| 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 | 8UCCA | Q9NWZ3 | 160 | 459 | 460.0 | WFQ:501 | Type1 | Inactive | DFGin | 7.0259 | 14.6998 | BLAminus | -131.7, 179.12 | 66.11, 75.99 | -100.65, 16.62 | 301.91, 97.83 | -63.53, -20.26 | in-out | in | 9.3909 | Saltbr-out | 5.6136 | HRD-in | -75.53, -47.51 | 77.1, -4.78 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6824 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.27, 158.69 | APE9-dihe-na | 128.46, -168.51 | APE8-dihe-in | -116.14, 113.09 | APE8-rot-in | 308.41 | APE67-dihe-in | -66.69, -15.41 | -48.67, -44.93 | APE12-dist-in | 10.0268 | APE11-dist-in | 11.9409 | APE10-dist-in | 6.614 | APE9-dist-in | 4.0809 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.8 | 0.21 | 0.24 | A | 307.0 | 295.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8ucc | 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 | 8UCCB | Q9NWZ3 | 164 | 458 | 460.0 | WFQ:501 | Type1 | Inactive | DFGin | 6.8793 | 13.8721 | BLAminus | -129.51, 162.92 | 70.33, 79.94 | -104.55, 23.09 | 318.21, 95.61 | -62.87, -26.0 | in-out | in | 8.7684 | Saltbr-out | 6.0166 | HRD-in | -75.0, -48.09 | 77.72, -4.06 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7395 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.42, 156.86 | APE9-dihe-na | 134.29, 179.4 | APE8-dihe-in | -111.9, 115.53 | APE8-rot-in | 300.81 | APE67-dihe-in | -63.49, -15.46 | -50.92, -46.75 | APE12-dist-in | 9.9358 | APE11-dist-in | 11.9321 | APE10-dist-in | 6.4043 | APE9-dist-in | 3.8041 | None | TPO345 | TPO345 | XRAY | 1.8 | 0.21 | 0.24 | B | 307.0 | 286.0 | 9 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8ucc | 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 | 8UCCA | Q9NWZ3 | 160 | 459 | 460.0 | WFQ:501 | Type1 | Inactive | DFGin | 7.0259 | 14.6998 | BLAminus | -131.7, 179.12 | 66.11, 75.99 | -100.65, 16.62 | 301.91, 97.83 | -63.53, -20.26 | in-out | in | 9.3909 | Saltbr-out | 5.6136 | HRD-in | -75.53, -47.51 | 77.1, -4.78 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6824 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.27, 158.69 | APE9-dihe-na | 128.46, -168.51 | APE8-dihe-in | -116.14, 113.09 | APE8-rot-in | 308.41 | APE67-dihe-in | -66.69, -15.41 | -48.67, -44.93 | APE12-dist-in | 10.0268 | APE11-dist-in | 11.9409 | APE10-dist-in | 6.614 | APE9-dist-in | 4.0809 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.8 | 0.21 | 0.24 | A | 307.0 | 295.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8ucc | 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 | 8UCCB | Q9NWZ3 | 164 | 458 | 460.0 | WFQ:501 | Type1 | Inactive | DFGin | 6.8793 | 13.8721 | BLAminus | -129.51, 162.92 | 70.33, 79.94 | -104.55, 23.09 | 318.21, 95.61 | -62.87, -26.0 | in-out | in | 8.7684 | Saltbr-out | 6.0166 | HRD-in | -75.0, -48.09 | 77.72, -4.06 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7395 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.42, 156.86 | APE9-dihe-na | 134.29, 179.4 | APE8-dihe-in | -111.9, 115.53 | APE8-rot-in | 300.81 | APE67-dihe-in | -63.49, -15.46 | -50.92, -46.75 | APE12-dist-in | 9.9358 | APE11-dist-in | 11.9321 | APE10-dist-in | 6.4043 | APE9-dist-in | 3.8041 | None | TPO345 | TPO345 | XRAY | 1.8 | 0.21 | 0.24 | B | 307.0 | 286.0 | 9 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8ucc | 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 |
|---|