| 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 | 6N8GA | Q9NWZ3 | 164 | 459 | 460.0 | KFD:501 | Type1 | Active | DFGin | 6.8567 | 13.8503 | BLAminus | -131.56, 170.5 | 74.43, 93.31 | -112.82, 5.9 | 310.67, 99.35 | -50.67, -35.36 | in-in | in | 8.7028 | Saltbr-in | 3.3998 | HRD-in | -74.01, -49.56 | 80.73, -4.62 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7886 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.5, 156.4 | APE9-dihe-na | 134.1, -163.0 | APE8-dihe-in | -125.24, 115.56 | APE8-rot-in | 300.55 | APE67-dihe-in | -58.51, -21.49 | -57.72, -36.7 | APE12-dist-in | 9.8814 | APE11-dist-in | 11.9887 | APE10-dist-in | 6.4694 | APE9-dist-in | 3.5414 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.177 | 0.22 | A | 297.0 | 288.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6n8g | 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 | 6N8GB | Q9NWZ3 | 164 | 459 | 460.0 | KFD:501 | Type1 | Inactive | DFGin | 6.6281 | 14.1098 | BLAminus | -131.69, 166.82 | 75.96, 91.11 | -108.83, 12.45 | 307.58, 107.24 | -56.0, -36.28 | in-out | in | 8.7951 | Saltbr-out | 3.6551 | HRD-in | -73.96, -48.59 | 79.13, -6.97 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8853 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.24, 163.81 | APE9-dihe-na | 129.93, -172.68 | APE8-dihe-in | -114.06, 121.63 | APE8-rot-in | 306.03 | APE67-dihe-in | -58.98, -19.75 | -56.52, -43.04 | APE12-dist-in | 9.8694 | APE11-dist-in | 12.0081 | APE10-dist-in | 6.4514 | APE9-dist-in | 3.6106 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.177 | 0.22 | B | 297.0 | 286.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6n8g | 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 | 6N8GC | Q9NWZ3 | 164 | 459 | 460.0 | KFD:501 | Type1 | Active | DFGin | 6.674 | 13.7674 | BLAminus | -132.63, 173.5 | 73.5, 89.42 | -109.51, 12.57 | 307.44, 107.33 | -58.55, -28.35 | in-in | in | 8.8096 | Saltbr-in | 3.3471 | HRD-in | -80.2, -52.37 | 80.38, -6.83 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8023 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.29, 155.42 | APE9-dihe-na | 139.08, -169.18 | APE8-dihe-in | -120.47, 120.87 | APE8-rot-in | 299.74 | APE67-dihe-in | -68.05, -14.89 | -52.69, -42.94 | APE12-dist-in | 10.023 | APE11-dist-in | 11.9495 | APE10-dist-in | 6.3533 | APE9-dist-in | 3.6611 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.177 | 0.22 | C | 297.0 | 289.0 | 7 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6n8g | 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 | 6N8GD | Q9NWZ3 | 164 | 459 | 460.0 | KFD:501 | Type1 | Active | DFGin | 6.8489 | 14.0366 | BLAminus | -133.11, 174.94 | 69.68, 87.35 | -112.0, 19.02 | 309.42, 96.14 | -69.47, -26.65 | in-in | in | 8.4657 | Saltbr-in | 3.0627 | HRD-in | -74.85, -48.34 | 77.85, -6.98 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9429 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.26, 155.15 | APE9-dihe-na | 138.35, -169.27 | APE8-dihe-in | -119.34, 119.24 | APE8-rot-in | 303.95 | APE67-dihe-in | -65.64, -14.54 | -58.36, -38.59 | APE12-dist-in | 9.773 | APE11-dist-in | 11.8987 | APE10-dist-in | 6.4105 | APE9-dist-in | 3.7994 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.177 | 0.22 | D | 297.0 | 280.0 | 16 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6n8g | 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 | 6N8GA | Q9NWZ3 | 164 | 459 | 460.0 | KFD:501 | Type1 | Active | DFGin | 6.8567 | 13.8503 | BLAminus | -131.56, 170.5 | 74.43, 93.31 | -112.82, 5.9 | 310.67, 99.35 | -50.67, -35.36 | in-in | in | 8.7028 | Saltbr-in | 3.3998 | HRD-in | -74.01, -49.56 | 80.73, -4.62 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7886 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.5, 156.4 | APE9-dihe-na | 134.1, -163.0 | APE8-dihe-in | -125.24, 115.56 | APE8-rot-in | 300.55 | APE67-dihe-in | -58.51, -21.49 | -57.72, -36.7 | APE12-dist-in | 9.8814 | APE11-dist-in | 11.9887 | APE10-dist-in | 6.4694 | APE9-dist-in | 3.5414 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.177 | 0.22 | A | 297.0 | 288.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6n8g | 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 | 6N8GB | Q9NWZ3 | 164 | 459 | 460.0 | KFD:501 | Type1 | Inactive | DFGin | 6.6281 | 14.1098 | BLAminus | -131.69, 166.82 | 75.96, 91.11 | -108.83, 12.45 | 307.58, 107.24 | -56.0, -36.28 | in-out | in | 8.7951 | Saltbr-out | 3.6551 | HRD-in | -73.96, -48.59 | 79.13, -6.97 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8853 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.24, 163.81 | APE9-dihe-na | 129.93, -172.68 | APE8-dihe-in | -114.06, 121.63 | APE8-rot-in | 306.03 | APE67-dihe-in | -58.98, -19.75 | -56.52, -43.04 | APE12-dist-in | 9.8694 | APE11-dist-in | 12.0081 | APE10-dist-in | 6.4514 | APE9-dist-in | 3.6106 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.177 | 0.22 | B | 297.0 | 286.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6n8g | 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 | 6N8GC | Q9NWZ3 | 164 | 459 | 460.0 | KFD:501 | Type1 | Active | DFGin | 6.674 | 13.7674 | BLAminus | -132.63, 173.5 | 73.5, 89.42 | -109.51, 12.57 | 307.44, 107.33 | -58.55, -28.35 | in-in | in | 8.8096 | Saltbr-in | 3.3471 | HRD-in | -80.2, -52.37 | 80.38, -6.83 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8023 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.29, 155.42 | APE9-dihe-na | 139.08, -169.18 | APE8-dihe-in | -120.47, 120.87 | APE8-rot-in | 299.74 | APE67-dihe-in | -68.05, -14.89 | -52.69, -42.94 | APE12-dist-in | 10.023 | APE11-dist-in | 11.9495 | APE10-dist-in | 6.3533 | APE9-dist-in | 3.6611 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.177 | 0.22 | C | 297.0 | 289.0 | 7 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6n8g | 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 | 6N8GD | Q9NWZ3 | 164 | 459 | 460.0 | KFD:501 | Type1 | Active | DFGin | 6.8489 | 14.0366 | BLAminus | -133.11, 174.94 | 69.68, 87.35 | -112.0, 19.02 | 309.42, 96.14 | -69.47, -26.65 | in-in | in | 8.4657 | Saltbr-in | 3.0627 | HRD-in | -74.85, -48.34 | 77.85, -6.98 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9429 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.26, 155.15 | APE9-dihe-na | 138.35, -169.27 | APE8-dihe-in | -119.34, 119.24 | APE8-rot-in | 303.95 | APE67-dihe-in | -65.64, -14.54 | -58.36, -38.59 | APE12-dist-in | 9.773 | APE11-dist-in | 11.8987 | APE10-dist-in | 6.4105 | APE9-dist-in | 3.7994 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.177 | 0.22 | D | 297.0 | 280.0 | 16 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6n8g | 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 |
|---|