| 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 | 8ATBAAA | Q9NWZ3 | 165 | 459 | 460.0 | O0H:501 | Type1 | Inactive | DFGin | 6.9325 | 14.0449 | BLAminus | -121.47, 173.79 | 68.09, 102.5 | -125.51, 19.89 | 306.28, 88.96 | -63.31, -35.55 | in-out | in | 9.0143 | Saltbr-out | 4.7306 | HRD-in | -76.64, -56.17 | 81.36, 1.11 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7117 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.25, 147.68 | APE9-dihe-na | 138.07, -176.27 | APE8-dihe-in | -102.25, 110.92 | APE8-rot-in | 311.13 | APE67-dihe-in | -58.31, -27.03 | -61.07, -35.05 | APE12-dist-in | 10.3429 | APE11-dist-in | 11.7734 | APE10-dist-in | 6.4836 | APE9-dist-in | 4.0423 | K400A,E401A,E402A | TPO345,SEP346 | CSO240,CSO289,TPO345,SEP346 | XRAY | 2.35 | 0.214 | 0.26 | AAA | 298.0 | 280.0 | 15 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 8atb | TKL_IRAK4_HUMAN | TKL | 1.3e-83 | 286.6 | 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 | 8ATBBBB | Q9NWZ3 | 165 | 459 | 460.0 | O0H:501 | Type1 | Inactive | DFGin | 7.2148 | 13.7854 | BLAminus | -128.79, 170.66 | 65.65, 84.73 | -111.53, 16.19 | 311.14, 85.88 | -77.86, -13.48 | in-out | in | 8.5669 | Saltbr-out | 7.2399 | HRD-in | -72.73, -56.78 | 83.28, 0.6 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6798 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.97, 161.24 | APE9-dihe-na | 134.69, -177.34 | APE8-dihe-in | -106.53, 101.49 | APE8-rot-in | 315.43 | APE67-dihe-in | -62.03, -21.88 | -37.43, -49.3 | APE12-dist-in | 10.6974 | APE11-dist-in | 12.0305 | APE10-dist-in | 7.3801 | APE9-dist-in | 4.3329 | K400A,E401A,E402A | TPO345,SEP346 | CSO240,CSO289,TPO345,SEP346 | XRAY | 2.35 | 0.214 | 0.26 | BBB | 298.0 | 282.0 | 13 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8atb | TKL_IRAK4_HUMAN | TKL | 1.3e-83 | 286.6 | 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 | 8ATBAAA | Q9NWZ3 | 165 | 459 | 460.0 | O0H:501 | Type1 | Inactive | DFGin | 6.9325 | 14.0449 | BLAminus | -121.47, 173.79 | 68.09, 102.5 | -125.51, 19.89 | 306.28, 88.96 | -63.31, -35.55 | in-out | in | 9.0143 | Saltbr-out | 4.7306 | HRD-in | -76.64, -56.17 | 81.36, 1.11 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7117 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.25, 147.68 | APE9-dihe-na | 138.07, -176.27 | APE8-dihe-in | -102.25, 110.92 | APE8-rot-in | 311.13 | APE67-dihe-in | -58.31, -27.03 | -61.07, -35.05 | APE12-dist-in | 10.3429 | APE11-dist-in | 11.7734 | APE10-dist-in | 6.4836 | APE9-dist-in | 4.0423 | K400A,E401A,E402A | TPO345,SEP346 | CSO240,CSO289,TPO345,SEP346 | XRAY | 2.35 | 0.214 | 0.26 | AAA | 298.0 | 280.0 | 15 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 8atb | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 1.3e-83 | 286.6 | 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 | 8ATBBBB | Q9NWZ3 | 165 | 459 | 460.0 | O0H:501 | Type1 | Inactive | DFGin | 7.2148 | 13.7854 | BLAminus | -128.79, 170.66 | 65.65, 84.73 | -111.53, 16.19 | 311.14, 85.88 | -77.86, -13.48 | in-out | in | 8.5669 | Saltbr-out | 7.2399 | HRD-in | -72.73, -56.78 | 83.28, 0.6 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6798 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.97, 161.24 | APE9-dihe-na | 134.69, -177.34 | APE8-dihe-in | -106.53, 101.49 | APE8-rot-in | 315.43 | APE67-dihe-in | -62.03, -21.88 | -37.43, -49.3 | APE12-dist-in | 10.6974 | APE11-dist-in | 12.0305 | APE10-dist-in | 7.3801 | APE9-dist-in | 4.3329 | K400A,E401A,E402A | TPO345,SEP346 | CSO240,CSO289,TPO345,SEP346 | XRAY | 2.35 | 0.214 | 0.26 | BBB | 298.0 | 282.0 | 13 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8atb | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 1.3e-83 | 286.6 | 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 |
|---|