| 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 | 4Y73A | Q9NWZ3 | 163 | 459 | 460.0 | XPY:1000 | Type1 | Inactive | DFGin | 6.7939 | 13.8816 | BLAminus | -135.22, 179.14 | 58.81, 74.84 | -95.42, 16.11 | 309.59, 98.19 | -56.86, -31.3 | in-out | in | 8.6719 | Saltbr-out | 4.1966 | HRD-in | -65.11, -54.01 | 76.65, -4.03 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7411 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.98, 155.58 | APE9-dihe-na | 135.26, -172.46 | APE8-dihe-in | -110.18, 112.73 | APE8-rot-in | 310.78 | APE67-dihe-in | -61.03, -19.56 | -40.26, -54.06 | APE12-dist-in | 10.1174 | APE11-dist-in | 11.6957 | APE10-dist-in | 6.3615 | APE9-dist-in | 4.0109 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.14 | 0.196 | 0.217 | A | 302.0 | 292.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 4y73 | 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 | 4Y73B | Q9NWZ3 | 161 | 459 | 460.0 | XPY:1000 | Type1 | Inactive | DFGin | 6.9031 | 13.8994 | BLAminus | -134.53, 179.53 | 58.2, 75.65 | -95.32, 17.24 | 309.95, 97.89 | -59.17, -23.79 | in-out | in | 8.3394 | Saltbr-out | 3.7399 | HRD-in | -64.75, -51.42 | 74.08, -3.62 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8588 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.97, 155.19 | APE9-dihe-na | 135.01, -173.41 | APE8-dihe-in | -108.72, 112.77 | APE8-rot-in | 310.3 | APE67-dihe-in | -60.51, -19.8 | -41.06, -53.91 | APE12-dist-in | 10.1439 | APE11-dist-in | 11.7409 | APE10-dist-in | 6.3534 | APE9-dist-in | 3.9692 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.14 | 0.196 | 0.217 | B | 302.0 | 292.0 | 7 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 4y73 | 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 | 4Y73C | Q9NWZ3 | 164 | 460 | 460.0 | XPY:1000 | Type1 | Inactive | DFGin | 6.9893 | 13.7959 | BLAminus | -135.91, 178.91 | 60.18, 74.45 | -95.65, 17.31 | 309.71, 99.32 | -57.1, -32.23 | in-out | in | 8.4949 | Saltbr-out | 4.0135 | HRD-in | -67.33, -52.41 | 76.27, -4.09 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.752 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.79, 155.49 | APE9-dihe-na | 134.48, -173.93 | APE8-dihe-in | -109.04, 112.55 | APE8-rot-in | 310.08 | APE67-dihe-in | -60.39, -19.29 | -39.87, -53.77 | APE12-dist-in | 10.0164 | APE11-dist-in | 11.817 | APE10-dist-in | 6.4291 | APE9-dist-in | 3.9704 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.14 | 0.196 | 0.217 | C | 302.0 | 293.0 | 4 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4y73 | 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 | 4Y73D | Q9NWZ3 | 164 | 459 | 460.0 | XPY:1000 | Type1 | Active | DFGin | 6.9462 | 13.9421 | BLAminus | -134.48, 179.63 | 58.03, 76.69 | -96.29, 18.79 | 309.44, 97.62 | -57.19, -32.63 | in-in | in | 8.8874 | Saltbr-in | 3.1833 | HRD-in | -69.87, -49.37 | 75.0, -4.9 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7499 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.55, 154.63 | APE9-dihe-na | 135.98, -173.49 | APE8-dihe-in | -109.02, 111.96 | APE8-rot-in | 310.2 | APE67-dihe-in | -59.31, -19.91 | -40.37, -53.91 | APE12-dist-in | 10.0238 | APE11-dist-in | 11.7099 | APE10-dist-in | 6.3725 | APE9-dist-in | 4.0774 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.14 | 0.196 | 0.217 | D | 302.0 | 291.