| 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 | 8W3WA | Q9NWZ3 | 162 | 460 | 460.0 | A1AFO:501 | Type1 | Active | DFGin | 6.8581 | 14.0412 | BLAminus | -128.73, 174.74 | 62.23, 85.48 | -101.5, 16.16 | 305.37, 100.31 | -63.72, -27.31 | in-in | in | 8.9043 | Saltbr-in | 3.2317 | HRD-in | -68.06, -48.89 | 74.72, -0.26 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8542 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.76, 159.98 | APE9-dihe-na | 131.71, -173.57 | APE8-dihe-in | -107.82, 112.48 | APE8-rot-in | 308.89 | APE67-dihe-in | -63.58, -17.69 | -42.9, -48.96 | APE12-dist-in | 10.1032 | APE11-dist-in | 11.7358 | APE10-dist-in | 6.3675 | APE9-dist-in | 3.8724 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.976 | 0.193 | 0.213 | A | 323.0 | 299.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 8w3w | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 8W3WB | Q9NWZ3 | 162 | 459 | 460.0 | A1AFO:501 | Type1 | Active | DFGin | 6.7872 | 14.0994 | BLAminus | -127.88, 176.03 | 61.89, 85.58 | -101.74, 15.62 | 305.04, 100.67 | -63.48, -27.05 | in-in | in | 8.8783 | Saltbr-in | 3.3871 | HRD-in | -68.38, -48.99 | 75.54, -0.65 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8671 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.98, 161.44 | APE9-dihe-na | 131.52, -174.84 | APE8-dihe-in | -106.58, 111.93 | APE8-rot-in | 306.6 | APE67-dihe-in | -64.29, -18.3 | -40.73, -48.94 | APE12-dist-in | 10.0498 | APE11-dist-in | 11.763 | APE10-dist-in | 6.369 | APE9-dist-in | 3.796 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.976 | 0.193 | 0.213 | B | 323.0 | 289.0 | 9 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8w3w | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 8W3WC | Q9NWZ3 | 164 | 459 | 460.0 | A1AFO:501 | Type1 | Active | DFGin | 6.9447 | 14.0277 | BLAminus | -131.5, 174.28 | 63.48, 84.98 | -101.2, 15.78 | 305.71, 101.49 | -64.51, -27.86 | in-in | in | 9.1267 | Saltbr-in | 3.4906 | HRD-in | -68.01, -49.84 | 76.05, -0.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8494 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.49, 159.76 | APE9-dihe-na | 131.52, -174.5 | APE8-dihe-in | -107.14, 112.54 | APE8-rot-in | 309.3 | APE67-dihe-in | -64.01, -18.26 | -41.84, -47.74 | APE12-dist-in | 10.0809 | APE11-dist-in | 11.8818 | APE10-dist-in | 6.4663 | APE9-dist-in | 3.8706 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.976 | 0.193 | 0.213 | C | 323.0 | 288.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8w3w | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 8W3WD | Q9NWZ3 | 164 | 459 | 460.0 | A1AFO:501 | Type1 | Active | DFGin | 6.892 | 13.9874 | BLAminus | -130.3, 174.83 | 63.6, 85.05 | -101.8, 16.17 | 305.68, 100.86 | -64.29, -27.61 | in-in | in | 8.9427 | Saltbr-in | 3.3493 | HRD-in | -68.44, -48.97 | 76.22, -0.96 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8502 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.54, 160.0 | APE9-dihe-na | 132.11, -172.93 | APE8-dihe-in | -108.54, 112.3 | APE8-rot-in | 308.85 | APE67-dihe-in | -64.64, -17.79 | -42.26, -47.29 | APE12-dist-in | 9.9975 | APE11-dist-in | 11.755 | APE10-dist-in | 6.4015 | APE9-dist-in | 3.9192 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.976 | 0.193 | 0.213 | D | 323.0 | 287.0 | 9 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8w3w | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 