| 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 | 4ZTNA | Q9NWZ3 | 163 | 459 | 460.0 | 4S3:501 | Type1 | Inactive | DFGin | 6.9122 | 13.7481 | BLAminus | -132.76, 175.45 | 64.22, 82.16 | -105.35, 20.86 | 308.35, 101.07 | -66.05, -41.88 | in-out | in | 8.6944 | Saltbr-out | 3.9124 | HRD-in | -63.92, -51.66 | 76.82, -0.35 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7616 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.06, 158.04 | APE9-dihe-na | 129.58, -170.0 | APE8-dihe-in | -113.45, 112.1 | APE8-rot-in | 310.07 | APE67-dihe-in | -62.7, -20.05 | -38.09, -52.45 | APE12-dist-in | 9.814 | APE11-dist-in | 11.7179 | APE10-dist-in | 6.2346 | APE9-dist-in | 3.8197 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.23 | 0.21 | 0.224 | A | 301.0 | 289.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4ztn | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 4ZTNB | Q9NWZ3 | 161 | 459 | 460.0 | 4S3:501 | Type1 | Active | DFGin | 7.1545 | 13.7575 | BLAminus | -131.99, 175.82 | 63.87, 82.48 | -105.73, 21.47 | 308.39, 101.43 | -66.39, -41.59 | in-in | in | 8.5507 | Saltbr-in | 3.2983 | HRD-in | -64.32, -51.43 | 76.6, -0.44 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7675 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.02, 158.22 | APE9-dihe-na | 130.01, -170.09 | APE8-dihe-in | -112.61, 111.91 | APE8-rot-in | 309.6 | APE67-dihe-in | -62.86, -20.33 | -37.78, -52.13 | APE12-dist-in | 9.8586 | APE11-dist-in | 11.7313 | APE10-dist-in | 6.2358 | APE9-dist-in | 3.8196 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.23 | 0.21 | 0.224 | B | 301.0 | 285.0 | 14 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4ztn | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 4ZTNC | Q9NWZ3 | 164 | 460 | 460.0 | 4S3:501 | Type1 | Inactive | DFGin | 6.9885 | 13.9156 | BLAminus | -131.78, 175.79 | 64.01, 82.42 | -105.46, 21.38 | 307.95, 100.83 | -65.91, -41.86 | in-out | in | 8.7626 | Saltbr-out | 5.2416 | HRD-in | -64.24, -51.41 | 76.71, -0.47 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7669 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.03, 158.37 | APE9-dihe-na | 130.24, -169.83 | APE8-dihe-in | -112.97, 111.72 | APE8-rot-in | 309.39 | APE67-dihe-in | -62.29, -20.6 | -37.85, -52.05 | APE12-dist-in | 9.8427 | APE11-dist-in | 11.7416 | APE10-dist-in | 6.2439 | APE9-dist-in | 3.8114 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.23 | 0.21 | 0.224 | C | 301.0 | 287.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 4ztn | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 4ZTND | Q9NWZ3 | 164 | 459 | 460.0 | 4S3:501 | Type1 | Inactive | DFGin | 6.9666 | 13.8616 | BLAminus | -131.47, 175.86 | 63.89, 82.53 | -105.44, 21.0 | 308.32, 101.14 | -65.65, -42.51 | in-out | in | 8.5619 | Saltbr-out | 4.5879 | HRD-in | -64.48, -51.67 | 77.17, -0.49 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7672 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.0, 157.79 | APE9-dihe-na | 130.37, -169.74 | APE8-dihe-in | -112.98, 111.75 | APE8-rot-in | 309.39 | APE67-dihe-in | -62.26, -20.04 | -38.34, -52.0 | APE12-dist-in | 9.8419 | APE11-dist-in | 11.7142 | APE10-dist-in | 6.2313 | APE9-dist-in | 3.8469 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.23 | 0.21 | 0.224 | D | 301.0 | 288.