| 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 | 8SCWA | Q9NWZ3 | 164 | 458 | 460.0 | ZVA:502 | Type1 | Active | DFGin | 6.949 | 13.9554 | BLAminus | -127.98, -178.64 | 58.18, 81.05 | -102.57, 16.55 | 304.99, 101.16 | -62.35, -27.98 | in-in | in | 8.6228 | Saltbr-in | 3.0695 | HRD-in | -64.77, -51.29 | 78.36, -5.77 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.783 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.58, 147.29 | APE9-dihe-na | 136.17, -170.2 | APE8-dihe-in | -107.72, 107.21 | APE8-rot-in | 307.44 | APE67-dihe-in | -62.81, -21.07 | -41.99, -38.76 | APE12-dist-in | 10.2887 | APE11-dist-in | 11.803 | APE10-dist-in | 6.5358 | APE9-dist-in | 4.1925 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.76 | 0.197 | 0.238 | A | 305.0 | 286.0 | 9 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8scw | 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 | 8SCWB | Q9NWZ3 | 164 | 458 | 460.0 | ZVA:503 | Type1 | Active | DFGin | 6.9168 | 13.9346 | BLAminus | -128.2, -178.62 | 57.88, 81.14 | -102.7, 16.27 | 305.4, 99.65 | -62.0, -27.36 | in-in | in | 8.6796 | Saltbr-in | 3.1049 | HRD-in | -66.25, -47.62 | 74.19, -3.24 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8495 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.99, 148.79 | APE9-dihe-na | 138.79, -168.97 | APE8-dihe-in | -106.05, 107.42 | APE8-rot-in | 307.69 | APE67-dihe-in | -61.91, -21.89 | -43.06, -38.9 | APE12-dist-in | 10.1493 | APE11-dist-in | 11.6777 | APE10-dist-in | 6.4467 | APE9-dist-in | 4.1736 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.76 | 0.197 | 0.238 | B | 305.0 | 286.0 | 9 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8scw | 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 | 8SCWC | Q9NWZ3 | 164 | 458 | 460.0 | ZVA:504 | Type1 | Active | DFGin | 6.9904 | 13.9574 | BLAminus | -128.34, -178.84 | 58.46, 80.95 | -102.7, 17.0 | 305.11, 100.34 | -60.28, -38.49 | in-in | in | 8.6123 | Saltbr-in | 3.0779 | HRD-in | -64.94, -50.47 | 78.38, -7.14 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7877 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.26, 147.61 | APE9-dihe-na | 135.64, -170.98 | APE8-dihe-in | -106.84, 106.55 | APE8-rot-in | 307.9 | APE67-dihe-in | -62.95, -20.83 | -41.66, -39.27 | APE12-dist-in | 10.2813 | APE11-dist-in | 11.9023 | APE10-dist-in | 6.5798 | APE9-dist-in | 4.1563 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.76 | 0.197 | 0.238 | C | 305.0 | 284.0 | 11 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8scw | 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 | 8SCWD | Q9NWZ3 | 164 | 458 | 460.0 | ZVA:503 | Type1 | Active | DFGin | 6.9301 | 13.9264 | BLAminus | -127.14, -178.48 | 58.45, 80.61 | -102.69, 16.54 | 304.74, 100.68 | -62.23, -29.15 | in-in | in | 8.5743 | Saltbr-in | 3.051 | HRD-in | -64.31, -51.28 | 79.3, -9.6 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7763 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.27, 148.51 | APE9-dihe-na | 135.19, -171.01 | APE8-dihe-in | -107.16, 107.03 | APE8-rot-in | 307.56 | APE67-dihe-in | -62.12, -22.03 | -41.61, -38.47 | APE12-dist-in | 10.2513 | APE11-dist-in | 11.8888 | APE10-dist-in | 6.5736 | APE9-dist-in | 4.1593 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.76 | 0.197 | 0.238 | D | 305.0 | 284.0 | 11 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8scw | 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 | 8SCWA | Q9NWZ3 | 164 | 458 | 460.0 | ZVA:502 | Type1 | Active | DFGin | 6.949 | 13.9554 | BLAminus | -127.98, -178.64 | 58.18, 81.05 | -102.57, 16.55 | 304.99, 101.16 | -62.35, -27.98 | in-in | in | 8.6228 | Saltbr-in | 3.0695 | HRD-in | -64.77, -51.29 | 78.36, -5.77 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.783 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.58, 147.29 | APE9-dihe-na | 136.17, -170.2 | APE8-dihe-in | -107.72, 107.21 | APE8-rot-in | 307.44 | APE67-dihe-in | -62.81, -21.07 | -41.99, -38.76 | APE12-dist-in | 10.2887 | APE11-dist-in | 11.803 | APE10-dist-in | 6.5358 | APE9-dist-in | 4.1925 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.76 | 0.197 | 0.238 | A | 305.0 | 286.0 | 9 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8scw | 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 | 8SCWB | Q9NWZ3 | 164 | 458 | 460.0 | ZVA:503 | Type1 | Active | DFGin | 6.9168 | 13.9346 | BLAminus | -128.2, -178.62 | 57.88, 81.14 | -102.7, 16.27 | 305.4, 99.65 | -62.0, -27.36 | in-in | in | 8.6796 | Saltbr-in | 3.1049 | HRD-in | -66.25, -47.62 | 74.19, -3.24 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8495 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.99, 148.79 | APE9-dihe-na | 138.79, -168.97 | APE8-dihe-in | -106.05, 107.42 | APE8-rot-in | 307.69 | APE67-dihe-in | -61.91, -21.89 | -43.06, -38.9 | APE12-dist-in | 10.1493 | APE11-dist-in | 11.6777 | APE10-dist-in | 6.4467 | APE9-dist-in | 4.1736 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.76 | 0.197 | 0.238 | B | 305.0 | 286.0 | 9 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8scw | 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 | 8SCWC | Q9NWZ3 | 164 | 458 | 460.0 | ZVA:504 | Type1 | Active | DFGin | 6.9904 | 13.9574 | BLAminus | -128.34, -178.84 | 58.46, 80.95 | -102.7, 17.0 | 305.11, 100.34 | -60.28, -38.49 | in-in | in | 8.6123 | Saltbr-in | 3.0779 | HRD-in | -64.94, -50.47 | 78.38, -7.14 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7877 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.26, 147.61 | APE9-dihe-na | 135.64, -170.98 | APE8-dihe-in | -106.84, 106.55 | APE8-rot-in | 307.9 | APE67-dihe-in | -62.95, -20.83 | -41.66, -39.27 | APE12-dist-in | 10.2813 | APE11-dist-in | 11.9023 | APE10-dist-in | 6.5798 | APE9-dist-in | 4.1563 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.76 | 0.197 | 0.238 | C | 305.0 | 284.0 | 11 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8scw | 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 | 8SCWD | Q9NWZ3 | 164 | 458 | 460.0 | ZVA:503 | Type1 | Active | DFGin | 6.9301 | 13.9264 | BLAminus | -127.14, -178.48 | 58.45, 80.61 | -102.69, 16.54 | 304.74, 100.68 | -62.23, -29.15 | in-in | in | 8.5743 | Saltbr-in | 3.051 | HRD-in | -64.31, -51.28 | 79.3, -9.6 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7763 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.27, 148.51 | APE9-dihe-na | 135.19, -171.01 | APE8-dihe-in | -107.16, 107.03 | APE8-rot-in | 307.56 | APE67-dihe-in | -62.12, -22.03 | -41.61, -38.47 | APE12-dist-in | 10.2513 | APE11-dist-in | 11.8888 | APE10-dist-in | 6.5736 | APE9-dist-in | 4.1593 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.76 | 0.197 | 0.238 | D | 305.0 | 284.0 | 11 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8scw | 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 |
|---|