| 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 | 8TX0A | Q9NWZ3 | 164 | 459 | 460.0 | VEU:501 | Type1 | Inactive | DFGin | 6.7893 | 13.9204 | BLAminus | -129.73, 176.59 | 65.6, 77.23 | -99.3, 19.02 | 315.24, 98.72 | -60.81, -34.53 | in-out | in | 8.826 | Saltbr-out | 5.8696 | HRD-in | -69.7, -48.85 | 75.81, -2.36 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6468 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.63, 157.0 | APE9-dihe-na | 131.18, -179.13 | APE8-dihe-in | -106.66, 116.14 | APE8-rot-in | 293.2 | APE67-dihe-in | -65.42, -13.38 | -58.15, -40.41 | APE12-dist-in | 9.8637 | APE11-dist-in | 11.8077 | APE10-dist-in | 6.5529 | APE9-dist-in | 4.2168 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.208 | 0.238 | A | 307.0 | 286.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8tx0 | TKL_IRAK4_HUMAN | TKL | 4.4e-84 | 288.1 | 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 | 8TX0B | Q9NWZ3 | 164 | 459 | 460.0 | VEU:501 | Type1 | Inactive | DFGin | 6.8379 | 14.2966 | BLAminus | -129.72, 178.54 | 65.66, 76.17 | -98.39, 13.53 | 305.13, 94.22 | -63.2, -26.14 | in-out | in | 9.2869 | Saltbr-out | 4.5523 | HRD-in | -70.22, -48.33 | 73.47, 0.05 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7242 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.02, 152.76 | APE9-dihe-na | 138.77, -175.43 | APE8-dihe-in | -104.24, 111.09 | APE8-rot-in | 310.05 | APE67-dihe-in | -64.51, -18.26 | -47.53, -45.01 | APE12-dist-in | 9.9994 | APE11-dist-in | 12.0054 | APE10-dist-in | 7.0902 | APE9-dist-in | 4.8138 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.208 | 0.238 | B | 307.0 | 292.0 | 4 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8tx0 | TKL_IRAK4_HUMAN | TKL | 4.4e-84 | 288.1 | 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 | 8TX0A | Q9NWZ3 | 164 | 459 | 460.0 | VEU:501 | Type1 | Inactive | DFGin | 6.7893 | 13.9204 | BLAminus | -129.73, 176.59 | 65.6, 77.23 | -99.3, 19.02 | 315.24, 98.72 | -60.81, -34.53 | in-out | in | 8.826 | Saltbr-out | 5.8696 | HRD-in | -69.7, -48.85 | 75.81, -2.36 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6468 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.63, 157.0 | APE9-dihe-na | 131.18, -179.13 | APE8-dihe-in | -106.66, 116.14 | APE8-rot-in | 293.2 | APE67-dihe-in | -65.42, -13.38 | -58.15, -40.41 | APE12-dist-in | 9.8637 | APE11-dist-in | 11.8077 | APE10-dist-in | 6.5529 | APE9-dist-in | 4.2168 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.208 | 0.238 | A | 307.0 | 286.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8tx0 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-84 | 288.1 | 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 | 8TX0B | Q9NWZ3 | 164 | 459 | 460.0 | VEU:501 | Type1 | Inactive | DFGin | 6.8379 | 14.2966 | BLAminus | -129.72, 178.54 | 65.66, 76.17 | -98.39, 13.53 | 305.13, 94.22 | -63.2, -26.14 | in-out | in | 9.2869 | Saltbr-out | 4.5523 | HRD-in | -70.22, -48.33 | 73.47, 0.05 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7242 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.02, 152.76 | APE9-dihe-na | 138.77, -175.43 | APE8-dihe-in | -104.24, 111.09 | APE8-rot-in | 310.05 | APE67-dihe-in | -64.51, -18.26 | -47.53, -45.01 | APE12-dist-in | 9.9994 | APE11-dist-in | 12.0054 | APE10-dist-in | 7.0902 | APE9-dist-in | 4.8138 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.208 | 0.238 | B | 307.0 | 292.0 | 4 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8tx0 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-84 | 288.1 | 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 |
|---|