| 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 | 6LXYA | Q9NWZ3 | 163 | 458 | 460.0 | EXF:501 | Type1 | Inactive | DFGin | 6.9967 | 14.0491 | BLAminus | -130.85, 177.02 | 62.25, 85.69 | -105.57, 13.21 | 307.3, 97.03 | -58.17, -30.36 | in-out | in | 8.9293 | Saltbr-out | 5.3622 | HRD-in | -67.47, -54.1 | 77.02, 0.48 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8192 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.95, 147.66 | APE9-dihe-na | 135.07, -175.38 | APE8-dihe-in | -106.14, 112.07 | APE8-rot-in | 312.29 | APE67-dihe-in | -59.29, -20.88 | -52.35, -43.4 | APE12-dist-in | 10.1915 | APE11-dist-in | 11.7043 | APE10-dist-in | 6.4389 | APE9-dist-in | 4.3573 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.19 | 0.202 | 0.231 | A | 305.0 | 294.0 | 2 | 30 | 28 | 2 | [[183, 456]] | 1.0 | 6lxy | 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 | 6LXYB | Q9NWZ3 | 163 | 459 | 460.0 | EXF:502 | Type1 | None | DFGin | 6.9731 | 14.1366 | BLAminus | -129.45, 177.84 | 61.74, 86.54 | -106.07, 12.43 | 306.08, 97.48 | -57.61, -29.04 | in-none | in | 9.0982 | Saltbr-none | 999.0 | HRD-in | -68.65, -53.21 | 75.68, 1.0 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.8068 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.47, 149.33 | APE9-dihe-na | 135.3, -175.41 | APE8-dihe-in | -105.49, 112.4 | APE8-rot-in | 312.11 | APE67-dihe-in | -59.55, -21.17 | -51.5, -42.55 | APE12-dist-in | 10.1894 | APE11-dist-in | 11.6864 | APE10-dist-in | 6.444 | APE9-dist-in | 4.3325 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.19 | 0.202 | 0.231 | B | 305.0 | 297.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 6lxy | 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 | 6LXYD | Q9NWZ3 | 162 | 459 | 460.0 | EXF:502 | Type1 | Inactive | DFGin | 7.0024 | 14.1156 | BLAminus | -130.62, 177.55 | 62.4, 85.91 | -106.35, 12.8 | 307.19, 98.16 | -58.64, -30.18 | in-out | in | 8.9428 | Saltbr-out | 5.3537 | HRD-in | -67.38, -53.42 | 77.14, -1.48 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7863 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.01, 149.8 | APE9-dihe-na | 134.89, -175.28 | APE8-dihe-in | -104.95, 111.45 | APE8-rot-in | 311.34 | APE67-dihe-in | -58.57, -21.72 | -44.58, -48.25 | APE12-dist-in | 10.314 | APE11-dist-in | 11.9545 | APE10-dist-in | 6.613 | APE9-dist-in | 4.2536 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.19 | 0.202 | 0.231 | D | 305.0 | 293.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6lxy | 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 | 6LXYE | Q9NWZ3 | 164 | 458 | 460.0 | EXF:502 | Type1 | Inactive | DFGin | 6.9536 | 14.1587 | BLAminus | -130.3, 176.57 | 62.62, 85.73 | -105.89, 13.23 | 306.79, 97.59 | -58.45, -29.69 | in-out | in | 8.9309 | Saltbr-out | 5.3907 | HRD-in | -66.96, -52.89 | 76.03, -0.37 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7953 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.25, 150.73 | APE9-dihe-na | 134.77, -173.9 | APE8-dihe-in | -105.72, 111.9 | APE8-rot-in | 311.85 | APE67-dihe-in | -56.93, -22.86 | -45.56, -48.25 | APE12-dist-in | 10.3091 | APE11-dist-in | 11.9048 | APE10-dist-in | 6.6072 | APE9-dist-in | 4.2918 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.19 | 0.202 | 0.231 | E | 305.0 | 288.0 | 7 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6lxy | 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 | 6LXYA | Q9NWZ3 | 163 | 458 | 460.0 | EXF:501 | Type1 | Inactive | DFGin | 6.9967 | 14.0491 | BLAminus | -130.85, 177.02 | 62.25, 85.69 | -105.57, 13.21 | 307.3, 97.03 | -58.17, -30.36 | in-out | in | 8.9293 | Saltbr-out | 5.3622 | HRD-in | -67.47, -54.1 | 77.02, 0.48 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8192 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.95, 147.66 | APE9-dihe-na | 135.07, -175.38 | APE8-dihe-in | -106.14, 112.07 | APE8-rot-in | 312.29 | APE67-dihe-in | -59.29, -20.88 | -52.35, -43.4 | APE12-dist-in | 10.1915 | APE11-dist-in | 11.7043 | APE10-dist-in | 6.4389 | APE9-dist-in | 4.3573 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.19 | 0.202 | 0.231 | A | 305.0 | 294.0 | 2 | 30 | 28 | 2 | [[183, 456]] | 1.0 | 6lxy | 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 | 6LXYB | Q9NWZ3 | 163 | 459 | 460.0 | EXF:502 | Type1 | None | DFGin | 6.9731 | 14.1366 | BLAminus | -129.45, 177.84 | 61.74, 86.54 | -106.07, 12.43 | 306.08, 97.48 | -57.61, -29.04 | in-none | in | 9.0982 | Saltbr-none | 999.0 | HRD-in | -68.65, -53.21 | 75.68, 1.0 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.8068 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.47, 149.33 | APE9-dihe-na | 135.3, -175.41 | APE8-dihe-in | -105.49, 112.4 | APE8-rot-in | 312.11 | APE67-dihe-in | -59.55, -21.17 | -51.5, -42.55 | APE12-dist-in | 10.1894 | APE11-dist-in | 11.6864 | APE10-dist-in | 6.444 | APE9-dist-in | 4.3325 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.19 | 0.202 | 0.231 | B | 305.0 | 297.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 6lxy | 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 | 6LXYD | Q9NWZ3 | 162 | 459 | 460.0 | EXF:502 | Type1 | Inactive | DFGin | 7.0024 | 14.1156 | BLAminus | -130.62, 177.55 | 62.4, 85.91 | -106.35, 12.8 | 307.19, 98.16 | -58.64, -30.18 | in-out | in | 8.9428 | Saltbr-out | 5.3537 | HRD-in | -67.38, -53.42 | 77.14, -1.48 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7863 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.01, 149.8 | APE9-dihe-na | 134.89, -175.28 | APE8-dihe-in | -104.95, 111.45 | APE8-rot-in | 311.34 | APE67-dihe-in | -58.57, -21.72 | -44.58, -48.25 | APE12-dist-in | 10.314 | APE11-dist-in | 11.9545 | APE10-dist-in | 6.613 | APE9-dist-in | 4.2536 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.19 | 0.202 | 0.231 | D | 305.0 | 293.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6lxy | 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 | 6LXYE | Q9NWZ3 | 164 | 458 | 460.0 | EXF:502 | Type1 | Inactive | DFGin | 6.9536 | 14.1587 | BLAminus | -130.3, 176.57 | 62.62, 85.73 | -105.89, 13.23 | 306.79, 97.59 | -58.45, -29.69 | in-out | in | 8.9309 | Saltbr-out | 5.3907 | HRD-in | -66.96, -52.89 | 76.03, -0.37 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7953 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.25, 150.73 | APE9-dihe-na | 134.77, -173.9 | APE8-dihe-in | -105.72, 111.9 | APE8-rot-in | 311.85 | APE67-dihe-in | -56.93, -22.86 | -45.56, -48.25 | APE12-dist-in | 10.3091 | APE11-dist-in | 11.9048 | APE10-dist-in | 6.6072 | APE9-dist-in | 4.2918 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.19 | 0.202 | 0.231 | E | 305.0 | 288.0 | 7 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6lxy | 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 |
|---|