| 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 | 5K7GA | Q9NWZ3 | 164 | 458 | 460.0 | 6R0:503 | Type1 | Active | DFGin | 6.9273 | 14.5789 | BLAminus | -130.44, 172.6 | 63.09, 86.67 | -104.49, 18.83 | 308.78, 101.81 | -65.52, -32.04 | in-in | in | 8.8776 | Saltbr-in | 3.3007 | HRD-in | -67.24, -50.39 | 78.51, -10.38 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8499 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.81, 145.66 | APE9-dihe-na | 138.88, -174.27 | APE8-dihe-in | -106.05, 110.69 | APE8-rot-in | 312.32 | APE67-dihe-in | -63.78, -20.0 | -39.72, -49.62 | APE12-dist-in | 10.0827 | APE11-dist-in | 11.8705 | APE10-dist-in | 6.4292 | APE9-dist-in | 4.12 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.23 | 0.207 | 0.227 | A | 301.0 | 279.0 | 16 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5k7g | 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 | 5K7GB | Q9NWZ3 | 165 | 458 | 460.0 | 6R0:503 | Type1 | None | DFGin | 6.9828 | 14.5764 | BLAminus | -125.44, 169.29 | 65.46, 85.11 | -103.67, 20.54 | 309.11, 102.13 | -65.88, -35.43 | in-in | in | 8.8953 | Saltbr-in | 3.1333 | HRD-in | -66.71, -50.75 | 79.24, -11.2 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8554 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnii | APE10-dihe-na | 999.0, 145.13 | APE9-dihe-na | 139.01, -174.96 | APE8-dihe-in | -106.13, 110.24 | APE8-rot-in | 312.27 | APE67-dihe-in | -64.1, -19.47 | -39.24, -50.05 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 6.428 | APE9-dist-in | 4.132 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.23 | 0.207 | 0.227 | B | 301.0 | 275.0 | 19 | 30 | 16 | 14 | [[183, 456]] | 1.0 | 5k7g | 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 | 5K7GC | Q9NWZ3 | 164 | 458 | 460.0 | 6R0:501 | Type1 | Active | DFGin | 6.9575 | 14.4653 | BLAminus | -132.74, 161.94 | 65.76, 88.06 | -104.31, 18.89 | 309.03, 102.17 | -65.27, -31.9 | in-in | in | 8.8581 | Saltbr-in | 2.8923 | HRD-in | -66.94, -50.37 | 77.56, -9.09 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8541 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.84, 146.49 | APE9-dihe-na | 138.07, -172.84 | APE8-dihe-in | -106.43, 110.54 | APE8-rot-in | 312.48 | APE67-dihe-in | -63.68, -20.75 | -40.38, -49.26 | APE12-dist-in | 10.1719 | APE11-dist-in | 11.746 | APE10-dist-in | 6.3479 | APE9-dist-in | 4.1262 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.23 | 0.207 | 0.227 | C | 301.0 | 285.0 | 10 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5k7g | 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 | 5K7GD | Q9NWZ3 | 164 | 458 | 460.0 | 6R0:502 | Type1 | Active | DFGin | 6.9139 | 14.4521 | BLAminus | -130.04, 170.31 | 63.99, 86.8 | -104.75, 18.86 | 309.06, 102.0 | -64.76, -32.56 | in-in | in | 8.818 | Saltbr-in | 3.1217 | HRD-in | -66.7, -50.93 | 78.39, -9.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8521 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.67, 145.96 | APE9-dihe-na | 138.88, -173.03 | APE8-dihe-in | -106.21, 110.06 | APE8-rot-in | 312.19 | APE67-dihe-in | -64.22, -19.64 | -40.02, -49.24 | APE12-dist-in | 10.0286 | APE11-dist-in | 11.7906 | APE10-dist-in | 6.3793 | APE9-dist-in | 4.1312 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.23 | 0.207 | 0.227 | D | 301.0 | 285.0 | 10 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5k7g | 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 | 5K7GA | Q9NWZ3 | 164 | 458 | 460.0 | 6R0:503 | Type1 | Active | DFGin | 6.9273 | 14.5789 | BLAminus | -130.44, 172.6 | 63.09, 86.67 | -104.49, 18.83 | 308.78, 101.81 | -65.52, -32.04 | in-in | in | 8.8776 | Saltbr-in | 3.3007 | HRD-in | -67.24, -50.39 | 78.51, -10.38 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8499 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.81, 145.66 | APE9-dihe-na | 138.88, -174.27 | APE8-dihe-in | -106.05, 110.69 | APE8-rot-in | 312.32 | APE67-dihe-in | -63.78, -20.0 | -39.72, -49.62 | APE12-dist-in | 10.0827 | APE11-dist-in | 11.8705 | APE10-dist-in | 6.4292 | APE9-dist-in | 4.12 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.23 | 0.207 | 0.227 | A | 301.0 | 279.0 | 16 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5k7g | 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 | 5K7GB | Q9NWZ3 | 165 | 458 | 460.0 | 6R0:503 | Type1 | None | DFGin | 6.9828 | 14.5764 | BLAminus | -125.44, 169.29 | 65.46, 85.11 | -103.67, 20.54 | 309.11, 102.13 | -65.88, -35.43 | in-in | in | 8.8953 | Saltbr-in | 3.1333 | HRD-in | -66.71, -50.75 | 79.24, -11.2 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8554 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnii | APE10-dihe-na | 999.0, 145.13 | APE9-dihe-na | 139.01, -174.96 | APE8-dihe-in | -106.13, 110.24 | APE8-rot-in | 312.27 | APE67-dihe-in | -64.1, -19.47 | -39.24, -50.05 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 6.428 | APE9-dist-in | 4.132 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.23 | 0.207 | 0.227 | B | 301.0 | 275.0 | 19 | 30 | 16 | 14 | [[183, 456]] | 1.0 | 5k7g | 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 | 5K7GC | Q9NWZ3 | 164 | 458 | 460.0 | 6R0:501 | Type1 | Active | DFGin | 6.9575 | 14.4653 | BLAminus | -132.74, 161.94 | 65.76, 88.06 | -104.31, 18.89 | 309.03, 102.17 | -65.27, -31.9 | in-in | in | 8.8581 | Saltbr-in | 2.8923 | HRD-in | -66.94, -50.37 | 77.56, -9.09 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8541 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.84, 146.49 | APE9-dihe-na | 138.07, -172.84 | APE8-dihe-in | -106.43, 110.54 | APE8-rot-in | 312.48 | APE67-dihe-in | -63.68, -20.75 | -40.38, -49.26 | APE12-dist-in | 10.1719 | APE11-dist-in | 11.746 | APE10-dist-in | 6.3479 | APE9-dist-in | 4.1262 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.23 | 0.207 | 0.227 | C | 301.0 | 285.0 | 10 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5k7g | 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 | 5K7GD | Q9NWZ3 | 164 | 458 | 460.0 | 6R0:502 | Type1 | Active | DFGin | 6.9139 | 14.4521 | BLAminus | -130.04, 170.31 | 63.99, 86.8 | -104.75, 18.86 | 309.06, 102.0 | -64.76, -32.56 | in-in | in | 8.818 | Saltbr-in | 3.1217 | HRD-in | -66.7, -50.93 | 78.39, -9.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8521 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.67, 145.96 | APE9-dihe-na | 138.88, -173.03 | APE8-dihe-in | -106.21, 110.06 | APE8-rot-in | 312.19 | APE67-dihe-in | -64.22, -19.64 | -40.02, -49.24 | APE12-dist-in | 10.0286 | APE11-dist-in | 11.7906 | APE10-dist-in | 6.3793 | APE9-dist-in | 4.1312 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.23 | 0.207 | 0.227 | D | 301.0 | 285.0 | 10 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5k7g | 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 |
|---|