| 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 | 5KX7B | Q9NWZ3 | 163 | 459 | 460.0 | 6YD:9901 | Type1 | Active | DFGin | 6.8554 | 13.2518 | BLAminus | -138.07, 174.73 | 58.64, 80.86 | -106.82, 34.07 | 322.11, 87.79 | -71.78, -44.9 | in-in | in | 8.6821 | Saltbr-in | 3.2371 | HRD-in | -69.76, -47.63 | 72.83, 1.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7592 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -136.02, 154.26 | APE9-dihe-na | 136.96, -175.89 | APE8-dihe-in | -105.94, 108.82 | APE8-rot-in | 305.34 | APE67-dihe-in | -58.95, -17.61 | -32.77, -53.96 | APE12-dist-in | 9.941 | APE11-dist-in | 11.4956 | APE10-dist-in | 6.1747 | APE9-dist-in | 3.7173 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.8 | 0.213 | 0.25 | B | 301.0 | 289.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 5kx7 | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 5KX7A | Q9NWZ3 | 192 | 459 | 460.0 | No_ligand | No_ligand | Inactive | None | 7.5134 | 999.0 | None | -138.26, 174.6 | 58.57, 81.01 | -106.91, 34.11 | 322.12, 87.89 | -72.06, -44.46 | none-none | none | 999.0 | Saltbr-none | 999.0 | HRD-in | -69.47, -47.61 | 72.64, 1.38 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.7601 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -136.3, 154.34 | APE9-dihe-na | 136.56, -175.85 | APE8-dihe-in | -106.22, 109.07 | APE8-rot-in | 305.46 | APE67-dihe-in | -59.17, -17.42 | -32.79, -54.17 | APE12-dist-in | 9.9579 | APE11-dist-in | 11.4997 | APE10-dist-in | 6.1778 | APE9-dist-in | 3.7121 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.8 | 0.213 | 0.25 | A | 301.0 | 240.0 | 45 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 5kx7 | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 5KX7B | Q9NWZ3 | 163 | 459 | 460.0 | 6YD:9901 | Type1 | Active | DFGin | 6.8554 | 13.2518 | BLAminus | -138.07, 174.73 | 58.64, 80.86 | -106.82, 34.07 | 322.11, 87.79 | -71.78, -44.9 | in-in | in | 8.6821 | Saltbr-in | 3.2371 | HRD-in | -69.76, -47.63 | 72.83, 1.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7592 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -136.02, 154.26 | APE9-dihe-na | 136.96, -175.89 | APE8-dihe-in | -105.94, 108.82 | APE8-rot-in | 305.34 | APE67-dihe-in | -58.95, -17.61 | -32.77, -53.96 | APE12-dist-in | 9.941 | APE11-dist-in | 11.4956 | APE10-dist-in | 6.1747 | APE9-dist-in | 3.7173 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.8 | 0.213 | 0.25 | B | 301.0 | 289.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 5kx7 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 5KX7A | Q9NWZ3 | 192 | 459 | 460.0 | No_ligand | No_ligand | Inactive | None | 7.5134 | 999.0 | None | -138.26, 174.6 | 58.57, 81.01 | -106.91, 34.11 | 322.12, 87.89 | -72.06, -44.46 | none-none | none | 999.0 | Saltbr-none | 999.0 | HRD-in | -69.47, -47.61 | 72.64, 1.38 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.7601 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -136.3, 154.34 | APE9-dihe-na | 136.56, -175.85 | APE8-dihe-in | -106.22, 109.07 | APE8-rot-in | 305.46 | APE67-dihe-in | -59.17, -17.42 | -32.79, -54.17 | APE12-dist-in | 9.9579 | APE11-dist-in | 11.4997 | APE10-dist-in | 6.1778 | APE9-dist-in | 3.7121 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.8 | 0.213 | 0.25 | A | 301.0 | 240.0 | 45 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 5kx7 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-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 |
|---|