| 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 | 8TVMA | Q9NWZ3 | 164 | 459 | 460.0 | VDC:501 | Type1 | Inactive | DFGin | 7.0501 | 14.4498 | BLAminus | -132.18, 174.07 | 62.0, 72.94 | -94.59, 26.48 | 308.28, 71.42 | -66.42, -36.15 | in-out | in | 9.0051 | Saltbr-out | 4.39 | HRD-in | -66.24, -53.38 | 76.43, -3.48 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6755 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.69, 149.04 | APE9-dihe-na | 147.68, -173.36 | APE8-dihe-in | -109.64, 107.78 | APE8-rot-in | 317.11 | APE67-dihe-in | -64.75, -17.49 | -53.67, -37.13 | APE12-dist-in | 9.854 | APE11-dist-in | 11.9108 | APE10-dist-in | 6.7173 | APE9-dist-in | 4.1363 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.223 | 0.246 | A | 307.0 | 287.0 | 9 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8tvm | 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 | 8TVMB | Q9NWZ3 | 164 | 459 | 460.0 | VDC:501 | Type1 | Active | DFGin | 6.7569 | 13.5478 | BLAminus | -140.59, 174.72 | 61.77, 69.23 | -90.22, 25.09 | 318.9, 80.9 | -70.23, -27.26 | in-in | in | 8.9524 | Saltbr-in | 3.5122 | HRD-in | -71.78, -55.46 | 78.6, -2.38 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.898 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.68, 151.46 | APE9-dihe-na | 150.0, -172.63 | APE8-dihe-in | -105.17, 113.19 | APE8-rot-in | 324.78 | APE67-dihe-in | -64.51, -17.83 | -60.0, -33.31 | APE12-dist-in | 10.1836 | APE11-dist-in | 11.6186 | APE10-dist-in | 6.722 | APE9-dist-in | 4.1456 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.223 | 0.246 | B | 307.0 | 289.0 | 7 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8tvm | 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 | 8TVMC | Q9NWZ3 | 160 | 458 | 460.0 | VDC:501 | Type1 | None | DFGin | 6.907 | 14.6736 | BLAminus | -124.23, 176.14 | 60.41, 68.85 | -88.16, 21.88 | 308.01, 97.71 | -66.33, -43.48 | in-none | in | 8.8732 | Saltbr-none | 999.0 | HRD-in | -71.38, -49.64 | 77.01, -7.35 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.6838 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.63, 156.99 | APE9-dihe-na | 140.7, -171.01 | APE8-dihe-in | -113.25, 123.93 | APE8-rot-in | 312.17 | APE67-dihe-in | -64.66, -21.4 | -62.46, -37.14 | APE12-dist-in | 9.7991 | APE11-dist-in | 11.1869 | APE10-dist-in | 6.2459 | APE9-dist-in | 3.9943 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.223 | 0.246 | C | 307.0 | 281.0 | 18 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8tvm | 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 | 8TVMD | Q9NWZ3 | 164 | 459 | 460.0 | VDC:501 | Type1 | Inactive | DFGin | 7.8031 | 14.7146 | None | -126.76, 170.55 | 55.84, 64.27 | -89.21, 999.0 | 333.58, 116.07 | 999.0, 999.0 | in-out | in | 9.0975 | Saltbr-out | 4.7491 | HRD-in | -67.23, -50.36 | 76.24, -8.64 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnni | APE10-dihe-na | -109.51, 116.74 | APE9-dihe-na | 179.74, -172.21 | APE8-dihe-in | -111.79, 118.52 | APE8-rot-out | 41.22 | APE67-dihe-in | -67.21, -19.62 | -56.37, -42.77 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-in | 4.276 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.223 | 0.246 | D | 307.0 | 277.0 | 19 | 30 | 19 | 11 | [[183, 456]] | 1.0 | 8tvm | 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 | 8TVMA | Q9NWZ3 | 164 | 459 | 460.0 | VDC:501 | Type1 | Inactive | DFGin | 7.0501 | 14.4498 | BLAminus | -132.18, 174.07 | 62.0, 72.94 | -94.59, 26.48 | 308.28, 71.42 | -66.42, -36.15 | in-out | in | 9.0051 | Saltbr-out | 4.39 | HRD-in | -66.24, -53.38 | 76.43, -3.48 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6755 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.69, 149.04 | APE9-dihe-na | 147.68, -173.36 | APE8-dihe-in | -109.64, 107.78 | APE8-rot-in | 317.11 | APE67-dihe-in | -64.75, -17.49 | -53.67, -37.13 | APE12-dist-in | 9.854 | APE11-dist-in | 11.9108 | APE10-dist-in | 6.7173 | APE9-dist-in | 4.1363 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.223 | 0.246 | A | 307.0 | 287.0 | 9 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8tvm | 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 | 8TVMB | Q9NWZ3 | 164 | 459 | 460.0 | VDC:501 | Type1 | Active | DFGin | 6.7569 | 13.5478 | BLAminus | -140.59, 174.72 | 61.77, 69.23 | -90.22, 25.09 | 318.9, 80.9 | -70.23, -27.26 | in-in | in | 8.9524 | Saltbr-in | 3.5122 | HRD-in | -71.78, -55.46 | 78.6, -2.38 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.898 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.68, 151.46 | APE9-dihe-na | 150.0, -172.63 | APE8-dihe-in | -105.17, 113.19 | APE8-rot-in | 324.78 | APE67-dihe-in | -64.51, -17.83 | -60.0, -33.31 | APE12-dist-in | 10.1836 | APE11-dist-in | 11.6186 | APE10-dist-in | 6.722 | APE9-dist-in | 4.1456 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.223 | 0.246 | B | 307.0 | 289.0 | 7 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8tvm | 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 | 8TVMC | Q9NWZ3 | 160 | 458 | 460.0 | VDC:501 | Type1 | None | DFGin | 6.907 | 14.6736 | BLAminus | -124.23, 176.14 | 60.41, 68.85 | -88.16, 21.88 | 308.01, 97.71 | -66.33, -43.48 | in-none | in | 8.8732 | Saltbr-none | 999.0 | HRD-in | -71.38, -49.64 | 77.01, -7.35 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.6838 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.63, 156.99 | APE9-dihe-na | 140.7, -171.01 | APE8-dihe-in | -113.25, 123.93 | APE8-rot-in | 312.17 | APE67-dihe-in | -64.66, -21.4 | -62.46, -37.14 | APE12-dist-in | 9.7991 | APE11-dist-in | 11.1869 | APE10-dist-in | 6.2459 | APE9-dist-in | 3.9943 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.223 | 0.246 | C | 307.0 | 281.0 | 18 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 8tvm | 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 | 8TVMD | Q9NWZ3 | 164 | 459 | 460.0 | VDC:501 | Type1 | Inactive | DFGin | 7.8031 | 14.7146 | None | -126.76, 170.55 | 55.84, 64.27 | -89.21, 999.0 | 333.58, 116.07 | 999.0, 999.0 | in-out | in | 9.0975 | Saltbr-out | 4.7491 | HRD-in | -67.23, -50.36 | 76.24, -8.64 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnni | APE10-dihe-na | -109.51, 116.74 | APE9-dihe-na | 179.74, -172.21 | APE8-dihe-in | -111.79, 118.52 | APE8-rot-out | 41.22 | APE67-dihe-in | -67.21, -19.62 | -56.37, -42.77 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-in | 4.276 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.1 | 0.223 | 0.246 | D | 307.0 | 277.0 | 19 | 30 | 19 | 11 | [[183, 456]] | 1.0 | 8tvm | 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 |
|---|