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 4y73 | 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 | 4Y73A | Q9NWZ3 | 163 | 459 | 460.0 | XPY:1000 | Type1 | Inactive | DFGin | 6.7939 | 13.8816 | BLAminus | -135.22, 179.14 | 58.81, 74.84 | -95.42, 16.11 | 309.59, 98.19 | -56.86, -31.3 | in-out | in | 8.6719 | Saltbr-out | 4.1966 | HRD-in | -65.11, -54.01 | 76.65, -4.03 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7411 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.98, 155.58 | APE9-dihe-na | 135.26, -172.46 | APE8-dihe-in | -110.18, 112.73 | APE8-rot-in | 310.78 | APE67-dihe-in | -61.03, -19.56 | -40.26, -54.06 | APE12-dist-in | 10.1174 | APE11-dist-in | 11.6957 | APE10-dist-in | 6.3615 | APE9-dist-in | 4.0109 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.14 | 0.196 | 0.217 | A | 302.0 | 292.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 4y73 | 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 | 4Y73B | Q9NWZ3 | 161 | 459 | 460.0 | XPY:1000 | Type1 | Inactive | DFGin | 6.9031 | 13.8994 | BLAminus | -134.53, 179.53 | 58.2, 75.65 | -95.32, 17.24 | 309.95, 97.89 | -59.17, -23.79 | in-out | in | 8.3394 | Saltbr-out | 3.7399 | HRD-in | -64.75, -51.42 | 74.08, -3.62 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8588 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.97, 155.19 | APE9-dihe-na | 135.01, -173.41 | APE8-dihe-in | -108.72, 112.77 | APE8-rot-in | 310.3 | APE67-dihe-in | -60.51, -19.8 | -41.06, -53.91 | APE12-dist-in | 10.1439 | APE11-dist-in | 11.7409 | APE10-dist-in | 6.3534 | APE9-dist-in | 3.9692 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.14 | 0.196 | 0.217 | B | 302.0 | 292.0 | 7 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 4y73 | 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 | 4Y73C | Q9NWZ3 | 164 | 460 | 460.0 | XPY:1000 | Type1 | Inactive | DFGin | 6.9893 | 13.7959 | BLAminus | -135.91, 178.91 | 60.18, 74.45 | -95.65, 17.31 | 309.71, 99.32 | -57.1, -32.23 | in-out | in | 8.4949 | Saltbr-out | 4.0135 | HRD-in | -67.33, -52.41 | 76.27, -4.09 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.752 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.79, 155.49 | APE9-dihe-na | 134.48, -173.93 | APE8-dihe-in | -109.04, 112.55 | APE8-rot-in | 310.08 | APE67-dihe-in | -60.39, -19.29 | -39.87, -53.77 | APE12-dist-in | 10.0164 | APE11-dist-in | 11.817 | APE10-dist-in | 6.4291 | APE9-dist-in | 3.9704 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.14 | 0.196 | 0.217 | C | 302.0 | 293.0 | 4 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4y73 | 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 | 4Y73D | Q9NWZ3 | 164 | 459 | 460.0 | XPY:1000 | Type1 | Active | DFGin | 6.9462 | 13.9421 | BLAminus | -134.48, 179.63 | 58.03, 76.69 | -96.29, 18.79 | 309.44, 97.62 | -57.19, -32.63 | in-in | in | 8.8874 | Saltbr-in | 3.1833 | HRD-in | -69.87, -49.37 | 75.0, -4.9 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7499 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.55, 154.63 | APE9-dihe-na | 135.98, -173.49 | APE8-dihe-in | -109.02, 111.96 | APE8-rot-in | 310.2 | APE67-dihe-in | -59.31, -19.91 | -40.37, -53.91 | APE12-dist-in | 10.0238 | APE11-dist-in | 11.7099 | APE10-dist-in | 6.3725 | APE9-dist-in | 4.0774 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.14 | 0.196 | 0.217 | D | 302.0 | 291.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 4y73 | 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 |
|---|