| 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 | 8V2LA | Q9NWZ3 | 164 | 459 | 460.0 | YK0:501 | Type1 | Inactive | DFGin | 6.6037 | 13.4056 | BLAminus | -121.21, 172.86 | 64.77, 85.79 | -107.22, 18.27 | 310.33, 96.01 | -58.61, -41.96 | in-out | in | 8.0401 | Saltbr-out | 4.2802 | HRD-in | -62.46, -51.84 | 78.02, 3.1 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6112 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.97, 166.5 | APE9-dihe-na | 120.32, -177.29 | APE8-dihe-in | -108.05, 112.93 | APE8-rot-in | 310.64 | APE67-dihe-in | -64.75, -16.58 | -36.82, -53.61 | APE12-dist-in | 9.3452 | APE11-dist-in | 11.3313 | APE10-dist-in | 5.8782 | APE9-dist-in | 3.2645 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.43 | 0.255 | 0.302 | A | 327.0 | 291.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8v2l | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2LB | Q9NWZ3 | 163 | 459 | 460.0 | YK0:501 | Type1 | Inactive | DFGin | 6.6197 | 13.3492 | BLAminus | -120.96, 172.67 | 64.91, 85.77 | -106.56, 17.9 | 310.1, 96.45 | -58.62, -41.82 | in-out | in | 7.9848 | Saltbr-out | 3.8758 | HRD-in | -62.59, -51.36 | 77.4, 3.79 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6128 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.09, 166.75 | APE9-dihe-na | 122.3, -175.29 | APE8-dihe-in | -107.71, 112.62 | APE8-rot-in | 309.44 | APE67-dihe-in | -64.15, -17.62 | -36.19, -53.73 | APE12-dist-in | 9.2748 | APE11-dist-in | 11.2494 | APE10-dist-in | 5.7935 | APE9-dist-in | 3.2243 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.43 | 0.255 | 0.302 | B | 327.0 | 292.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8v2l | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2LC | Q9NWZ3 | 164 | 459 | 460.0 | YK0:501 | Type1 | Inactive | DFGin | 6.5519 | 13.5417 | BLAminus | -121.25, 173.26 | 64.05, 86.32 | -106.85, 17.63 | 309.75, 95.82 | -58.65, -40.64 | in-out | in | 7.9726 | Saltbr-out | 3.8686 | HRD-in | -62.33, -51.39 | 77.94, 3.4 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.607 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.03, 167.23 | APE9-dihe-na | 120.49, -177.04 | APE8-dihe-in | -107.34, 112.53 | APE8-rot-in | 310.89 | APE67-dihe-in | -65.65, -16.07 | -36.38, -53.95 | APE12-dist-in | 9.2763 | APE11-dist-in | 11.2987 | APE10-dist-in | 5.8444 | APE9-dist-in | 3.232 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.43 | 0.255 | 0.302 | C | 327.0 | 291.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8v2l | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2LD | Q9NWZ3 | 164 | 459 | 460.0 | YK0:501 | Type1 | Inactive | DFGin | 6.5695 | 13.4784 | BLAminus | -121.17, 172.07 | 65.62, 86.14 | -107.29, 16.86 | 310.43, 82.27 | -58.81, -41.47 | in-out | in | 7.8793 | Saltbr-out | 3.8558 | HRD-in | -62.38, -51.53 | 78.2, 3.12 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6133 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.11, 167.04 | APE9-dihe-na | 120.53, -178.59 | APE8-dihe-in | -107.42, 112.59 | APE8-rot-in | 311.17 | APE67-dihe-in | -65.49, -16.09 | -36.28, -53.87 | APE12-dist-in | 9.5025 | APE11-dist-in | 11.3431 | APE10-dist-in | 5.9014 | APE9-dist-in | 3.2603 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.43 | 0.255 | 0.302 | D | 327.0 | 291.