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4ztn | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 4ZTNA | Q9NWZ3 | 163 | 459 | 460.0 | 4S3:501 | Type1 | Inactive | DFGin | 6.9122 | 13.7481 | BLAminus | -132.76, 175.45 | 64.22, 82.16 | -105.35, 20.86 | 308.35, 101.07 | -66.05, -41.88 | in-out | in | 8.6944 | Saltbr-out | 3.9124 | HRD-in | -63.92, -51.66 | 76.82, -0.35 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7616 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.06, 158.04 | APE9-dihe-na | 129.58, -170.0 | APE8-dihe-in | -113.45, 112.1 | APE8-rot-in | 310.07 | APE67-dihe-in | -62.7, -20.05 | -38.09, -52.45 | APE12-dist-in | 9.814 | APE11-dist-in | 11.7179 | APE10-dist-in | 6.2346 | APE9-dist-in | 3.8197 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.23 | 0.21 | 0.224 | A | 301.0 | 289.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4ztn | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 4ZTNB | Q9NWZ3 | 161 | 459 | 460.0 | 4S3:501 | Type1 | Active | DFGin | 7.1545 | 13.7575 | BLAminus | -131.99, 175.82 | 63.87, 82.48 | -105.73, 21.47 | 308.39, 101.43 | -66.39, -41.59 | in-in | in | 8.5507 | Saltbr-in | 3.2983 | HRD-in | -64.32, -51.43 | 76.6, -0.44 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7675 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.02, 158.22 | APE9-dihe-na | 130.01, -170.09 | APE8-dihe-in | -112.61, 111.91 | APE8-rot-in | 309.6 | APE67-dihe-in | -62.86, -20.33 | -37.78, -52.13 | APE12-dist-in | 9.8586 | APE11-dist-in | 11.7313 | APE10-dist-in | 6.2358 | APE9-dist-in | 3.8196 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.23 | 0.21 | 0.224 | B | 301.0 | 285.0 | 14 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4ztn | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 4ZTNC | Q9NWZ3 | 164 | 460 | 460.0 | 4S3:501 | Type1 | Inactive | DFGin | 6.9885 | 13.9156 | BLAminus | -131.78, 175.79 | 64.01, 82.42 | -105.46, 21.38 | 307.95, 100.83 | -65.91, -41.86 | in-out | in | 8.7626 | Saltbr-out | 5.2416 | HRD-in | -64.24, -51.41 | 76.71, -0.47 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7669 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.03, 158.37 | APE9-dihe-na | 130.24, -169.83 | APE8-dihe-in | -112.97, 111.72 | APE8-rot-in | 309.39 | APE67-dihe-in | -62.29, -20.6 | -37.85, -52.05 | APE12-dist-in | 9.8427 | APE11-dist-in | 11.7416 | APE10-dist-in | 6.2439 | APE9-dist-in | 3.8114 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.23 | 0.21 | 0.224 | C | 301.0 | 287.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 4ztn | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 4ZTND | Q9NWZ3 | 164 | 459 | 460.0 | 4S3:501 | Type1 | Inactive | DFGin | 6.9666 | 13.8616 | BLAminus | -131.47, 175.86 | 63.89, 82.53 | -105.44, 21.0 | 308.32, 101.14 | -65.65, -42.51 | in-out | in | 8.5619 | Saltbr-out | 4.5879 | HRD-in | -64.48, -51.67 | 77.17, -0.49 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7672 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.0, 157.79 | APE9-dihe-na | 130.37, -169.74 | APE8-dihe-in | -112.98, 111.75 | APE8-rot-in | 309.39 | APE67-dihe-in | -62.26, -20.04 | -38.34, -52.0 | APE12-dist-in | 9.8419 | APE11-dist-in | 11.7142 | APE10-dist-in | 6.2313 | APE9-dist-in | 3.8469 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.23 | 0.21 | 0.224 | D | 301.0 | 288.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4ztn | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-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 |
|---|