| 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 | 5W85A | Q9NWZ3 | 164 | 458 | 460.0 | 9YS:4000 | Type1 | Inactive | DFGin | 6.813 | 14.8006 | BLAminus | -119.69, 174.7 | 62.24, 92.17 | -111.46, 11.32 | 305.63, 96.72 | -63.25, -31.58 | in-out | in | 8.9015 | Saltbr-out | 6.0751 | HRD-in | -63.97, -52.63 | 78.83, -4.43 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.712 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.53, 155.64 | APE9-dihe-na | 132.02, -173.09 | APE8-dihe-in | -113.06, 114.4 | APE8-rot-in | 314.94 | APE67-dihe-in | -58.27, -22.42 | -43.08, -51.51 | APE12-dist-in | 10.7433 | APE11-dist-in | 11.6775 | APE10-dist-in | 6.2108 | APE9-dist-in | 3.7715 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.25 | 0.227 | 0.251 | A | 305.0 | 281.0 | 14 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 5w85 | TKL_IRAK4_HUMAN | TKL | 4.3e-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 | 5W85B | Q9NWZ3 | 164 | 459 | 460.0 | 9YS:4000 | Type1 | Inactive | DFGin | 6.7637 | 14.8223 | BLAminus | -118.77, 174.95 | 63.48, 91.76 | -111.27, 11.84 | 305.7, 96.65 | -62.41, -32.37 | in-out | in | 8.9394 | Saltbr-out | 6.4178 | HRD-in | -63.31, -52.79 | 78.17, -3.31 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.711 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.8, 156.56 | APE9-dihe-na | 131.61, -171.93 | APE8-dihe-in | -111.44, 113.82 | APE8-rot-in | 314.64 | APE67-dihe-in | -58.18, -22.16 | -43.05, -51.43 | APE12-dist-in | 10.6394 | APE11-dist-in | 11.7542 | APE10-dist-in | 6.2542 | APE9-dist-in | 3.7207 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.25 | 0.227 | 0.251 | B | 305.0 | 282.0 | 14 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 5w85 | TKL_IRAK4_HUMAN | TKL | 4.3e-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 | 5W85A | Q9NWZ3 | 164 | 458 | 460.0 | 9YS:4000 | Type1 | Inactive | DFGin | 6.813 | 14.8006 | BLAminus | -119.69, 174.7 | 62.24, 92.17 | -111.46, 11.32 | 305.63, 96.72 | -63.25, -31.58 | in-out | in | 8.9015 | Saltbr-out | 6.0751 | HRD-in | -63.97, -52.63 | 78.83, -4.43 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.712 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.53, 155.64 | APE9-dihe-na | 132.02, -173.09 | APE8-dihe-in | -113.06, 114.4 | APE8-rot-in | 314.94 | APE67-dihe-in | -58.27, -22.42 | -43.08, -51.51 | APE12-dist-in | 10.7433 | APE11-dist-in | 11.6775 | APE10-dist-in | 6.2108 | APE9-dist-in | 3.7715 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.25 | 0.227 | 0.251 | A | 305.0 | 281.0 | 14 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 5w85 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.3e-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 | 5W85B | Q9NWZ3 | 164 | 459 | 460.0 | 9YS:4000 | Type1 | Inactive | DFGin | 6.7637 | 14.8223 | BLAminus | -118.77, 174.95 | 63.48, 91.76 | -111.27, 11.84 | 305.7, 96.65 | -62.41, -32.37 | in-out | in | 8.9394 | Saltbr-out | 6.4178 | HRD-in | -63.31, -52.79 | 78.17, -3.31 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.711 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.8, 156.56 | APE9-dihe-na | 131.61, -171.93 | APE8-dihe-in | -111.44, 113.82 | APE8-rot-in | 314.64 | APE67-dihe-in | -58.18, -22.16 | -43.05, -51.43 | APE12-dist-in | 10.6394 | APE11-dist-in | 11.7542 | APE10-dist-in | 6.2542 | APE9-dist-in | 3.7207 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.25 | 0.227 | 0.251 | B | 305.0 | 282.0 | 14 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 5w85 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.3e-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 |
|---|