| 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 | 8V2FA | Q9NWZ3 | 163 | 459 | 460.0 | YJU:60501 | Type1 | Inactive | DFGin | 6.8702 | 13.9122 | BLAminus | -130.46, 167.87 | 71.07, 88.15 | -105.99, 14.17 | 306.33, 105.04 | -63.43, -29.84 | in-out | in | 8.7525 | Saltbr-out | 6.6469 | HRD-in | -75.59, -51.25 | 77.14, -1.53 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7595 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.46, 160.72 | APE9-dihe-na | 130.93, -172.56 | APE8-dihe-in | -109.8, 115.15 | APE8-rot-in | 307.79 | APE67-dihe-in | -64.1, -12.85 | -49.44, -45.85 | APE12-dist-in | 9.9997 | APE11-dist-in | 11.6907 | APE10-dist-in | 6.2636 | APE9-dist-in | 3.8414 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.09 | 0.17 | 0.208 | A | 327.0 | 297.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 8v2f | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2FB | Q9NWZ3 | 162 | 459 | 460.0 | YJU:60501 | Type1 | Inactive | DFGin | 6.791 | 13.9203 | BLAminus | -128.51, 168.52 | 71.95, 86.21 | -105.97, 13.84 | 307.27, 104.55 | -61.45, -29.65 | in-out | in | 8.6134 | Saltbr-out | 4.6866 | HRD-in | -73.0, -49.88 | 77.29, -2.9 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7666 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.29, 159.97 | APE9-dihe-na | 133.0, -176.78 | APE8-dihe-in | -107.14, 116.65 | APE8-rot-in | 305.27 | APE67-dihe-in | -65.9, -12.4 | -47.02, -47.36 | APE12-dist-in | 9.8602 | APE11-dist-in | 11.7515 | APE10-dist-in | 6.2634 | APE9-dist-in | 3.7427 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.09 | 0.17 | 0.208 | B | 327.0 | 298.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 8v2f | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2FC | Q9NWZ3 | 160 | 459 | 460.0 | YJU:60501 | Type1 | Inactive | DFGin | 6.7489 | 13.9597 | BLAminus | -128.52, 169.77 | 69.32, 87.03 | -106.73, 13.85 | 307.97, 104.15 | -62.29, -28.75 | in-out | in | 8.627 | Saltbr-out | 4.5488 | HRD-in | -75.43, -50.45 | 76.09, 0.63 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7812 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.14, 162.06 | APE9-dihe-na | 130.19, -174.89 | APE8-dihe-in | -108.77, 116.12 | APE8-rot-in | 305.67 | APE67-dihe-in | -65.6, -13.25 | -47.01, -47.42 | APE12-dist-in | 9.8432 | APE11-dist-in | 11.6233 | APE10-dist-in | 6.0978 | APE9-dist-in | 3.7165 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.09 | 0.17 | 0.208 | C | 327.0 | 300.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 8v2f | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2FD | Q9NWZ3 | 163 | 459 | 460.0 | YJU:60501 | Type1 | Inactive | DFGin | 6.86 | 14.0001 | BLAminus | -128.26, 168.26 | 72.7, 86.48 | -106.33, 14.33 | 307.69, 103.31 | -60.7, -31.69 | in-out | in | 8.8572 | Saltbr-out | 6.2889 | HRD-in | -76.04, -50.4 | 78.3, -1.88 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7509 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.81, 159.65 | APE9-dihe-na | 129.85, -177.51 | APE8-dihe-in | -108.36, 116.16 | APE8-rot-in | 308.63 | APE67-dihe-in | -62.97, -13.61 | -47.53, -48.41 | APE12-dist-in | 10.0513 | APE11-dist-in | 11.8961 | APE10-dist-in | 6.3897 | APE9-dist-in | 3.7603 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.09 | 0.17 | 0.208 | D | 327.0 | 294.0 | 3 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 8v2f | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2FA | Q9NWZ3 | 163 | 459 | 460.0 | YJU:60501 | Type1 | Inactive | DFGin | 6.8702 | 13.9122 | BLAminus | -130.46, 167.87 | 71.07, 88.15 | -105.99, 14.17 | 306.33, 105.04 | -63.43, -29.84 | in-out | in | 8.7525 | Saltbr-out | 6.6469 | HRD-in | -75.59, -51.25 | 77.14, -1.53 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7595 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.46, 160.72 | APE9-dihe-na | 130.93, -172.56 | APE8-dihe-in | -109.8, 115.15 | APE8-rot-in | 307.79 | APE67-dihe-in | -64.1, -12.85 | -49.44, -45.85 | APE12-dist-in | 9.9997 | APE11-dist-in | 11.6907 | APE10-dist-in | 6.2636 | APE9-dist-in | 3.8414 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.09 | 0.17 | 0.208 | A | 327.0 | 297.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 8v2f | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2FB | Q9NWZ3 | 162 | 459 | 460.0 | YJU:60501 | Type1 | Inactive | DFGin | 6.791 | 13.9203 | BLAminus | -128.51, 168.52 | 71.95, 86.21 | -105.97, 13.84 | 307.27, 104.55 | -61.45, -29.65 | in-out | in | 8.6134 | Saltbr-out | 4.6866 | HRD-in | -73.0, -49.88 | 77.29, -2.9 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7666 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.29, 159.97 | APE9-dihe-na | 133.0, -176.78 | APE8-dihe-in | -107.14, 116.65 | APE8-rot-in | 305.27 | APE67-dihe-in | -65.9, -12.4 | -47.02, -47.36 | APE12-dist-in | 9.8602 | APE11-dist-in | 11.7515 | APE10-dist-in | 6.2634 | APE9-dist-in | 3.7427 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.09 | 0.17 | 0.208 | B | 327.0 | 298.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 8v2f | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2FC | Q9NWZ3 | 160 | 459 | 460.0 | YJU:60501 | Type1 | Inactive | DFGin | 6.7489 | 13.9597 | BLAminus | -128.52, 169.77 | 69.32, 87.03 | -106.73, 13.85 | 307.97, 104.15 | -62.29, -28.75 | in-out | in | 8.627 | Saltbr-out | 4.5488 | HRD-in | -75.43, -50.45 | 76.09, 0.63 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7812 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.14, 162.06 | APE9-dihe-na | 130.19, -174.89 | APE8-dihe-in | -108.77, 116.12 | APE8-rot-in | 305.67 | APE67-dihe-in | -65.6, -13.25 | -47.01, -47.42 | APE12-dist-in | 9.8432 | APE11-dist-in | 11.6233 | APE10-dist-in | 6.0978 | APE9-dist-in | 3.7165 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.09 | 0.17 | 0.208 | C | 327.0 | 300.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 8v2f | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2FD | Q9NWZ3 | 163 | 459 | 460.0 | YJU:60501 | Type1 | Inactive | DFGin | 6.86 | 14.0001 | BLAminus | -128.26, 168.26 | 72.7, 86.48 | -106.33, 14.33 | 307.69, 103.31 | -60.7, -31.69 | in-out | in | 8.8572 | Saltbr-out | 6.2889 | HRD-in | -76.04, -50.4 | 78.3, -1.88 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7509 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.81, 159.65 | APE9-dihe-na | 129.85, -177.51 | APE8-dihe-in | -108.36, 116.16 | APE8-rot-in | 308.63 | APE67-dihe-in | -62.97, -13.61 | -47.53, -48.41 | APE12-dist-in | 10.0513 | APE11-dist-in | 11.8961 | APE10-dist-in | 6.3897 | APE9-dist-in | 3.7603 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.09 | 0.17 | 0.208 | D | 327.0 | 294.0 | 3 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 8v2f | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 |
|---|