| 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 | 6MOMA | Q9NWZ3 | 164 | 460 | 460.0 | JX4:500 | Type1 | Active | DFGin | 7.1288 | 13.3417 | BLAminus | -133.95, 172.65 | 70.74, 82.36 | -107.03, 19.92 | 305.8, 92.98 | -64.41, -27.6 | in-in | in | 8.2554 | Saltbr-in | 3.009 | HRD-in | -79.36, -51.43 | 75.47, 2.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7127 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.06, 152.26 | APE9-dihe-na | 137.43, -179.57 | APE8-dihe-in | -101.68, 120.01 | APE8-rot-in | 303.6 | APE67-dihe-in | -63.77, -14.43 | -53.86, -42.85 | APE12-dist-in | 10.3433 | APE11-dist-in | 12.1388 | APE10-dist-in | 7.3018 | APE9-dist-in | 4.7914 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.168 | 0.207 | A | 303.0 | 289.0 | 8 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 6mom | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 6MOMB | Q9NWZ3 | 164 | 459 | 460.0 | JX4:500 | Type1 | Inactive | DFGin | 7.1655 | 13.5154 | BLAminus | -127.54, 170.46 | 71.09, 82.13 | -106.22, 20.82 | 305.71, 89.03 | -65.5, -27.27 | in-out | in | 8.5492 | Saltbr-out | 5.0881 | HRD-in | -79.93, -51.42 | 76.22, 2.24 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7756 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.82, 152.75 | APE9-dihe-na | 140.22, 179.97 | APE8-dihe-in | -102.97, 112.18 | APE8-rot-in | 307.34 | APE67-dihe-in | -63.75, -15.14 | -58.52, -34.89 | APE12-dist-in | 10.1297 | APE11-dist-in | 12.031 | APE10-dist-in | 7.0099 | APE9-dist-in | 4.5624 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.168 | 0.207 | B | 303.0 | 289.0 | 7 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6mom | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 6MOMC | Q9NWZ3 | 163 | 460 | 460.0 | JX4:500 | Type1 | Active | DFGin | 7.1322 | 13.3299 | BLAminus | -133.27, 172.2 | 69.98, 81.72 | -106.08, 16.49 | 303.99, 96.21 | -63.79, -25.79 | in-in | in | 8.2366 | Saltbr-in | 2.78 | HRD-in | -77.9, -50.77 | 76.54, 1.38 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7171 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.08, 151.25 | APE9-dihe-na | 135.21, -179.82 | APE8-dihe-in | -101.82, 118.78 | APE8-rot-in | 306.47 | APE67-dihe-in | -63.2, -15.41 | -53.95, -41.15 | APE12-dist-in | 10.3567 | APE11-dist-in | 12.0705 | APE10-dist-in | 7.0672 | APE9-dist-in | 4.647 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.168 | 0.207 | C | 303.0 | 292.0 | 6 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 6mom | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 6MOMD | Q9NWZ3 | 164 | 459 | 460.0 | JX4:500 | Type1 | Inactive | DFGin | 6.9958 | 13.418 | BLAminus | -130.88, 172.79 | 70.38, 81.05 | -105.81, 20.52 | 305.57, 94.51 | -64.31, -26.67 | in-out | in | 8.4879 | Saltbr-out | 4.6811 | HRD-in | -80.85, -51.58 | 75.47, 1.68 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8054 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.31, 153.05 | APE9-dihe-na | 140.98, -178.81 | APE8-dihe-in | -101.12, 113.96 | APE8-rot-in | 309.17 | APE67-dihe-in | -64.74, -14.89 | -58.96, -36.24 | APE12-dist-in | 10.1507 | APE11-dist-in | 11.959 | APE10-dist-in | 7.0419 | APE9-dist-in | 4.5456 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.168 | 0.207 | D | 303.0 | 296.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 6mom | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 6MOMA | Q9NWZ3 | 164 | 460 | 460.0 | JX4:500 | Type1 | Active | DFGin | 7.1288 | 13.3417 | BLAminus | -133.95, 172.65 | 70.74, 82.36 | -107.03, 19.92 | 305.8, 92.98 | -64.41, -27.6 | in-in | in | 8.2554 | Saltbr-in | 3.009 | HRD-in | -79.36, -51.43 | 75.47, 2.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7127 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.06, 152.26 | APE9-dihe-na | 137.43, -179.57 | APE8-dihe-in | -101.68, 120.01 | APE8-rot-in | 303.6 | APE67-dihe-in | -63.77, -14.43 | -53.86, -42.85 | APE12-dist-in | 10.3433 | APE11-dist-in | 12.1388 | APE10-dist-in | 7.3018 | APE9-dist-in | 4.7914 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.168 | 0.207 | A | 303.0 | 289.0 | 8 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 6mom | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 6MOMB | Q9NWZ3 | 164 | 459 | 460.0 | JX4:500 | Type1 | Inactive | DFGin | 7.1655 | 13.5154 | BLAminus | -127.54, 170.46 | 71.09, 82.13 | -106.22, 20.82 | 305.71, 89.03 | -65.5, -27.27 | in-out | in | 8.5492 | Saltbr-out | 5.0881 | HRD-in | -79.93, -51.42 | 76.22, 2.24 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7756 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.82, 152.75 | APE9-dihe-na | 140.22, 179.97 | APE8-dihe-in | -102.97, 112.18 | APE8-rot-in | 307.34 | APE67-dihe-in | -63.75, -15.14 | -58.52, -34.89 | APE12-dist-in | 10.1297 | APE11-dist-in | 12.031 | APE10-dist-in | 7.0099 | APE9-dist-in | 4.5624 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.168 | 0.207 | B | 303.0 | 289.0 | 7 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6mom | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 6MOMC | Q9NWZ3 | 163 | 460 | 460.0 | JX4:500 | Type1 | Active | DFGin | 7.1322 | 13.3299 | BLAminus | -133.27, 172.2 | 69.98, 81.72 | -106.08, 16.49 | 303.99, 96.21 | -63.79, -25.79 | in-in | in | 8.2366 | Saltbr-in | 2.78 | HRD-in | -77.9, -50.77 | 76.54, 1.38 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7171 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.08, 151.25 | APE9-dihe-na | 135.21, -179.82 | APE8-dihe-in | -101.82, 118.78 | APE8-rot-in | 306.47 | APE67-dihe-in | -63.2, -15.41 | -53.95, -41.15 | APE12-dist-in | 10.3567 | APE11-dist-in | 12.0705 | APE10-dist-in | 7.0672 | APE9-dist-in | 4.647 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.168 | 0.207 | C | 303.0 | 292.0 | 6 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 6mom | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.2e-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 | 6MOMD | Q9NWZ3 | 164 | 459 | 460.0 | JX4:500 | Type1 | Inactive | DFGin | 6.9958 | 13.418 | BLAminus | -130.88, 172.79 | 70.38, 81.05 | -105.81, 20.52 | 305.57, 94.51 | -64.31, -26.67 | in-out | in | 8.4879 | Saltbr-out | 4.6811 | HRD-in | -80.85, -51.58 | 75.47, 1.68 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8054 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.31, 153.05 | APE9-dihe-na | 140.98, -178.81 | APE8-dihe-in | -101.12, 113.96 | APE8-rot-in | 309.17 | APE67-dihe-in | -64.74, -14.89 | -58.96, -36.24 | APE12-dist-in | 10.1507 | APE11-dist-in | 11.959 | APE10-dist-in | 7.0419 | APE9-dist-in | 4.5456 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.168 | 0.207 | D | 303.0 | 296.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 6mom | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.2e-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 |
|---|