| 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 | 4ZTLA | Q9NWZ3 | 165 | 459 | 460.0 | 4S1:501 | Type1 | Active | DFGin | 7.2485 | 13.3584 | BLAminus | -117.91, 179.25 | 56.88, 97.36 | -119.29, 25.75 | 307.86, 91.56 | -68.49, -33.91 | in-in | in | 8.0261 | Saltbr-in | 2.7435 | HRD-in | -66.32, -51.9 | 77.7, -4.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0325 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.4, 151.93 | APE9-dihe-na | 136.96, -167.86 | APE8-dihe-in | -115.05, 113.79 | APE8-rot-in | 311.31 | APE67-dihe-in | -63.05, -18.96 | -38.32, -54.3 | APE12-dist-in | 9.9062 | APE11-dist-in | 11.7132 | APE10-dist-in | 6.3075 | APE9-dist-in | 3.7399 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.39 | 0.226 | 0.251 | A | 301.0 | 283.0 | 12 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 4ztl | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4ZTLB | Q9NWZ3 | 165 | 459 | 460.0 | 4S1:501 | Type1 | Active | DFGin | 7.3657 | 13.505 | BLAminus | -117.83, 179.65 | 56.5, 97.62 | -119.39, 25.81 | 307.63, 91.72 | -68.25, -34.25 | in-in | in | 8.4246 | Saltbr-in | 2.8595 | HRD-in | -65.94, -51.9 | 77.53, -3.95 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0208 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.04, 153.48 | APE9-dihe-na | 136.39, -168.5 | APE8-dihe-in | -114.87, 114.24 | APE8-rot-in | 310.51 | APE67-dihe-in | -62.87, -18.96 | -38.44, -53.72 | APE12-dist-in | 9.9024 | APE11-dist-in | 11.6832 | APE10-dist-in | 6.2716 | APE9-dist-in | 3.725 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.39 | 0.226 | 0.251 | B | 301.0 | 272.0 | 23 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 4ztl | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4ZTLC | Q9NWZ3 | 164 | 460 | 460.0 | 4S1:501 | Type1 | Active | DFGin | 7.1204 | 13.7358 | BLAminus | -116.77, 179.72 | 56.78, 97.16 | -118.74, 26.23 | 307.1, 91.38 | -67.56, -34.29 | in-in | in | 8.5247 | Saltbr-in | 3.5919 | HRD-in | -66.63, -52.32 | 77.27, -3.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7645 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.73, 154.17 | APE9-dihe-na | 136.59, -168.35 | APE8-dihe-in | -115.05, 114.89 | APE8-rot-in | 308.8 | APE67-dihe-in | -61.95, -19.73 | -39.55, -53.38 | APE12-dist-in | 9.6829 | APE11-dist-in | 11.6786 | APE10-dist-in | 6.2916 | APE9-dist-in | 3.7394 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.39 | 0.226 | 0.251 | C | 301.0 | 285.0 | 12 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4ztl | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4ZTLD | Q9NWZ3 | 164 | 460 | 460.0 | 4S1:501 | Type1 | Inactive | DFGin | 7.408 | 13.8584 | BLAminus | -116.1, 179.03 | 57.27, 97.63 | -119.15, 26.56 | 307.31, 90.9 | -69.0, -33.74 | in-out | in | 8.834 | Saltbr-out | 4.0326 | HRD-in | -66.21, -53.23 | 78.61, -4.19 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.759 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.29, 153.79 | APE9-dihe-na | 136.38, -168.38 | APE8-dihe-in | -115.43, 114.11 | APE8-rot-in | 309.49 | APE67-dihe-in | -62.14, -19.04 | -39.35, -53.51 | APE12-dist-in | 9.8775 | APE11-dist-in | 11.6541 | APE10-dist-in | 6.2719 | APE9-dist-in | 3.739 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.39 | 0.226 | 0.251 | D | 301.0 | 288.0 | 9 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4ztl | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4ZTLA | Q9NWZ3 | 165 | 459 | 460.0 | 4S1:501 | Type1 | Active | DFGin | 7.2485 | 13.3584 | BLAminus | -117.91, 179.25 | 56.88, 97.36 | -119.29, 25.75 | 307.86, 91.56 | -68.49, -33.91 | in-in | in | 8.0261 | Saltbr-in | 2.7435 | HRD-in | -66.32, -51.9 | 77.7, -4.