| 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 | 2O8YA | Q9NWZ3 | 165 | 459 | 460.0 | No_ligand | No_ligand | Inactive | DFGin | 6.8416 | 14.5911 | BLAminus | -132.39, 177.22 | 66.07, 84.3 | -105.54, 20.57 | 305.43, 80.78 | -65.44, -21.01 | in-out | in | 9.2203 | Saltbr-out | 5.2604 | HRD-in | -67.22, -51.44 | 76.47, -5.87 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6453 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.99, 161.49 | APE9-dihe-na | 137.04, -166.6 | APE8-dihe-in | -112.18, 123.59 | APE8-rot-in | 299.28 | APE67-dihe-in | -59.66, -14.58 | -45.01, -56.42 | APE12-dist-in | 10.1061 | APE11-dist-in | 11.7981 | APE10-dist-in | 6.4734 | APE9-dist-in | 3.6984 | None | TPO342,TPO345 | MSE192,MSE237,MSE265,MSE287,TPO342,MSE344,TPO345,MSE355,MSE418,MSE429,MSE457 | XRAY | 2.4 | 0.246 | 0.289 | A | 298.0 | 280.0 | 15 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 2o8y | TKL_IRAK4_HUMAN | TKL | 3.9e-84 | 288.3 | 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 | 2O8YB | Q9NWZ3 | 165 | 459 | 460.0 | No_ligand | No_ligand | Inactive | DFGin | 6.9821 | 14.8022 | BLAminus | -133.86, -178.63 | 62.43, 89.29 | -111.36, 23.7 | 306.19, 76.11 | -69.27, -12.74 | in-out | in | 8.717 | Saltbr-out | 4.0968 | HRD-in | -66.08, -48.44 | 73.53, 0.66 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8454 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.84, 167.68 | APE9-dihe-na | 128.52, -172.33 | APE8-dihe-in | -109.54, 116.11 | APE8-rot-in | 303.67 | APE67-dihe-in | -57.63, -18.12 | -43.35, -51.59 | APE12-dist-in | 10.3467 | APE11-dist-in | 11.6456 | APE10-dist-in | 6.2992 | APE9-dist-in | 3.8249 | None | TPO342,TPO345 | MSE192,MSE237,MSE265,MSE287,TPO342,MSE344,TPO345,MSE355,MSE418,MSE429,MSE457 | XRAY | 2.4 | 0.246 | 0.289 | B | 298.0 | 277.0 | 18 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 2o8y | TKL_IRAK4_HUMAN | TKL | 3.9e-84 | 288.3 | 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 | 2O8YA | Q9NWZ3 | 165 | 459 | 460.0 | No_ligand | No_ligand | Inactive | DFGin | 6.8416 | 14.5911 | BLAminus | -132.39, 177.22 | 66.07, 84.3 | -105.54, 20.57 | 305.43, 80.78 | -65.44, -21.01 | in-out | in | 9.2203 | Saltbr-out | 5.2604 | HRD-in | -67.22, -51.44 | 76.47, -5.87 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6453 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.99, 161.49 | APE9-dihe-na | 137.04, -166.6 | APE8-dihe-in | -112.18, 123.59 | APE8-rot-in | 299.28 | APE67-dihe-in | -59.66, -14.58 | -45.01, -56.42 | APE12-dist-in | 10.1061 | APE11-dist-in | 11.7981 | APE10-dist-in | 6.4734 | APE9-dist-in | 3.6984 | None | TPO342,TPO345 | MSE192,MSE237,MSE265,MSE287,TPO342,MSE344,TPO345,MSE355,MSE418,MSE429,MSE457 | XRAY | 2.4 | 0.246 | 0.289 | A | 298.0 | 280.0 | 15 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 2o8y | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 3.9e-84 | 288.3 | 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 | 2O8YB | Q9NWZ3 | 165 | 459 | 460.0 | No_ligand | No_ligand | Inactive | DFGin | 6.9821 | 14.8022 | BLAminus | -133.86, -178.63 | 62.43, 89.29 | -111.36, 23.7 | 306.19, 76.11 | -69.27, -12.74 | in-out | in | 8.717 | Saltbr-out | 4.0968 | HRD-in | -66.08, -48.44 | 73.53, 0.66 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8454 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.84, 167.68 | APE9-dihe-na | 128.52, -172.33 | APE8-dihe-in | -109.54, 116.11 | APE8-rot-in | 303.67 | APE67-dihe-in | -57.63, -18.12 | -43.35, -51.59 | APE12-dist-in | 10.3467 | APE11-dist-in | 11.6456 | APE10-dist-in | 6.2992 | APE9-dist-in | 3.8249 | None | TPO342,TPO345 | MSE192,MSE237,MSE265,MSE287,TPO342,MSE344,TPO345,MSE355,MSE418,MSE429,MSE457 | XRAY | 2.4 | 0.246 | 0.289 | B | 298.0 | 277.0 | 18 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 2o8y | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 3.9e-84 | 288.3 | 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 |
|---|