| 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 | 8DKSA | Q9NWZ3 | 165 | 459 | 460.0 | SO9:501 | Type1 | Inactive | DFGin | 6.9825 | 14.0197 | BLAminus | -134.64, 178.03 | 63.45, 86.35 | -110.27, 29.73 | 310.97, 98.17 | -70.79, -35.85 | in-out | in | 8.2912 | Saltbr-out | 4.4467 | HRD-in | -75.38, -48.79 | 72.8, 5.5 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9065 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -143.77, 162.36 | APE9-dihe-na | 128.07, -167.6 | APE8-dihe-in | -119.72, 111.55 | APE8-rot-in | 307.86 | APE67-dihe-in | -64.51, -15.13 | -57.7, -32.23 | APE12-dist-in | 9.8577 | APE11-dist-in | 11.5245 | APE10-dist-in | 6.2214 | APE9-dist-in | 3.6652 | None | SEP346 | SEP346 | XRAY | 2.45 | 0.215 | 0.267 | A | 460.0 | 283.0 | 12 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 8dks | TKL_IRAK4_HUMAN | TKL | 1.6e-83 | 286.6 | 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 | 8DKSB | Q9NWZ3 | 164 | 459 | 460.0 | SO9:501 | Type1 | Inactive | DFGin | 7.0195 | 14.2623 | BLAminus | -133.36, 172.32 | 69.94, 86.94 | -110.0, 21.28 | 306.52, 104.01 | -69.01, -36.15 | in-out | in | 8.4475 | Saltbr-out | 4.2848 | HRD-in | -74.58, -51.41 | 77.38, 3.56 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6651 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.18, 157.32 | APE9-dihe-na | 125.46, -172.72 | APE8-dihe-in | -116.19, 115.21 | APE8-rot-in | 297.6 | APE67-dihe-in | -69.09, -18.07 | -48.21, -41.4 | APE12-dist-in | 10.1058 | APE11-dist-in | 11.7004 | APE10-dist-in | 6.2871 | APE9-dist-in | 3.8575 | None | SEP346 | SEP346 | XRAY | 2.45 | 0.215 | 0.267 | B | 460.0 | 278.0 | 18 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8dks | TKL_IRAK4_HUMAN | TKL | 1.6e-83 | 286.6 | 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 | 8DKSA | Q9NWZ3 | 165 | 459 | 460.0 | SO9:501 | Type1 | Inactive | DFGin | 6.9825 | 14.0197 | BLAminus | -134.64, 178.03 | 63.45, 86.35 | -110.27, 29.73 | 310.97, 98.17 | -70.79, -35.85 | in-out | in | 8.2912 | Saltbr-out | 4.4467 | HRD-in | -75.38, -48.79 | 72.8, 5.5 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9065 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -143.77, 162.36 | APE9-dihe-na | 128.07, -167.6 | APE8-dihe-in | -119.72, 111.55 | APE8-rot-in | 307.86 | APE67-dihe-in | -64.51, -15.13 | -57.7, -32.23 | APE12-dist-in | 9.8577 | APE11-dist-in | 11.5245 | APE10-dist-in | 6.2214 | APE9-dist-in | 3.6652 | None | SEP346 | SEP346 | XRAY | 2.45 | 0.215 | 0.267 | A | 460.0 | 283.0 | 12 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 8dks | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 1.6e-83 | 286.6 | 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 | 8DKSB | Q9NWZ3 | 164 | 459 | 460.0 | SO9:501 | Type1 | Inactive | DFGin | 7.0195 | 14.2623 | BLAminus | -133.36, 172.32 | 69.94, 86.94 | -110.0, 21.28 | 306.52, 104.01 | -69.01, -36.15 | in-out | in | 8.4475 | Saltbr-out | 4.2848 | HRD-in | -74.58, -51.41 | 77.38, 3.56 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6651 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.18, 157.32 | APE9-dihe-na | 125.46, -172.72 | APE8-dihe-in | -116.19, 115.21 | APE8-rot-in | 297.6 | APE67-dihe-in | -69.09, -18.07 | -48.21, -41.4 | APE12-dist-in | 10.1058 | APE11-dist-in | 11.7004 | APE10-dist-in | 6.2871 | APE9-dist-in | 3.8575 | None | SEP346 | SEP346 | XRAY | 2.45 | 0.215 | 0.267 | B | 460.0 | 278.0 | 18 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8dks | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 1.6e-83 | 286.6 | 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 |
|---|