| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | MAPK14 | MK14_HUMAN | 5N66A | Q16539 | 6 | 353 | 360.0 | BW1:401,B96:402 | Allosteric,Type2 | Inactive | DFGout | 15.2968 | 8.4235 | None | -139.77, 175.86 | -130.8, 80.71 | -75.53, 999.0 | 203.45, 0.89 | 999.0, 999.0 | in-in | in | 9.3082 | Saltbr-in | 3.0902 | HRD-in | -75.99, -50.95 | 71.47, -11.96 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | 999.0, 102.5 | APE9-dihe-na | -77.27, 137.11 | APE8-dihe-out | -68.28, -33.89 | APE8-rot-in | 297.4 | APE67-dihe-in | -63.75, -24.17 | -62.85, -21.89 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.8031 | None | None | None | XRAY | 2.4 | 0.208 | 0.238 | A | 360.0 | 332.0 | 16 | 25 | 12 | 13 | [[24, 308]] | 1.0 | 5n66 | CMGC_MAPK14_HUMAN | CMGC | 5.9e-85 | 291.1 | 1.0 | 301.0 | 301.0 | 167 | 168 | 169 | 171 | 173 | 53 | 71 | 75 | 147 | 149 | 148 | 150.0 | 205 | 192 | 187 | 186 | 185 | 184 | 183 | 182 | 181 | 107 | Mitogen-activated protein kinase 14 |
| TKL | IRAK4 | IRAK4_HUMAN | 9NA4A | Q9NWZ3 | 164 | 459 | 460.0 | A1BW1:501 | Type1 | Active | DFGin | 6.8128 | 14.3101 | BLAminus | -127.38, -174.41 | 53.31, 76.49 | -96.02, 23.68 | 303.26, 85.02 | -73.65, -19.1 | in-in | in | 8.8284 | Saltbr-in | 2.8811 | HRD-in | -71.63, -47.62 | 74.26, 11.21 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7297 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.51, 136.05 | APE9-dihe-na | 160.84, -170.21 | APE8-dihe-in | -108.63, 109.57 | APE8-rot-in | 307.2 | APE67-dihe-in | -69.94, -9.11 | -50.47, -38.9 | APE12-dist-in | 9.7732 | APE11-dist-in | 11.7326 | APE10-dist-in | 6.7006 | APE9-dist-in | 4.1292 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.33 | 0.227 | 0.273 | A | 304.0 | 283.0 | 13 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9na4 | 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 | 9NA4B | Q9NWZ3 | 164 | 459 | 460.0 | A1BW1:501 | Type1 | Active | DFGin | 6.8953 | 14.2573 | BLAminus | -128.47, -178.23 | 58.06, 81.63 | -102.84, 25.74 | 297.67, 81.88 | -71.22, -28.21 | in-in | in | 8.905 | Saltbr-in | 3.1288 | HRD-in | -72.71, -43.84 | 74.71, -2.67 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7416 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.53, 162.66 | APE9-dihe-na | 130.06, -172.53 | APE8-dihe-in | -106.79, 115.27 | APE8-rot-in | 294.12 | APE67-dihe-in | -66.46, -17.91 | -59.45, -33.75 | APE12-dist-in | 9.8798 | APE11-dist-in | 11.3984 | APE10-dist-in | 6.504 | APE9-dist-in | 4.2936 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.33 | 0.227 | 0.273 | B | 304.0 | 283.0 | 13 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9na4 | 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 | 9NA4C | Q9NWZ3 | 164 | 459 | 460.0 | A1BW1:501 | Type1 | Active | DFGin | 6.8619 | 13.9119 | BLAminus | -133.2, 178.13 | 56.03, 83.33 | -103.05, 20.53 | 303.74, 87.67 | -66.4, -20.44 | in-in | in | 8.9563 | Saltbr-in | 2.982 | HRD-in | -79.23, -52.87 | 78.53, 5.04 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7295 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -140.71, 151.98 | APE9-dihe-na | 136.82, -178.5 | APE8-dihe-in | -102.72, 112.21 | APE8-rot-in | 308.82 | APE67-dihe-in | -65.51, -14.62 | -58.09, -34.11 | APE12-dist-in | 10.1177 | APE11-dist-in | 11.7744 | APE10-dist-in | 6.7322 | APE9-dist-in | 4.3722 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.33 | 0.227 | 0.273 | C | 304.0 | 285.0 | 11 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9na4 | 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 | 9NA4D | Q9NWZ3 | 165 | 459 | 460.0 | A1BW1:501 | Type1 | Active | DFGin | 6.9821 | 14.1652 | BLAminus | -128.79, -176.45 | 53.3, 89.86 | -110.92, 19.74 | 296.14, 90.51 | -74.91, -26.5 | in-in | in | 8.9318 | Saltbr-in | 2.6587 | HRD-in | -78.81, -47.02 | 77.11, -5.8 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7715 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.58, 166.79 | APE9-dihe-na | 117.7, -160.99 | APE8-dihe-in | -116.5, 117.73 | APE8-rot-in | 325.76 | APE67-dihe-in | -62.89, -19.72 | -54.11, -37.62 | APE12-dist-in | 10.066 | APE11-dist-in | 11.5289 | APE10-dist-in | 6.5058 | APE9-dist-in | 4.3708 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.33 | 0.227 | 0.273 | D | 304.0 | 284.0 | 11 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9na4 | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | MAPK14 | MK14_HUMAN | 5N66A | Q16539 | 6 | 353 | 360.0 | BW1:401,B96:402 | Allosteric,Type2 | Inactive | DFGout | 15.2968 | 8.4235 | None | -139.77, 175.86 | -130.8, 80.71 | -75.53, 999.0 | 203.45, 0.89 | 999.0, 999.0 | in-in | in | 9.3082 | Saltbr-in | 3.0902 | HRD-in | -75.99, -50.95 | 71.47, -11.96 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | 999.0, 102.5 | APE9-dihe-na | -77.27, 137.11 | APE8-dihe-out | -68.28, -33.89 | APE8-rot-in | 297.4 | APE67-dihe-in | -63.75, -24.17 | -62.85, -21.89 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.8031 | None | None | None | XRAY | 2.4 | 0.208 | 0.238 | A | 360.0 | 332.0 | 16 | 25 | 12 | 13 | [[24, 308]] | 1.0 | 5n66 | Homo sapiens | CMGC_MAPK14_HUMAN | CMGC | 5.9e-85 | 291.1 | 1.0 | 301.0 | 301.0 | 167 | 168 | 169 | 171 | 173 | 53 | 71 | 75 | 147 | 149 | 148 | 150.0 | 205 | 192 | 187 | 186 | 185 | 184 | 183 | 182 | 181 | 107 | Mitogen-activated protein kinase 14 |
| TKL | IRAK4 | IRAK4_HUMAN | 9NA4A | Q9NWZ3 | 164 | 459 | 460.0 | A1BW1:501 | Type1 | Active | DFGin | 6.8128 | 14.3101 | BLAminus | -127.38, -174.41 | 53.31, 76.49 | -96.02, 23.68 | 303.26, 85.02 | -73.65, -19.1 | in-in | in | 8.8284 | Saltbr-in | 2.8811 | HRD-in | -71.63, -47.62 | 74.26, 11.21 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7297 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.51, 136.05 | APE9-dihe-na | 160.84, -170.21 | APE8-dihe-in | -108.63, 109.57 | APE8-rot-in | 307.2 | APE67-dihe-in | -69.94, -9.11 | -50.47, -38.9 | APE12-dist-in | 9.7732 | APE11-dist-in | 11.7326 | APE10-dist-in | 6.7006 | APE9-dist-in | 4.1292 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.33 | 0.227 | 0.273 | A | 304.0 | 283.0 | 13 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9na4 | 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 | 9NA4B | Q9NWZ3 | 164 | 459 | 460.0 | A1BW1:501 | Type1 | Active | DFGin | 6.8953 | 14.2573 | BLAminus | -128.47, -178.23 | 58.06, 81.63 | -102.84, 25.74 | 297.67, 81.88 | -71.22, -28.21 | in-in | in | 8.905 | Saltbr-in | 3.1288 | HRD-in | -72.71, -43.84 | 74.71, -2.67 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7416 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.53, 162.66 | APE9-dihe-na | 130.06, -172.53 | APE8-dihe-in | -106.79, 115.27 | APE8-rot-in | 294.12 | APE67-dihe-in | -66.46, -17.91 | -59.45, -33.75 | APE12-dist-in | 9.8798 | APE11-dist-in | 11.3984 | APE10-dist-in | 6.504 | APE9-dist-in | 4.2936 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.33 | 0.227 | 0.273 | B | 304.0 | 283.0 | 13 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9na4 | 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 | 9NA4C | Q9NWZ3 | 164 | 459 | 460.0 | A1BW1:501 | Type1 | Active | DFGin | 6.8619 | 13.9119 | BLAminus | -133.2, 178.13 | 56.03, 83.33 | -103.05, 20.53 | 303.74, 87.67 | -66.4, -20.44 | in-in | in | 8.9563 | Saltbr-in | 2.982 | HRD-in | -79.23, -52.87 | 78.53, 5.04 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7295 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -140.71, 151.98 | APE9-dihe-na | 136.82, -178.5 | APE8-dihe-in | -102.72, 112.21 | APE8-rot-in | 308.82 | APE67-dihe-in | -65.51, -14.62 | -58.09, -34.11 | APE12-dist-in | 10.1177 | APE11-dist-in | 11.7744 | APE10-dist-in | 6.7322 | APE9-dist-in | 4.3722 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.33 | 0.227 | 0.273 | C | 304.0 | 285.0 | 11 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9na4 | 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 | 9NA4D | Q9NWZ3 | 165 | 459 | 460.0 | A1BW1:501 | Type1 | Active | DFGin | 6.9821 | 14.1652 | BLAminus | -128.79, -176.45 | 53.3, 89.86 | -110.92, 19.74 | 296.14, 90.51 | -74.91, -26.5 | in-in | in | 8.9318 | Saltbr-in | 2.6587 | HRD-in | -78.81, -47.02 | 77.11, -5.8 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7715 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.58, 166.79 | APE9-dihe-na | 117.7, -160.99 | APE8-dihe-in | -116.5, 117.73 | APE8-rot-in | 325.76 | APE67-dihe-in | -62.89, -19.72 | -54.11, -37.62 | APE12-dist-in | 10.066 | APE11-dist-in | 11.5289 | APE10-dist-in | 6.5058 | APE9-dist-in | 4.3708 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.33 | 0.227 | 0.273 | D | 304.0 | 284.0 | 11 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9na4 | 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 |
|---|