| 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 | 6UYAA | Q9NWZ3 | 163 | 458 | 460.0 | QL7:501 | Type1 | Inactive | DFGin | 6.9118 | 14.0613 | BLAminus | -130.83, 174.58 | 66.33, 88.53 | -109.61, 11.93 | 305.77, 104.97 | -60.29, -30.37 | in-out | in | 8.9208 | Saltbr-out | 5.3891 | HRD-in | -66.32, -52.06 | 75.53, -1.71 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7571 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.77, 155.18 | APE9-dihe-na | 131.38, -176.71 | APE8-dihe-in | -108.73, 111.35 | APE8-rot-in | 311.67 | APE67-dihe-in | -54.65, -22.72 | -39.48, -51.06 | APE12-dist-in | 10.4706 | APE11-dist-in | 12.0745 | APE10-dist-in | 6.6655 | APE9-dist-in | 4.1482 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.74 | 0.182 | 0.207 | A | 320.0 | 288.0 | 8 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6uya | TKL_IRAK4_HUMAN | TKL | 5.1e-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 | 6UYAB | Q9NWZ3 | 165 | 458 | 460.0 | QL7:502 | Type1 | Inactive | DFGin | 6.893 | 13.9843 | BLAminus | -128.71, 175.35 | 66.38, 92.59 | -112.91, 7.52 | 303.04, 106.99 | -58.83, -29.06 | in-out | in | 9.0 | Saltbr-out | 5.0833 | HRD-in | -69.36, -50.91 | 73.85, 5.13 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8239 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.22, 142.0 | APE9-dihe-na | 152.09, 178.07 | APE8-dihe-in | -98.25, 109.05 | APE8-rot-in | 300.26 | APE67-dihe-in | -55.26, -18.41 | -44.33, -48.88 | APE12-dist-in | 10.1551 | APE11-dist-in | 11.9953 | APE10-dist-in | 7.2576 | APE9-dist-in | 5.0479 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.74 | 0.182 | 0.207 | B | 320.0 | 290.0 | 4 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6uya | TKL_IRAK4_HUMAN | TKL | 5.1e-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 | 6UYAC | Q9NWZ3 | 162 | 458 | 460.0 | QL7:501 | Type1 | Active | DFGin | 6.469 | 14.031 | BLAminus | -122.12, 175.34 | 66.82, 92.98 | -113.93, 10.94 | 305.64, 93.58 | -60.94, -31.46 | in-in | in | 8.6103 | Saltbr-in | 3.4686 | HRD-in | -67.21, -51.18 | 74.76, -5.57 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7611 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.27, 154.57 | APE9-dihe-na | 136.39, -174.77 | APE8-dihe-in | -105.71, 113.39 | APE8-rot-in | 307.95 | APE67-dihe-in | -62.18, -16.27 | -43.76, -50.15 | APE12-dist-in | 9.8803 | APE11-dist-in | 12.0547 | APE10-dist-in | 6.6597 | APE9-dist-in | 4.1698 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.74 | 0.182 | 0.207 | C | 320.0 | 278.0 | 19 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6uya | TKL_IRAK4_HUMAN | TKL | 5.1e-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 | 6UYAD | Q9NWZ3 | 162 | 458 | 460.0 | QL7:501 | Type1 | Inactive | DFGin | 6.8191 | 13.7579 | BLAminus | -128.37, 176.07 | 66.47, 90.2 | -111.03, 7.65 | 306.44, 101.65 | -54.58, -29.97 | in-out | in | 8.9183 | Saltbr-out | 4.6606 | HRD-in | -66.75, -50.48 | 73.09, -0.55 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8044 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.42, 146.21 | APE9-dihe-na | 142.04, -178.31 | APE8-dihe-in | -100.42, 112.16 | APE8-rot-in | 302.67 | APE67-dihe-in | -61.72, -16.37 | -57.08, -31.92 | APE12-dist-in | 10.0883 | APE11-dist-in | 11.9674 | APE10-dist-in | 6.9354 | APE9-dist-in | 4.7438 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.74 | 0.182 | 0.207 | D | 320.0 | 291.0 | 6 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6uya | TKL_IRAK4_HUMAN | TKL | 5.1e-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 | 6UYAA | Q9NWZ3 | 163 | 458 | 460.0 | QL7:501 | Type1 | Inactive | DFGin | 6.9118 | 14.0613 | BLAminus | -130.83, 174.58 | 66.33, 88.53 | -109.61, 11.93 | 305.77, 104.97 | -60.29, -30.37 | in-out | in | 8.9208 | Saltbr-out | 5.3891 | HRD-in | -66.32, -52.06 | 75.53, -1.71 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7571 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.77, 155.18 | APE9-dihe-na | 131.38, -176.71 | APE8-dihe-in | -108.73, 111.35 | APE8-rot-in | 311.67 | APE67-dihe-in | -54.65, -22.72 | -39.48, -51.06 | APE12-dist-in | 10.4706 | APE11-dist-in | 12.0745 | APE10-dist-in | 6.6655 | APE9-dist-in | 4.1482 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.74 | 0.182 | 0.207 | A | 320.0 | 288.0 | 8 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6uya | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-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 | 6UYAB | Q9NWZ3 | 165 | 458 | 460.0 | QL7:502 | Type1 | Inactive | DFGin | 6.893 | 13.9843 | BLAminus | -128.71, 175.35 | 66.38, 92.59 | -112.91, 7.52 | 303.04, 106.99 | -58.83, -29.06 | in-out | in | 9.0 | Saltbr-out | 5.0833 | HRD-in | -69.36, -50.91 | 73.85, 5.13 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8239 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.22, 142.0 | APE9-dihe-na | 152.09, 178.07 | APE8-dihe-in | -98.25, 109.05 | APE8-rot-in | 300.26 | APE67-dihe-in | -55.26, -18.41 | -44.33, -48.88 | APE12-dist-in | 10.1551 | APE11-dist-in | 11.9953 | APE10-dist-in | 7.2576 | APE9-dist-in | 5.0479 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.74 | 0.182 | 0.207 | B | 320.0 | 290.0 | 4 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6uya | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-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 | 6UYAC | Q9NWZ3 | 162 | 458 | 460.0 | QL7:501 | Type1 | Active | DFGin | 6.469 | 14.031 | BLAminus | -122.12, 175.34 | 66.82, 92.98 | -113.93, 10.94 | 305.64, 93.58 | -60.94, -31.46 | in-in | in | 8.6103 | Saltbr-in | 3.4686 | HRD-in | -67.21, -51.18 | 74.76, -5.57 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7611 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.27, 154.57 | APE9-dihe-na | 136.39, -174.77 | APE8-dihe-in | -105.71, 113.39 | APE8-rot-in | 307.95 | APE67-dihe-in | -62.18, -16.27 | -43.76, -50.15 | APE12-dist-in | 9.8803 | APE11-dist-in | 12.0547 | APE10-dist-in | 6.6597 | APE9-dist-in | 4.1698 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.74 | 0.182 | 0.207 | C | 320.0 | 278.0 | 19 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6uya | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-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 | 6UYAD | Q9NWZ3 | 162 | 458 | 460.0 | QL7:501 | Type1 | Inactive | DFGin | 6.8191 | 13.7579 | BLAminus | -128.37, 176.07 | 66.47, 90.2 | -111.03, 7.65 | 306.44, 101.65 | -54.58, -29.97 | in-out | in | 8.9183 | Saltbr-out | 4.6606 | HRD-in | -66.75, -50.48 | 73.09, -0.55 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8044 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.42, 146.21 | APE9-dihe-na | 142.04, -178.31 | APE8-dihe-in | -100.42, 112.16 | APE8-rot-in | 302.67 | APE67-dihe-in | -61.72, -16.37 | -57.08, -31.92 | APE12-dist-in | 10.0883 | APE11-dist-in | 11.9674 | APE10-dist-in | 6.9354 | APE9-dist-in | 4.7438 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.74 | 0.182 | 0.207 | D | 320.0 | 291.0 | 6 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6uya | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-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 |
|---|