| 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 | 5K72A | Q9NWZ3 | 164 | 458 | 460.0 | 6QY:503 | Type1 | Active | DFGin | 6.8759 | 14.7895 | BLAminus | -129.6, 174.26 | 62.65, 87.42 | -104.23, 19.84 | 308.29, 101.45 | -64.94, -30.93 | in-in | in | 8.9263 | Saltbr-in | 3.2928 | HRD-in | -66.84, -51.14 | 79.92, -9.54 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8541 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.42, 150.12 | APE9-dihe-na | 136.94, -172.18 | APE8-dihe-in | -106.38, 111.25 | APE8-rot-in | 311.69 | APE67-dihe-in | -67.35, -18.0 | -44.33, -42.84 | APE12-dist-in | 10.1791 | APE11-dist-in | 11.8759 | APE10-dist-in | 6.4163 | APE9-dist-in | 4.057 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.22 | 0.215 | 0.225 | A | 301.0 | 279.0 | 16 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5k72 | 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 | 5K72B | Q9NWZ3 | 165 | 458 | 460.0 | 6QY:504 | Type1 | None | DFGin | 6.9184 | 14.7968 | BLAminus | -126.83, 172.54 | 63.1, 86.46 | -103.47, 19.92 | 308.93, 101.56 | -64.92, -35.48 | in-in | in | 8.8719 | Saltbr-in | 3.0871 | HRD-in | -67.63, -51.12 | 79.83, -9.89 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8692 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnii | APE10-dihe-na | 999.0, 146.4 | APE9-dihe-na | 138.09, -173.14 | APE8-dihe-in | -106.76, 111.81 | APE8-rot-in | 311.41 | APE67-dihe-in | -65.66, -17.88 | -41.88, -47.58 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 6.4064 | APE9-dist-in | 4.0839 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.22 | 0.215 | 0.225 | B | 301.0 | 267.0 | 27 | 30 | 16 | 14 | [[183, 456]] | 1.0 | 5k72 | 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 | 5K72C | Q9NWZ3 | 164 | 458 | 460.0 | 6QY:501 | Type1 | Active | DFGin | 6.8592 | 14.8448 | BLAminus | -130.1, 165.54 | 64.05, 88.04 | -103.72, 18.66 | 308.67, 101.27 | -64.81, -28.57 | in-in | in | 9.1235 | Saltbr-in | 3.0215 | HRD-in | -67.68, -49.88 | 78.27, -10.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8443 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.88, 146.9 | APE9-dihe-na | 138.11, -173.71 | APE8-dihe-in | -107.12, 113.22 | APE8-rot-in | 310.36 | APE67-dihe-in | -67.72, -16.57 | -43.16, -46.42 | APE12-dist-in | 10.0365 | APE11-dist-in | 11.8165 | APE10-dist-in | 6.3526 | APE9-dist-in | 4.0558 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.22 | 0.215 | 0.225 | C | 301.0 | 279.0 | 16 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5k72 | 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 | 5K72D | Q9NWZ3 | 164 | 458 | 460.0 | 6QY:501 | Type1 | Active | DFGin | 6.8499 | 14.806 | BLAminus | -126.68, 172.94 | 63.42, 86.83 | -103.81, 18.76 | 308.64, 101.29 | -64.45, -29.98 | in-in | in | 9.1769 | Saltbr-in | 3.1013 | HRD-in | -66.74, -50.47 | 78.85, -9.74 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8486 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.97, 148.93 | APE9-dihe-na | 136.71, -173.44 | APE8-dihe-in | -107.04, 113.0 | APE8-rot-in | 309.77 | APE67-dihe-in | -66.49, -17.75 | -42.69, -46.95 | APE12-dist-in | 10.1232 | APE11-dist-in | 11.894 | APE10-dist-in | 6.3939 | APE9-dist-in | 3.9898 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.22 | 0.215 | 0.225 | D | 301.0 | 278.0 | 17 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5k72 | 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 | 5K72A | Q9NWZ3 | 164 | 458 | 460.0 | 6QY:503 | Type1 | Active | DFGin | 6.8759 | 14.7895 | BLAminus | -129.6, 174.26 | 62.65, 87.42 | -104.23, 19.84 | 308.29, 101.45 | -64.94, -30.93 | in-in | in | 8.9263 | Saltbr-in | 3.2928 | HRD-in | -66.84, -51.14 | 79.92, -9.54 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8541 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.42, 150.12 | APE9-dihe-na | 136.94, -172.18 | APE8-dihe-in | -106.38, 111.25 | APE8-rot-in | 311.69 | APE67-dihe-in | -67.35, -18.0 | -44.33, -42.84 | APE12-dist-in | 10.1791 | APE11-dist-in | 11.8759 | APE10-dist-in | 6.4163 | APE9-dist-in | 4.057 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.22 | 0.215 | 0.225 | A | 301.0 | 279.0 | 16 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5k72 | 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 | 5K72B | Q9NWZ3 | 165 | 458 | 460.0 | 6QY:504 | Type1 | None | DFGin | 6.9184 | 14.7968 | BLAminus | -126.83, 172.54 | 63.1, 86.46 | -103.47, 19.92 | 308.93, 101.56 | -64.92, -35.48 | in-in | in | 8.8719 | Saltbr-in | 3.0871 | HRD-in | -67.63, -51.12 | 79.83, -9.89 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8692 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnii | APE10-dihe-na | 999.0, 146.4 | APE9-dihe-na | 138.09, -173.14 | APE8-dihe-in | -106.76, 111.81 | APE8-rot-in | 311.41 | APE67-dihe-in | -65.66, -17.88 | -41.88, -47.58 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 6.4064 | APE9-dist-in | 4.0839 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.22 | 0.215 | 0.225 | B | 301.0 | 267.0 | 27 | 30 | 16 | 14 | [[183, 456]] | 1.0 | 5k72 | 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 | 5K72C | Q9NWZ3 | 164 | 458 | 460.0 | 6QY:501 | Type1 | Active | DFGin | 6.8592 | 14.8448 | BLAminus | -130.1, 165.54 | 64.05, 88.04 | -103.72, 18.66 | 308.67, 101.27 | -64.81, -28.57 | in-in | in | 9.1235 | Saltbr-in | 3.0215 | HRD-in | -67.68, -49.88 | 78.27, -10.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8443 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.88, 146.9 | APE9-dihe-na | 138.11, -173.71 | APE8-dihe-in | -107.12, 113.22 | APE8-rot-in | 310.36 | APE67-dihe-in | -67.72, -16.57 | -43.16, -46.42 | APE12-dist-in | 10.0365 | APE11-dist-in | 11.8165 | APE10-dist-in | 6.3526 | APE9-dist-in | 4.0558 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.22 | 0.215 | 0.225 | C | 301.0 | 279.0 | 16 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5k72 | 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 | 5K72D | Q9NWZ3 | 164 | 458 | 460.0 | 6QY:501 | Type1 | Active | DFGin | 6.8499 | 14.806 | BLAminus | -126.68, 172.94 | 63.42, 86.83 | -103.81, 18.76 | 308.64, 101.29 | -64.45, -29.98 | in-in | in | 9.1769 | Saltbr-in | 3.1013 | HRD-in | -66.74, -50.47 | 78.85, -9.74 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8486 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.97, 148.93 | APE9-dihe-na | 136.71, -173.44 | APE8-dihe-in | -107.04, 113.0 | APE8-rot-in | 309.77 | APE67-dihe-in | -66.49, -17.75 | -42.69, -46.95 | APE12-dist-in | 10.1232 | APE11-dist-in | 11.894 | APE10-dist-in | 6.3939 | APE9-dist-in | 3.9898 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 2.22 | 0.215 | 0.225 | D | 301.0 | 278.0 | 17 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5k72 | 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 |
|---|