| 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 | 7QG2A | Q9NWZ3 | 164 | 458 | 460.0 | B6I:501 | Type1 | Inactive | DFGin | 6.7297 | 14.1053 | BLAminus | -125.05, 176.88 | 61.14, 81.6 | -102.86, 19.43 | 311.58, 97.65 | -64.22, -24.25 | in-out | in | 8.7049 | Saltbr-out | 4.5606 | HRD-in | -63.97, -47.98 | 75.86, -3.25 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8469 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.2, 151.19 | APE9-dihe-na | 136.66, 178.88 | APE8-dihe-in | -97.77, 114.51 | APE8-rot-in | 305.46 | APE67-dihe-in | -59.4, -19.06 | -44.01, -48.1 | APE12-dist-in | 10.052 | APE11-dist-in | 11.4971 | APE10-dist-in | 6.1997 | APE9-dist-in | 3.9271 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 3.031 | 0.227 | 0.274 | A | 308.0 | 281.0 | 14 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 7qg2 | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 7QG2B | Q9NWZ3 | 165 | 458 | 460.0 | B6I:501 | Type1 | Inactive | DFGin | 6.7217 | 14.5967 | BLAminus | -126.18, -179.5 | 55.73, 88.47 | -114.93, 34.76 | 304.62, 86.87 | -76.5, -21.59 | in-out | in | 9.0083 | Saltbr-out | 4.1411 | HRD-in | -59.71, -48.0 | 76.59, -4.26 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8364 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.23, 151.56 | APE9-dihe-na | 136.82, 177.58 | APE8-dihe-in | -97.3, 113.73 | APE8-rot-in | 307.05 | APE67-dihe-in | -59.8, -18.2 | -41.32, -48.97 | APE12-dist-in | 10.0594 | APE11-dist-in | 11.5265 | APE10-dist-in | 6.3643 | APE9-dist-in | 3.9131 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 3.031 | 0.227 | 0.274 | B | 308.0 | 275.0 | 19 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 7qg2 | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 7QG2C | Q9NWZ3 | 164 | 458 | 460.0 | B6I:501 | Type1 | Inactive | DFGin | 6.9577 | 14.1725 | BLAminus | -123.88, 179.51 | 55.6, 95.37 | -116.47, 22.24 | 302.05, 94.49 | -66.41, -26.71 | in-out | in | 8.9488 | Saltbr-out | 4.3168 | HRD-in | -60.39, -48.1 | 75.35, -2.7 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8488 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.09, 152.33 | APE9-dihe-na | 135.79, 177.88 | APE8-dihe-in | -96.73, 114.77 | APE8-rot-in | 307.98 | APE67-dihe-in | -59.31, -19.42 | -43.08, -47.58 | APE12-dist-in | 10.1175 | APE11-dist-in | 11.6603 | APE10-dist-in | 6.4245 | APE9-dist-in | 3.9036 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 3.031 | 0.227 | 0.274 | C | 308.0 | 284.0 | 11 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 7qg2 | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 7QG2D | Q9NWZ3 | 164 | 458 | 460.0 | B6I:501 | Type1 | Inactive | DFGin | 6.8695 | 14.5085 | BLAminus | -124.89, 178.48 | 57.48, 94.84 | -118.64, 27.39 | 301.07, 100.0 | -70.03, -20.47 | in-out | in | 8.921 | Saltbr-out | 4.276 | HRD-in | -61.48, -47.48 | 76.38, -5.16 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8424 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.84, 151.37 | APE9-dihe-na | 137.51, 176.91 | APE8-dihe-in | -97.58, 114.3 | APE8-rot-in | 305.98 | APE67-dihe-in | -59.32, -18.8 | -41.34, -49.0 | APE12-dist-in | 9.8967 | APE11-dist-in | 11.6128 | APE10-dist-in | 6.4087 | APE9-dist-in | 3.9216 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 3.031 | 0.227 | 0.274 | D | 308.0 | 280.0 | 15 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 7qg2 | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 