| 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 | 6F3IA | Q9NWZ3 | 165 | 458 | 460.0 | CKN:501 | Type1 | Inactive | DFGin | 7.0541 | 14.3219 | BLAminus | -123.52, -179.8 | 60.09, 89.16 | -112.89, 21.06 | 305.23, 95.52 | -66.66, -30.45 | in-out | in | 8.6589 | Saltbr-out | 8.1067 | HRD-in | -71.48, -51.41 | 77.44, -5.11 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7963 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.09, 147.59 | APE9-dihe-na | 131.67, -176.65 | APE8-dihe-in | -98.22, 114.27 | APE8-rot-in | 316.92 | APE67-dihe-in | -58.79, -21.5 | -51.79, -39.53 | APE12-dist-in | 10.2249 | APE11-dist-in | 12.0072 | APE10-dist-in | 6.5371 | APE9-dist-in | 4.3271 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.14 | 0.237 | 0.27 | A | 322.0 | 260.0 | 34 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6f3i | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 6F3IB | Q9NWZ3 | 164 | 458 | 460.0 | CKN:502 | Type1 | Inactive | DFGin | 7.0734 | 14.7278 | BLAminus | -124.14, 177.7 | 62.74, 84.47 | -108.24, 21.83 | 305.38, 94.82 | -65.48, -30.96 | in-out | in | 9.2285 | Saltbr-out | 6.0168 | HRD-in | -71.3, -51.64 | 77.0, -4.42 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8027 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.51, 147.67 | APE9-dihe-na | 131.82, -176.31 | APE8-dihe-in | -97.78, 113.9 | APE8-rot-in | 318.2 | APE67-dihe-in | -58.63, -21.1 | -51.98, -39.95 | APE12-dist-in | 10.2485 | APE11-dist-in | 11.8868 | APE10-dist-in | 6.4604 | APE9-dist-in | 4.3589 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.14 | 0.237 | 0.27 | B | 322.0 | 281.0 | 14 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6f3i | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 6F3IA | Q9NWZ3 | 165 | 458 | 460.0 | CKN:501 | Type1 | Inactive | DFGin | 7.0541 | 14.3219 | BLAminus | -123.52, -179.8 | 60.09, 89.16 | -112.89, 21.06 | 305.23, 95.52 | -66.66, -30.45 | in-out | in | 8.6589 | Saltbr-out | 8.1067 | HRD-in | -71.48, -51.41 | 77.44, -5.11 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7963 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.09, 147.59 | APE9-dihe-na | 131.67, -176.65 | APE8-dihe-in | -98.22, 114.27 | APE8-rot-in | 316.92 | APE67-dihe-in | -58.79, -21.5 | -51.79, -39.53 | APE12-dist-in | 10.2249 | APE11-dist-in | 12.0072 | APE10-dist-in | 6.5371 | APE9-dist-in | 4.3271 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.14 | 0.237 | 0.27 | A | 322.0 | 260.0 | 34 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6f3i | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 6F3IB | Q9NWZ3 | 164 | 458 | 460.0 | CKN:502 | Type1 | Inactive | DFGin | 7.0734 | 14.7278 | BLAminus | -124.14, 177.7 | 62.74, 84.47 | -108.24, 21.83 | 305.38, 94.82 | -65.48, -30.96 | in-out | in | 9.2285 | Saltbr-out | 6.0168 | HRD-in | -71.3, -51.64 | 77.0, -4.42 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8027 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.51, 147.67 | APE9-dihe-na | 131.82, -176.31 | APE8-dihe-in | -97.78, 113.9 | APE8-rot-in | 318.2 | APE67-dihe-in | -58.63, -21.1 | -51.98, -39.95 | APE12-dist-in | 10.2485 | APE11-dist-in | 11.8868 | APE10-dist-in | 6.4604 | APE9-dist-in | 4.3589 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.14 | 0.237 | 0.27 | B | 322.0 | 281.0 | 14 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6f3i | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-84 | 287.9 | 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 |
|---|