| 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 | 5UIUA | Q9NWZ3 | 165 | 458 | 460.0 | 8CG:4000 | Type1 | Inactive | DFGin | 7.0714 | 14.1912 | BLAminus | -128.0, 178.75 | 57.4, 86.68 | -103.61, 15.12 | 305.49, 98.8 | -59.8, -27.73 | in-out | in | 9.029 | Saltbr-out | 3.9038 | HRD-in | -69.77, -50.91 | 79.77, -5.91 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7343 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.31, 159.24 | APE9-dihe-na | 132.22, -173.23 | APE8-dihe-in | -109.61, 111.77 | APE8-rot-in | 308.77 | APE67-dihe-in | -62.44, -17.23 | -49.55, -40.12 | APE12-dist-in | 10.0557 | APE11-dist-in | 11.9469 | APE10-dist-in | 6.4345 | APE9-dist-in | 3.8865 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.02 | 0.186 | 0.204 | A | 323.0 | 289.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 5uiu | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UIUB | Q9NWZ3 | 164 | 458 | 460.0 | 8CG:4000 | Type1 | Inactive | DFGin | 7.0024 | 14.0448 | BLAminus | -130.9, 173.2 | 66.57, 85.65 | -106.49, 15.18 | 305.82, 98.74 | -60.25, -27.45 | in-out | in | 9.0772 | Saltbr-out | 4.1991 | HRD-in | -69.82, -51.52 | 78.72, -3.57 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7287 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.42, 157.5 | APE9-dihe-na | 132.2, -173.12 | APE8-dihe-in | -109.05, 111.57 | APE8-rot-in | 309.25 | APE67-dihe-in | -61.49, -18.85 | -44.37, -45.98 | APE12-dist-in | 10.1021 | APE11-dist-in | 11.9995 | APE10-dist-in | 6.4787 | APE9-dist-in | 3.9707 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.02 | 0.186 | 0.204 | B | 323.0 | 290.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 5uiu | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UIUA | Q9NWZ3 | 165 | 458 | 460.0 | 8CG:4000 | Type1 | Inactive | DFGin | 7.0714 | 14.1912 | BLAminus | -128.0, 178.75 | 57.4, 86.68 | -103.61, 15.12 | 305.49, 98.8 | -59.8, -27.73 | in-out | in | 9.029 | Saltbr-out | 3.9038 | HRD-in | -69.77, -50.91 | 79.77, -5.91 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7343 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.31, 159.24 | APE9-dihe-na | 132.22, -173.23 | APE8-dihe-in | -109.61, 111.77 | APE8-rot-in | 308.77 | APE67-dihe-in | -62.44, -17.23 | -49.55, -40.12 | APE12-dist-in | 10.0557 | APE11-dist-in | 11.9469 | APE10-dist-in | 6.4345 | APE9-dist-in | 3.8865 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.02 | 0.186 | 0.204 | A | 323.0 | 289.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 5uiu | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UIUB | Q9NWZ3 | 164 | 458 | 460.0 | 8CG:4000 | Type1 | Inactive | DFGin | 7.0024 | 14.0448 | BLAminus | -130.9, 173.2 | 66.57, 85.65 | -106.49, 15.18 | 305.82, 98.74 | -60.25, -27.45 | in-out | in | 9.0772 | Saltbr-out | 4.1991 | HRD-in | -69.82, -51.52 | 78.72, -3.57 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7287 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.42, 157.5 | APE9-dihe-na | 132.2, -173.12 | APE8-dihe-in | -109.05, 111.57 | APE8-rot-in | 309.25 | APE67-dihe-in | -61.49, -18.85 | -44.37, -45.98 | APE12-dist-in | 10.1021 | APE11-dist-in | 11.9995 | APE10-dist-in | 6.4787 | APE9-dist-in | 3.9707 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.02 | 0.186 | 0.204 | B | 323.0 | 290.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 5uiu | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-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 |
|---|