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8v2l | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2LA | Q9NWZ3 | 164 | 459 | 460.0 | YK0:501 | Type1 | Inactive | DFGin | 6.6037 | 13.4056 | BLAminus | -121.21, 172.86 | 64.77, 85.79 | -107.22, 18.27 | 310.33, 96.01 | -58.61, -41.96 | in-out | in | 8.0401 | Saltbr-out | 4.2802 | HRD-in | -62.46, -51.84 | 78.02, 3.1 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6112 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.97, 166.5 | APE9-dihe-na | 120.32, -177.29 | APE8-dihe-in | -108.05, 112.93 | APE8-rot-in | 310.64 | APE67-dihe-in | -64.75, -16.58 | -36.82, -53.61 | APE12-dist-in | 9.3452 | APE11-dist-in | 11.3313 | APE10-dist-in | 5.8782 | APE9-dist-in | 3.2645 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.43 | 0.255 | 0.302 | A | 327.0 | 291.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8v2l | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2LB | Q9NWZ3 | 163 | 459 | 460.0 | YK0:501 | Type1 | Inactive | DFGin | 6.6197 | 13.3492 | BLAminus | -120.96, 172.67 | 64.91, 85.77 | -106.56, 17.9 | 310.1, 96.45 | -58.62, -41.82 | in-out | in | 7.9848 | Saltbr-out | 3.8758 | HRD-in | -62.59, -51.36 | 77.4, 3.79 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6128 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.09, 166.75 | APE9-dihe-na | 122.3, -175.29 | APE8-dihe-in | -107.71, 112.62 | APE8-rot-in | 309.44 | APE67-dihe-in | -64.15, -17.62 | -36.19, -53.73 | APE12-dist-in | 9.2748 | APE11-dist-in | 11.2494 | APE10-dist-in | 5.7935 | APE9-dist-in | 3.2243 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.43 | 0.255 | 0.302 | B | 327.0 | 292.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8v2l | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2LC | Q9NWZ3 | 164 | 459 | 460.0 | YK0:501 | Type1 | Inactive | DFGin | 6.5519 | 13.5417 | BLAminus | -121.25, 173.26 | 64.05, 86.32 | -106.85, 17.63 | 309.75, 95.82 | -58.65, -40.64 | in-out | in | 7.9726 | Saltbr-out | 3.8686 | HRD-in | -62.33, -51.39 | 77.94, 3.4 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.607 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.03, 167.23 | APE9-dihe-na | 120.49, -177.04 | APE8-dihe-in | -107.34, 112.53 | APE8-rot-in | 310.89 | APE67-dihe-in | -65.65, -16.07 | -36.38, -53.95 | APE12-dist-in | 9.2763 | APE11-dist-in | 11.2987 | APE10-dist-in | 5.8444 | APE9-dist-in | 3.232 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.43 | 0.255 | 0.302 | C | 327.0 | 291.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8v2l | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 | 8V2LD | Q9NWZ3 | 164 | 459 | 460.0 | YK0:501 | Type1 | Inactive | DFGin | 6.5695 | 13.4784 | BLAminus | -121.17, 172.07 | 65.62, 86.14 | -107.29, 16.86 | 310.43, 82.27 | -58.81, -41.47 | in-out | in | 7.8793 | Saltbr-out | 3.8558 | HRD-in | -62.38, -51.53 | 78.2, 3.12 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6133 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.11, 167.04 | APE9-dihe-na | 120.53, -178.59 | APE8-dihe-in | -107.42, 112.59 | APE8-rot-in | 311.17 | APE67-dihe-in | -65.49, -16.09 | -36.28, -53.87 | APE12-dist-in | 9.5025 | APE11-dist-in | 11.3431 | APE10-dist-in | 5.9014 | APE9-dist-in | 3.2603 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.43 | 0.255 | 0.302 | D | 327.0 | 291.0 | 5 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8v2l | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.5e-84 | 287.8 | 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 |
|---|