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0325 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.4, 151.93 | APE9-dihe-na | 136.96, -167.86 | APE8-dihe-in | -115.05, 113.79 | APE8-rot-in | 311.31 | APE67-dihe-in | -63.05, -18.96 | -38.32, -54.3 | APE12-dist-in | 9.9062 | APE11-dist-in | 11.7132 | APE10-dist-in | 6.3075 | APE9-dist-in | 3.7399 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.39 | 0.226 | 0.251 | A | 301.0 | 283.0 | 12 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 4ztl | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4ZTLB | Q9NWZ3 | 165 | 459 | 460.0 | 4S1:501 | Type1 | Active | DFGin | 7.3657 | 13.505 | BLAminus | -117.83, 179.65 | 56.5, 97.62 | -119.39, 25.81 | 307.63, 91.72 | -68.25, -34.25 | in-in | in | 8.4246 | Saltbr-in | 2.8595 | HRD-in | -65.94, -51.9 | 77.53, -3.95 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0208 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.04, 153.48 | APE9-dihe-na | 136.39, -168.5 | APE8-dihe-in | -114.87, 114.24 | APE8-rot-in | 310.51 | APE67-dihe-in | -62.87, -18.96 | -38.44, -53.72 | APE12-dist-in | 9.9024 | APE11-dist-in | 11.6832 | APE10-dist-in | 6.2716 | APE9-dist-in | 3.725 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.39 | 0.226 | 0.251 | B | 301.0 | 272.0 | 23 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 4ztl | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4ZTLC | Q9NWZ3 | 164 | 460 | 460.0 | 4S1:501 | Type1 | Active | DFGin | 7.1204 | 13.7358 | BLAminus | -116.77, 179.72 | 56.78, 97.16 | -118.74, 26.23 | 307.1, 91.38 | -67.56, -34.29 | in-in | in | 8.5247 | Saltbr-in | 3.5919 | HRD-in | -66.63, -52.32 | 77.27, -3.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7645 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.73, 154.17 | APE9-dihe-na | 136.59, -168.35 | APE8-dihe-in | -115.05, 114.89 | APE8-rot-in | 308.8 | APE67-dihe-in | -61.95, -19.73 | -39.55, -53.38 | APE12-dist-in | 9.6829 | APE11-dist-in | 11.6786 | APE10-dist-in | 6.2916 | APE9-dist-in | 3.7394 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.39 | 0.226 | 0.251 | C | 301.0 | 285.0 | 12 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4ztl | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4ZTLD | Q9NWZ3 | 164 | 460 | 460.0 | 4S1:501 | Type1 | Inactive | DFGin | 7.408 | 13.8584 | BLAminus | -116.1, 179.03 | 57.27, 97.63 | -119.15, 26.56 | 307.31, 90.9 | -69.0, -33.74 | in-out | in | 8.834 | Saltbr-out | 4.0326 | HRD-in | -66.21, -53.23 | 78.61, -4.19 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.759 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.29, 153.79 | APE9-dihe-na | 136.38, -168.38 | APE8-dihe-in | -115.43, 114.11 | APE8-rot-in | 309.49 | APE67-dihe-in | -62.14, -19.04 | -39.35, -53.51 | APE12-dist-in | 9.8775 | APE11-dist-in | 11.6541 | APE10-dist-in | 6.2719 | APE9-dist-in | 3.739 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.39 | 0.226 | 0.251 | D | 301.0 | 288.0 | 9 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4ztl | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 |
|---|