| 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 | 2OIDA | Q9NWZ3 | 164 | 458 | 460.0 | ANP:1 | ATPlike | Inactive | DFGin | 6.9661 | 14.6844 | BLAminus | -127.55, 175.38 | 65.24, 82.27 | -102.22, 23.11 | 306.08, 83.19 | -64.75, -29.47 | out-out | out | 11.8323 | Saltbr-out | 5.6903 | HRD-in | -73.12, -50.9 | 80.09, -6.55 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8231 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.88, 151.66 | APE9-dihe-na | 147.16, -164.5 | APE8-dihe-in | -113.74, 115.19 | APE8-rot-in | 308.34 | APE67-dihe-in | -64.44, -17.27 | -37.39, -54.71 | APE12-dist-in | 9.8258 | APE11-dist-in | 11.5381 | APE10-dist-in | 6.0721 | APE9-dist-in | 3.8073 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.3 | 0.244 | 0.295 | A | 301.0 | 266.0 | 29 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 2oid | 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 | 2OIDB | Q9NWZ3 | 164 | 459 | 460.0 | ANP:2 | ATPlike | Inactive | DFGin | 6.94 | 14.7103 | BLAminus | -122.34, 171.98 | 72.6, 82.12 | -104.43, 15.54 | 299.16, 90.11 | -59.64, -29.05 | in-out | in | 8.9076 | Saltbr-out | 3.9298 | HRD-in | -75.58, -47.6 | 78.52, -5.87 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7304 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.71, 158.05 | APE9-dihe-na | 142.8, -157.21 | APE8-dihe-in | -121.23, 117.8 | APE8-rot-in | 309.19 | APE67-dihe-in | -67.67, -11.87 | -44.28, -49.35 | APE12-dist-in | 10.1904 | APE11-dist-in | 11.7427 | APE10-dist-in | 6.5221 | APE9-dist-in | 3.7233 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.3 | 0.244 | 0.295 | B | 301.0 | 274.0 | 22 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 2oid | 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 | 2OIDC | Q9NWZ3 | 166 | 458 | 460.0 | ANP:3 | ATPlike | Inactive | DFGin | 6.806 | 13.9727 | BLAminus | -130.4, 175.52 | 61.07, 75.53 | -96.05, 32.37 | 309.84, 82.72 | -74.67, -28.22 | in-out | in | 8.9014 | Saltbr-out | 4.0238 | HRD-in | -62.6, -55.98 | 80.8, 1.53 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.032 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.92, 158.28 | APE9-dihe-na | 138.01, -176.06 | APE8-dihe-in | -106.21, 116.22 | APE8-rot-in | 304.08 | APE67-dihe-in | -63.21, -15.57 | -55.27, -41.4 | APE12-dist-in | 9.6871 | APE11-dist-in | 11.4204 | APE10-dist-in | 6.3612 | APE9-dist-in | 3.8779 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.3 | 0.244 | 0.295 | C | 301.0 | 259.0 | 34 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 2oid | 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 | 2OIDD | Q9NWZ3 | 164 | 459 | 460.0 | ANP:4 | ATPlike | Active | DFGin | 6.5602 | 13.9721 | BLAminus | -129.12, -177.03 | 59.13, 109.88 | -131.38, 17.54 | 304.54, 87.5 | -68.37, -4.63 | in-in | in | 8.1503 | Saltbr-in | 3.5198 | HRD-in | -75.54, -51.34 | 70.58, 2.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7649 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.72, 147.52 | APE9-dihe-na | 139.0, -173.6 | APE8-dihe-in | -107.1, 118.58 | APE8-rot-in | 309.04 | APE67-dihe-in | -62.68, -15.82 | -47.4, -49.91 | APE12-dist-in | 9.7501 | APE11-dist-in | 11.4404 | APE10-dist-in | 5.9279 | APE9-dist-in | 3.9698 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.3 | 0.244 | 0.295 | D | 301.0 | 277.0 | 19 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 2oid | 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 | 2OIDA | Q9NWZ3 | 164 | 458 | 460.0 | ANP:1 | ATPlike | Inactive | DFGin | 6.9661 | 14.6844 | BLAminus | -127.55, 175.38 | 65.24, 82.27 | -102.22, 23.11 | 306.08, 83.19 | -64.75, -29.47 | out-out | out | 11.8323 | Saltbr-out | 5.6903 | HRD-in | -73.12, -50.9 | 80.09, -6.55 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8231 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.88, 151.66 | APE9-dihe-na | 147.16, -164.5 | APE8-dihe-in | -113.74, 115.19 | APE8-rot-in | 308.34 | APE67-dihe-in | -64.44, -17.27 | -37.39, -54.71 | APE12-dist-in | 9.8258 | APE11-dist-in | 11.5381 | APE10-dist-in | 6.0721 | APE9-dist-in | 3.8073 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.3 | 0.244 | 0.295 | A | 301.0 | 266.0 | 29 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 2oid | 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 | 2OIDB | Q9NWZ3 | 164 | 459 | 460.0 | ANP:2 | ATPlike | Inactive | DFGin | 6.94 | 14.7103 | BLAminus | -122.34, 171.98 | 72.6, 82.12 | -104.43, 15.54 | 299.16, 90.11 | -59.64, -29.05 | in-out | in | 8.9076 | Saltbr-out | 3.9298 | HRD-in | -75.58, -47.6 | 78.52, -5.87 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7304 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.71, 158.05 | APE9-dihe-na | 142.8, -157.21 | APE8-dihe-in | -121.23, 117.8 | APE8-rot-in | 309.19 | APE67-dihe-in | -67.67, -11.87 | -44.28, -49.35 | APE12-dist-in | 10.1904 | APE11-dist-in | 11.7427 | APE10-dist-in | 6.5221 | APE9-dist-in | 3.7233 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.3 | 0.244 | 0.295 | B | 301.0 | 274.0 | 22 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 2oid | 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 | 2OIDC | Q9NWZ3 | 166 | 458 | 460.0 | ANP:3 | ATPlike | Inactive | DFGin | 6.806 | 13.9727 | BLAminus | -130.4, 175.52 | 61.07, 75.53 | -96.05, 32.37 | 309.84, 82.72 | -74.67, -28.22 | in-out | in | 8.9014 | Saltbr-out | 4.0238 | HRD-in | -62.6, -55.98 | 80.8, 1.53 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.032 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.92, 158.28 | APE9-dihe-na | 138.01, -176.06 | APE8-dihe-in | -106.21, 116.22 | APE8-rot-in | 304.08 | APE67-dihe-in | -63.21, -15.57 | -55.27, -41.4 | APE12-dist-in | 9.6871 | APE11-dist-in | 11.4204 | APE10-dist-in | 6.3612 | APE9-dist-in | 3.8779 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.3 | 0.244 | 0.295 | C | 301.0 | 259.0 | 34 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 2oid | 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 | 2OIDD | Q9NWZ3 | 164 | 459 | 460.0 | ANP:4 | ATPlike | Active | DFGin | 6.5602 | 13.9721 | BLAminus | -129.12, -177.03 | 59.13, 109.88 | -131.38, 17.54 | 304.54, 87.5 | -68.37, -4.63 | in-in | in | 8.1503 | Saltbr-in | 3.5198 | HRD-in | -75.54, -51.34 | 70.58, 2.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7649 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.72, 147.52 | APE9-dihe-na | 139.0, -173.6 | APE8-dihe-in | -107.1, 118.58 | APE8-rot-in | 309.04 | APE67-dihe-in | -62.68, -15.82 | -47.4, -49.91 | APE12-dist-in | 9.7501 | APE11-dist-in | 11.4404 | APE10-dist-in | 5.9279 | APE9-dist-in | 3.9698 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.3 | 0.244 | 0.295 | D | 301.0 | 277.0 | 19 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 2oid | 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 |
|---|