| 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 | 6EG9A | Q9NWZ3 | 164 | 459 | 460.0 | 0LI:501 | Type2 | Inactive | DFGout | 14.0712 | 10.7156 | None | -127.45, 167.3 | -138.69, 101.47 | -85.85, 140.23 | 309.7, 100.41 | -43.19, 999.0 | in-out | in | 9.0273 | Saltbr-out | 6.6465 | HRD-in | -71.51, -48.43 | 70.86, -5.67 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnni | APE10-dihe-na | 999.0, 6.91 | APE9-dihe-na | 158.59, -165.8 | APE8-dihe-in | -114.99, 116.82 | APE8-rot-in | 299.55 | APE67-dihe-in | -67.65, -20.43 | -63.19, -29.42 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-in | 3.972 | None | None | None | XRAY | 2.414 | 0.224 | 0.249 | A | 312.0 | 276.0 | 20 | 30 | 13 | 17 | [[183, 456]] | 1.0 | 6eg9 | TKL_IRAK4_HUMAN | TKL | 4.6e-84 | 288.0 | 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 | 6EG9B | Q9NWZ3 | 165 | 459 | 460.0 | 0LI:501 | Type2 | Inactive | DFGout | 14.2443 | 9.3953 | None | -135.81, 174.82 | -152.29, 126.78 | -163.75, 999.0 | 33.58, 60.29 | 999.0, 999.0 | in-in | in | 8.9787 | Saltbr-in | 3.0904 | HRD-in | -69.81, -51.27 | 77.39, -7.02 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnni | APE10-dihe-na | 999.0, 146.5 | APE9-dihe-na | 95.5, 175.38 | APE8-dihe-in | -117.78, 118.94 | APE8-rot-in | 307.93 | APE67-dihe-in | -67.02, -18.64 | -61.22, -30.24 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-in | 3.6297 | None | None | None | XRAY | 2.414 | 0.224 | 0.249 | B | 312.0 | 274.0 | 21 | 30 | 12 | 18 | [[183, 456]] | 1.0 | 6eg9 | TKL_IRAK4_HUMAN | TKL | 4.6e-84 | 288.0 | 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 | 6EG9A | Q9NWZ3 | 164 | 459 | 460.0 | 0LI:501 | Type2 | Inactive | DFGout | 14.0712 | 10.7156 | None | -127.45, 167.3 | -138.69, 101.47 | -85.85, 140.23 | 309.7, 100.41 | -43.19, 999.0 | in-out | in | 9.0273 | Saltbr-out | 6.6465 | HRD-in | -71.51, -48.43 | 70.86, -5.67 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnni | APE10-dihe-na | 999.0, 6.91 | APE9-dihe-na | 158.59, -165.8 | APE8-dihe-in | -114.99, 116.82 | APE8-rot-in | 299.55 | APE67-dihe-in | -67.65, -20.43 | -63.19, -29.42 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-in | 3.972 | None | None | None | XRAY | 2.414 | 0.224 | 0.249 | A | 312.0 | 276.0 | 20 | 30 | 13 | 17 | [[183, 456]] | 1.0 | 6eg9 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.6e-84 | 288.0 | 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 | 6EG9B | Q9NWZ3 | 165 | 459 | 460.0 | 0LI:501 | Type2 | Inactive | DFGout | 14.2443 | 9.3953 | None | -135.81, 174.82 | -152.29, 126.78 | -163.75, 999.0 | 33.58, 60.29 | 999.0, 999.0 | in-in | in | 8.9787 | Saltbr-in | 3.0904 | HRD-in | -69.81, -51.27 | 77.39, -7.02 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnni | APE10-dihe-na | 999.0, 146.5 | APE9-dihe-na | 95.5, 175.38 | APE8-dihe-in | -117.78, 118.94 | APE8-rot-in | 307.93 | APE67-dihe-in | -67.02, -18.64 | -61.22, -30.24 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-in | 3.6297 | None | None | None | XRAY | 2.414 | 0.224 | 0.249 | B | 312.0 | 274.0 | 21 | 30 | 12 | 18 | [[183, 456]] | 1.0 | 6eg9 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.6e-84 | 288.0 | 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 |
|---|