWZ3 | 165 | 458 | 460.0 | T20:501 | Type1 | Inactive | DFGin | 6.9177 | 13.9891 | BLAminus | -126.68, 170.9 | 71.61, 84.5 | -108.32, 13.5 | 307.27, 99.22 | -63.08, -23.58 | in-out | in | 9.2564 | Saltbr-out | 5.0284 | HRD-in | -71.37, -54.68 | 82.53, 0.08 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6851 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.07, 154.46 | APE9-dihe-na | 140.89, -175.55 | APE8-dihe-in | -107.53, 124.9 | APE8-rot-in | 311.29 | APE67-dihe-in | -64.19, -16.01 | -66.65, -36.99 | APE12-dist-in | 10.1681 | APE11-dist-in | 11.8109 | APE10-dist-in | 6.8502 | APE9-dist-in | 3.935 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.2 | 0.239 | 0.296 | A | 307.0 | 287.0 | 7 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 4rmz | 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 | 4RMZB | Q9NWZ3 | 165 | 458 | 460.0 | T20:501 | Type1 | Inactive | DFGin | 6.6818 | 13.8372 | BLAminus | -127.34, 178.11 | 67.71, 81.3 | -107.41, 14.46 | 311.78, 87.68 | -59.65, -35.76 | in-out | in | 9.1851 | Saltbr-out | 4.3576 | HRD-in | -77.65, -51.27 | 81.38, -11.53 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8032 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.02, 148.94 | APE9-dihe-na | 142.43, 179.5 | APE8-dihe-in | -98.65, 120.34 | APE8-rot-in | 323.49 | APE67-dihe-in | -67.37, -15.66 | -55.22, -41.75 | APE12-dist-in | 10.2326 | APE11-dist-in | 12.0489 | APE10-dist-in | 6.7697 | APE9-dist-in | 4.476 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.2 | 0.239 | 0.296 | B | 307.0 | 284.0 | 10 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 4rmz | 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 | 4RMZA | Q9NWZ3 | 165 | 458 | 460.0 | T20:501 | Type1 | Inactive | DFGin | 6.9177 | 13.9891 | BLAminus | -126.68, 170.9 | 71.61, 84.5 | -108.32, 13.5 | 307.27, 99.22 | -63.08, -23.58 | in-out | in | 9.2564 | Saltbr-out | 5.0284 | HRD-in | -71.37, -54.68 | 82.53, 0.08 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6851 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.07, 154.46 | APE9-dihe-na | 140.89, -175.55 | APE8-dihe-in | -107.53, 124.9 | APE8-rot-in | 311.29 | APE67-dihe-in | -64.19, -16.01 | -66.65, -36.99 | APE12-dist-in | 10.1681 | APE11-dist-in | 11.8109 | APE10-dist-in | 6.8502 | APE9-dist-in | 3.935 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.2 | 0.239 | 0.296 | A | 307.0 | 287.0 | 7 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 4rmz | 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 | 4RMZB | Q9NWZ3 | 165 | 458 | 460.0 | T20:501 | Type1 | Inactive | DFGin | 6.6818 | 13.8372 | BLAminus | -127.34, 178.11 | 67.71, 81.3 | -107.41, 14.46 | 311.78, 87.68 | -59.65, -35.76 | in-out | in | 9.1851 | Saltbr-out | 4.3576 | HRD-in | -77.65, -51.27 | 81.38, -11.53 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8032 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.02, 148.94 | APE9-dihe-na | 142.43, 179.5 | APE8-dihe-in | -98.65, 120.34 | APE8-rot-in | 323.49 | APE67-dihe-in | -67.37, -15.66 | -55.22, -41.75 | APE12-dist-in | 10.2326 | APE11-dist-in | 12.0489 | APE10-dist-in | 6.7697 | APE9-dist-in | 4.476 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.2 | 0.239 | 0.296 | B | 307.0 | 284.0 | 10 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 4rmz | 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 |
|---|