| 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 | 6O9DA | Q9NWZ3 | 162 | 458 | 460.0 | LTY:501 | Type1 | Inactive | DFGin | 6.7066 | 14.4556 | BLAminus | -127.76, -176.84 | 57.79, 87.99 | -106.68, 3.04 | 297.04, 103.76 | -53.04, -31.02 | in-out | in | 8.3352 | Saltbr-out | 3.6179 | HRD-in | -61.91, -55.52 | 80.82, -6.22 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7956 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.17, 155.38 | APE9-dihe-na | 127.36, -176.8 | APE8-dihe-in | -102.61, 119.68 | APE8-rot-in | 323.19 | APE67-dihe-in | -59.01, -22.88 | -47.44, -49.99 | APE12-dist-in | 9.9006 | APE11-dist-in | 11.5992 | APE10-dist-in | 6.2466 | APE9-dist-in | 3.9113 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.51 | 0.197 | 0.239 | A | 320.0 | 286.0 | 11 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6o9d | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O9DB | Q9NWZ3 | 163 | 458 | 460.0 | LTY:501 | Type1 | Inactive | DFGin | 7.0573 | 13.9514 | BLAminus | -143.03, -179.16 | 58.94, 82.95 | -104.14, 17.08 | 307.96, 103.48 | -62.26, -32.09 | in-out | in | 8.6875 | Saltbr-out | 4.2071 | HRD-in | -62.85, -48.11 | 75.04, -10.08 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9311 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -116.13, 158.27 | APE9-dihe-na | 134.69, -173.08 | APE8-dihe-in | -118.39, 112.91 | APE8-rot-in | 312.26 | APE67-dihe-in | -64.54, -21.64 | -47.5, -39.01 | APE12-dist-in | 10.1336 | APE11-dist-in | 11.7619 | APE10-dist-in | 6.3028 | APE9-dist-in | 4.0783 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.51 | 0.197 | 0.239 | B | 320.0 | 284.0 | 12 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6o9d | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O9DC | Q9NWZ3 | 163 | 458 | 460.0 | LTY:501 | Type1 | Active | DFGin | 6.9212 | 14.0549 | BLAminus | -144.04, 172.46 | 65.41, 89.1 | -109.46, 16.79 | 309.79, 96.88 | -60.57, -25.46 | in-in | in | 8.6382 | Saltbr-in | 3.2434 | HRD-in | -67.13, -59.39 | 84.36, 2.8 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9172 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.08, 166.4 | APE9-dihe-na | 121.39, -170.65 | APE8-dihe-in | -111.39, 114.64 | APE8-rot-in | 323.79 | APE67-dihe-in | -65.1, -19.0 | -57.03, -32.94 | APE12-dist-in | 10.0662 | APE11-dist-in | 11.8362 | APE10-dist-in | 6.5389 | APE9-dist-in | 4.0321 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.51 | 0.197 | 0.239 | C | 320.0 | 283.0 | 13 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6o9d | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O9DD | Q9NWZ3 | 164 | 458 | 460.0 | LTY:501 | Type1 | Inactive | DFGin | 6.8994 | 14.3177 | BLAminus | -134.66, 178.58 | 59.54, 82.94 | -104.76, 14.4 | 302.36, 96.51 | -59.1, -33.56 | in-out | in | 8.7304 | Saltbr-out | 4.0778 | HRD-in | -68.8, -51.26 | 82.92, -3.16 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7865 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -114.38, 156.72 | APE9-dihe-na | 130.79, 174.85 | APE8-dihe-in | -97.61, 110.6 | APE8-rot-in | 318.14 | APE67-dihe-in | -67.31, -17.64 | -49.18, -44.21 | APE12-dist-in | 10.2848 | APE11-dist-in | 11.7694 | APE10-dist-in | 6.4018 | APE9-dist-in | 4.2439 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.51 | 0.197 | 0.239 | D | 320.0 | 284.0 | 11 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 6o9d | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O9DA | Q9NWZ3 | 162 | 458 | 460.0 | LTY:501 | Type1 | Inactive | DFGin | 6.7066 | 14.4556 | BLAminus | -127.76, -176.84 | 57.79, 87.99 | -106.68, 3.04 | 297.04, 103.76 | -53.04, -31.02 | in-out | in | 8.3352 | Saltbr-out | 3.6179 | HRD-in | -61.91, -55.52 | 80.82, -6.22 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7956 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.17, 155.38 | APE9-dihe-na | 127.36, -176.8 | APE8-dihe-in | -102.61, 119.68 | APE8-rot-in | 323.19 | APE67-dihe-in | -59.01, -22.88 | -47.44, -49.99 | APE12-dist-in | 9.9006 | APE11-dist-in | 11.5992 | APE10-dist-in | 6.2466 | APE9-dist-in | 3.9113 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.51 | 0.197 | 0.239 | A | 320.0 | 286.0 | 11 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6o9d | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O9DB | Q9NWZ3 | 163 | 458 | 460.0 | LTY:501 | Type1 | Inactive | DFGin | 7.0573 | 13.9514 | BLAminus | -143.03, -179.16 | 58.94, 82.95 | -104.14, 17.08 | 307.96, 103.48 | -62.26, -32.09 | in-out | in | 8.6875 | Saltbr-out | 4.2071 | HRD-in | -62.85, -48.11 | 75.04, -10.08 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9311 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -116.13, 158.27 | APE9-dihe-na | 134.69, -173.08 | APE8-dihe-in | -118.39, 112.91 | APE8-rot-in | 312.26 | APE67-dihe-in | -64.54, -21.64 | -47.5, -39.01 | APE12-dist-in | 10.1336 | APE11-dist-in | 11.7619 | APE10-dist-in | 6.3028 | APE9-dist-in | 4.0783 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.51 | 0.197 | 0.239 | B | 320.0 | 284.0 | 12 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6o9d | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O9DC | Q9NWZ3 | 163 | 458 | 460.0 | LTY:501 | Type1 | Active | DFGin | 6.9212 | 14.0549 | BLAminus | -144.04, 172.46 | 65.41, 89.1 | -109.46, 16.79 | 309.79, 96.88 | -60.57, -25.46 | in-in | in | 8.6382 | Saltbr-in | 3.2434 | HRD-in | -67.13, -59.39 | 84.36, 2.8 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9172 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.08, 166.4 | APE9-dihe-na | 121.39, -170.65 | APE8-dihe-in | -111.39, 114.64 | APE8-rot-in | 323.79 | APE67-dihe-in | -65.1, -19.0 | -57.03, -32.94 | APE12-dist-in | 10.0662 | APE11-dist-in | 11.8362 | APE10-dist-in | 6.5389 | APE9-dist-in | 4.0321 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.51 | 0.197 | 0.239 | C | 320.0 | 283.0 | 13 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6o9d | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O9DD | Q9NWZ3 | 164 | 458 | 460.0 | LTY:501 | Type1 | Inactive | DFGin | 6.8994 | 14.3177 | BLAminus | -134.66, 178.58 | 59.54, 82.94 | -104.76, 14.4 | 302.36, 96.51 | -59.1, -33.56 | in-out | in | 8.7304 | Saltbr-out | 4.0778 | HRD-in | -68.8, -51.26 | 82.92, -3.16 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7865 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -114.38, 156.72 | APE9-dihe-na | 130.79, 174.85 | APE8-dihe-in | -97.61, 110.6 | APE8-rot-in | 318.14 | APE67-dihe-in | -67.31, -17.64 | -49.18, -44.21 | APE12-dist-in | 10.2848 | APE11-dist-in | 11.7694 | APE10-dist-in | 6.4018 | APE9-dist-in | 4.2439 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.51 | 0.197 | 0.239 | D | 320.0 | 284.0 | 11 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 6o9d | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 |
|---|