7QG2A | Q9NWZ3 | 164 | 458 | 460.0 | B6I:501 | Type1 | Inactive | DFGin | 6.7297 | 14.1053 | BLAminus | -125.05, 176.88 | 61.14, 81.6 | -102.86, 19.43 | 311.58, 97.65 | -64.22, -24.25 | in-out | in | 8.7049 | Saltbr-out | 4.5606 | HRD-in | -63.97, -47.98 | 75.86, -3.25 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8469 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.2, 151.19 | APE9-dihe-na | 136.66, 178.88 | APE8-dihe-in | -97.77, 114.51 | APE8-rot-in | 305.46 | APE67-dihe-in | -59.4, -19.06 | -44.01, -48.1 | APE12-dist-in | 10.052 | APE11-dist-in | 11.4971 | APE10-dist-in | 6.1997 | APE9-dist-in | 3.9271 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 3.031 | 0.227 | 0.274 | A | 308.0 | 281.0 | 14 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 7qg2 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 7QG2B | Q9NWZ3 | 165 | 458 | 460.0 | B6I:501 | Type1 | Inactive | DFGin | 6.7217 | 14.5967 | BLAminus | -126.18, -179.5 | 55.73, 88.47 | -114.93, 34.76 | 304.62, 86.87 | -76.5, -21.59 | in-out | in | 9.0083 | Saltbr-out | 4.1411 | HRD-in | -59.71, -48.0 | 76.59, -4.26 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8364 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.23, 151.56 | APE9-dihe-na | 136.82, 177.58 | APE8-dihe-in | -97.3, 113.73 | APE8-rot-in | 307.05 | APE67-dihe-in | -59.8, -18.2 | -41.32, -48.97 | APE12-dist-in | 10.0594 | APE11-dist-in | 11.5265 | APE10-dist-in | 6.3643 | APE9-dist-in | 3.9131 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 3.031 | 0.227 | 0.274 | B | 308.0 | 275.0 | 19 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 7qg2 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 7QG2C | Q9NWZ3 | 164 | 458 | 460.0 | B6I:501 | Type1 | Inactive | DFGin | 6.9577 | 14.1725 | BLAminus | -123.88, 179.51 | 55.6, 95.37 | -116.47, 22.24 | 302.05, 94.49 | -66.41, -26.71 | in-out | in | 8.9488 | Saltbr-out | 4.3168 | HRD-in | -60.39, -48.1 | 75.35, -2.7 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8488 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.09, 152.33 | APE9-dihe-na | 135.79, 177.88 | APE8-dihe-in | -96.73, 114.77 | APE8-rot-in | 307.98 | APE67-dihe-in | -59.31, -19.42 | -43.08, -47.58 | APE12-dist-in | 10.1175 | APE11-dist-in | 11.6603 | APE10-dist-in | 6.4245 | APE9-dist-in | 3.9036 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 3.031 | 0.227 | 0.274 | C | 308.0 | 284.0 | 11 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 7qg2 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 7QG2D | Q9NWZ3 | 164 | 458 | 460.0 | B6I:501 | Type1 | Inactive | DFGin | 6.8695 | 14.5085 | BLAminus | -124.89, 178.48 | 57.48, 94.84 | -118.64, 27.39 | 301.07, 100.0 | -70.03, -20.47 | in-out | in | 8.921 | Saltbr-out | 4.276 | HRD-in | -61.48, -47.48 | 76.38, -5.16 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8424 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.84, 151.37 | APE9-dihe-na | 137.51, 176.91 | APE8-dihe-in | -97.58, 114.3 | APE8-rot-in | 305.98 | APE67-dihe-in | -59.32, -18.8 | -41.34, -49.0 | APE12-dist-in | 9.8967 | APE11-dist-in | 11.6128 | APE10-dist-in | 6.4087 | APE9-dist-in | 3.9216 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 3.031 | 0.227 | 0.274 | D | 308.0 | 280.0 | 15 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 7qg2 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-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 |
|---|