8W3WA | Q9NWZ3 | 162 | 460 | 460.0 | A1AFO:501 | Type1 | Active | DFGin | 6.8581 | 14.0412 | BLAminus | -128.73, 174.74 | 62.23, 85.48 | -101.5, 16.16 | 305.37, 100.31 | -63.72, -27.31 | in-in | in | 8.9043 | Saltbr-in | 3.2317 | HRD-in | -68.06, -48.89 | 74.72, -0.26 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8542 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.76, 159.98 | APE9-dihe-na | 131.71, -173.57 | APE8-dihe-in | -107.82, 112.48 | APE8-rot-in | 308.89 | APE67-dihe-in | -63.58, -17.69 | -42.9, -48.96 | APE12-dist-in | 10.1032 | APE11-dist-in | 11.7358 | APE10-dist-in | 6.3675 | APE9-dist-in | 3.8724 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.976 | 0.193 | 0.213 | A | 323.0 | 299.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 8w3w | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 8W3WB | Q9NWZ3 | 162 | 459 | 460.0 | A1AFO:501 | Type1 | Active | DFGin | 6.7872 | 14.0994 | BLAminus | -127.88, 176.03 | 61.89, 85.58 | -101.74, 15.62 | 305.04, 100.67 | -63.48, -27.05 | in-in | in | 8.8783 | Saltbr-in | 3.3871 | HRD-in | -68.38, -48.99 | 75.54, -0.65 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8671 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.98, 161.44 | APE9-dihe-na | 131.52, -174.84 | APE8-dihe-in | -106.58, 111.93 | APE8-rot-in | 306.6 | APE67-dihe-in | -64.29, -18.3 | -40.73, -48.94 | APE12-dist-in | 10.0498 | APE11-dist-in | 11.763 | APE10-dist-in | 6.369 | APE9-dist-in | 3.796 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.976 | 0.193 | 0.213 | B | 323.0 | 289.0 | 9 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8w3w | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 8W3WC | Q9NWZ3 | 164 | 459 | 460.0 | A1AFO:501 | Type1 | Active | DFGin | 6.9447 | 14.0277 | BLAminus | -131.5, 174.28 | 63.48, 84.98 | -101.2, 15.78 | 305.71, 101.49 | -64.51, -27.86 | in-in | in | 9.1267 | Saltbr-in | 3.4906 | HRD-in | -68.01, -49.84 | 76.05, -0.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8494 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.49, 159.76 | APE9-dihe-na | 131.52, -174.5 | APE8-dihe-in | -107.14, 112.54 | APE8-rot-in | 309.3 | APE67-dihe-in | -64.01, -18.26 | -41.84, -47.74 | APE12-dist-in | 10.0809 | APE11-dist-in | 11.8818 | APE10-dist-in | 6.4663 | APE9-dist-in | 3.8706 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.976 | 0.193 | 0.213 | C | 323.0 | 288.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8w3w | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 8W3WD | Q9NWZ3 | 164 | 459 | 460.0 | A1AFO:501 | Type1 | Active | DFGin | 6.892 | 13.9874 | BLAminus | -130.3, 174.83 | 63.6, 85.05 | -101.8, 16.17 | 305.68, 100.86 | -64.29, -27.61 | in-in | in | 8.9427 | Saltbr-in | 3.3493 | HRD-in | -68.44, -48.97 | 76.22, -0.96 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8502 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.54, 160.0 | APE9-dihe-na | 132.11, -172.93 | APE8-dihe-in | -108.54, 112.3 | APE8-rot-in | 308.85 | APE67-dihe-in | -64.64, -17.79 | -42.26, -47.29 | APE12-dist-in | 9.9975 | APE11-dist-in | 11.755 | APE10-dist-in | 6.4015 | APE9-dist-in | 3.9192 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.976 | 0.193 | 0.213 | D | 323.0 | 287.0 | 9 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8w3w | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 |
|---|