| 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 | 8BR5AAA | Q9NWZ3 | 163 | 459 | 460.0 | R73:501 | Type1 | Inactive | DFGin | 6.8909 | 13.5487 | BLAminus | -135.64, 166.52 | 72.95, 87.11 | -114.61, 20.95 | 314.97, 96.05 | -63.79, -34.13 | in-out | in | 8.5773 | Saltbr-out | 5.1263 | HRD-in | -65.01, -58.54 | 82.12, 4.04 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6426 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.82, 159.99 | APE9-dihe-na | 128.75, -171.24 | APE8-dihe-in | -115.19, 111.48 | APE8-rot-in | 311.1 | APE67-dihe-in | -62.63, -23.51 | -40.08, -50.26 | APE12-dist-in | 9.8978 | APE11-dist-in | 11.8187 | APE10-dist-in | 6.2927 | APE9-dist-in | 3.5113 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.7 | 0.215 | 0.254 | AAA | 299.0 | 285.0 | 12 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8br5 | TKL_IRAK4_HUMAN | TKL | 4e-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 | 8BR5BBB | Q9NWZ3 | 162 | 459 | 460.0 | R73:501 | Type1 | Inactive | DFGin | 6.8575 | 13.7617 | BLAminus | -136.08, 166.61 | 73.3, 87.27 | -114.6, 19.85 | 314.86, 95.64 | -65.31, -30.39 | in-out | in | 8.5226 | Saltbr-out | 3.7294 | HRD-in | -65.19, -58.29 | 82.32, 3.9 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.1133 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.6, 159.09 | APE9-dihe-na | 128.61, -173.24 | APE8-dihe-in | -115.27, 111.19 | APE8-rot-in | 312.87 | APE67-dihe-in | -62.24, -23.3 | -41.16, -49.65 | APE12-dist-in | 10.2149 | APE11-dist-in | 11.8096 | APE10-dist-in | 6.2677 | APE9-dist-in | 3.5494 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.7 | 0.215 | 0.254 | BBB | 299.0 | 286.0 | 12 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8br5 | TKL_IRAK4_HUMAN | TKL | 4e-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 | 8BR5CCC | Q9NWZ3 | 163 | 459 | 460.0 | R73:501 | Type1 | Inactive | DFGin | 6.708 | 13.7926 | BLAminus | -136.19, 166.86 | 72.98, 86.7 | -114.08, 20.57 | 315.82, 89.7 | -62.71, -31.97 | in-out | in | 8.6814 | Saltbr-out | 3.7563 | HRD-in | -65.25, -58.07 | 82.96, 3.39 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.958 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.36, 158.08 | APE9-dihe-na | 127.09, -172.58 | APE8-dihe-in | -114.98, 111.31 | APE8-rot-in | 311.74 | APE67-dihe-in | -61.49, -24.18 | -41.35, -49.9 | APE12-dist-in | 10.074 | APE11-dist-in | 11.8248 | APE10-dist-in | 6.1654 | APE9-dist-in | 3.5104 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.7 | 0.215 | 0.254 | CCC | 299.0 | 284.0 | 13 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8br5 | TKL_IRAK4_HUMAN | TKL | 4e-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 | 8BR5DDD | Q9NWZ3 | 164 | 459 | 460.0 | R73:501 | Type1 | Inactive | DFGin | 6.9291 | 13.6331 | BLAminus | -135.77, 166.02 | 73.96, 87.25 | -114.76, 19.82 | 314.36, 95.52 | -65.27, -32.15 | in-out | in | 8.387 | Saltbr-out | 3.6821 | HRD-in | -64.82, -58.41 | 82.56, 3.65 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6458 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.87, 159.3 | APE9-dihe-na | 128.38, -172.65 | APE8-dihe-in | -115.23, 111.34 | APE8-rot-in | 311.38 | APE67-dihe-in | -63.77, -22.78 | -39.6, -50.55 | APE12-dist-in | 9.8784 | APE11-dist-in | 11.8965 | APE10-dist-in | 6.3607 | APE9-dist-in | 3.5306 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.7 | 0.215 | 0.254 | DDD | 299.0 | 285.0 | 11 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8br5 | TKL_IRAK4_HUMAN | TKL | 4e-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 | 8BR5AAA | Q9NWZ3 | 163 | 459 | 460.0 | R73:501 | Type1 | Inactive | DFGin | 6.8909 | 13.5487 | BLAminus | -135.64, 166.52 | 72.95, 87.11 | -114.61, 20.95 | 314.97, 96.05 | -63.79, -34.13 | in-out | in | 8.5773 | Saltbr-out | 5.1263 | HRD-in | -65.01, -58.54 | 82.12, 4.04 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6426 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.82, 159.99 | APE9-dihe-na | 128.75, -171.24 | APE8-dihe-in | -115.19, 111.48 | APE8-rot-in | 311.1 | APE67-dihe-in | -62.63, -23.51 | -40.08, -50.26 | APE12-dist-in | 9.8978 | APE11-dist-in | 11.8187 | APE10-dist-in | 6.2927 | APE9-dist-in | 3.5113 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.7 | 0.215 | 0.254 | AAA | 299.0 | 285.0 | 12 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8br5 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4e-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 | 8BR5BBB | Q9NWZ3 | 162 | 459 | 460.0 | R73:501 | Type1 | Inactive | DFGin | 6.8575 | 13.7617 | BLAminus | -136.08, 166.61 | 73.3, 87.27 | -114.6, 19.85 | 314.86, 95.64 | -65.31, -30.39 | in-out | in | 8.5226 | Saltbr-out | 3.7294 | HRD-in | -65.19, -58.29 | 82.32, 3.9 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.1133 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.6, 159.09 | APE9-dihe-na | 128.61, -173.24 | APE8-dihe-in | -115.27, 111.19 | APE8-rot-in | 312.87 | APE67-dihe-in | -62.24, -23.3 | -41.16, -49.65 | APE12-dist-in | 10.2149 | APE11-dist-in | 11.8096 | APE10-dist-in | 6.2677 | APE9-dist-in | 3.5494 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.7 | 0.215 | 0.254 | BBB | 299.0 | 286.0 | 12 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8br5 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4e-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 | 8BR5CCC | Q9NWZ3 | 163 | 459 | 460.0 | R73:501 | Type1 | Inactive | DFGin | 6.708 | 13.7926 | BLAminus | -136.19, 166.86 | 72.98, 86.7 | -114.08, 20.57 | 315.82, 89.7 | -62.71, -31.97 | in-out | in | 8.6814 | Saltbr-out | 3.7563 | HRD-in | -65.25, -58.07 | 82.96, 3.39 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.958 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.36, 158.08 | APE9-dihe-na | 127.09, -172.58 | APE8-dihe-in | -114.98, 111.31 | APE8-rot-in | 311.74 | APE67-dihe-in | -61.49, -24.18 | -41.35, -49.9 | APE12-dist-in | 10.074 | APE11-dist-in | 11.8248 | APE10-dist-in | 6.1654 | APE9-dist-in | 3.5104 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.7 | 0.215 | 0.254 | CCC | 299.0 | 284.0 | 13 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8br5 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4e-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 | 8BR5DDD | Q9NWZ3 | 164 | 459 | 460.0 | R73:501 | Type1 | Inactive | DFGin | 6.9291 | 13.6331 | BLAminus | -135.77, 166.02 | 73.96, 87.25 | -114.76, 19.82 | 314.36, 95.52 | -65.27, -32.15 | in-out | in | 8.387 | Saltbr-out | 3.6821 | HRD-in | -64.82, -58.41 | 82.56, 3.65 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6458 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.87, 159.3 | APE9-dihe-na | 128.38, -172.65 | APE8-dihe-in | -115.23, 111.34 | APE8-rot-in | 311.38 | APE67-dihe-in | -63.77, -22.78 | -39.6, -50.55 | APE12-dist-in | 9.8784 | APE11-dist-in | 11.8965 | APE10-dist-in | 6.3607 | APE9-dist-in | 3.5306 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.7 | 0.215 | 0.254 | DDD | 299.0 | 285.0 | 11 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8br5 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4e-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 |
|---|