| 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 | 5UIQA | Q9NWZ3 | 164 | 459 | 460.0 | 8BV:501 | Type1 | Inactive | DFGin | 6.9307 | 14.3095 | BLAminus | -127.76, 177.14 | 59.33, 95.8 | -119.34, 15.89 | 308.77, 95.83 | -65.11, -29.47 | in-out | in | 8.6504 | Saltbr-out | 4.3022 | HRD-in | -67.28, -50.5 | 79.56, -0.59 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.805 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.14, 152.7 | APE9-dihe-na | 138.15, -166.94 | APE8-dihe-in | -116.13, 111.27 | APE8-rot-in | 312.43 | APE67-dihe-in | -63.93, -18.01 | -42.44, -46.16 | APE12-dist-in | 9.8691 | APE11-dist-in | 11.872 | APE10-dist-in | 6.4418 | APE9-dist-in | 3.9304 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.64 | 0.199 | 0.226 | A | 323.0 | 271.0 | 25 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 5uiq | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UIQB | Q9NWZ3 | 164 | 458 | 460.0 | 8BV:501 | Type1 | Inactive | DFGin | 6.8044 | 14.3759 | BLAminus | -130.56, -176.5 | 54.94, 94.68 | -118.91, 16.72 | 307.57, 95.93 | -64.01, -29.62 | in-out | in | 8.8285 | Saltbr-out | 4.3856 | HRD-in | -70.9, -49.5 | 78.92, -1.32 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8073 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.36, 153.22 | APE9-dihe-na | 140.63, -165.78 | APE8-dihe-in | -116.87, 110.95 | APE8-rot-in | 311.97 | APE67-dihe-in | -63.22, -18.39 | -42.29, -46.59 | APE12-dist-in | 9.9707 | APE11-dist-in | 11.8372 | APE10-dist-in | 6.4033 | APE9-dist-in | 3.9043 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.64 | 0.199 | 0.226 | B | 323.0 | 275.0 | 20 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 5uiq | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UIQC | Q9NWZ3 | 164 | 458 | 460.0 | 8BV:501 | Type1 | Inactive | DFGin | 6.9897 | 14.0885 | BLAminus | -129.3, 173.99 | 64.73, 91.59 | -115.5, 16.73 | 307.85, 97.93 | -64.38, -30.3 | in-out | in | 8.7851 | Saltbr-out | 4.4015 | HRD-in | -65.88, -50.65 | 76.92, 0.42 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7926 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.19, 152.87 | APE9-dihe-na | 139.13, -167.26 | APE8-dihe-in | -115.65, 111.65 | APE8-rot-in | 310.37 | APE67-dihe-in | -63.01, -19.88 | -42.68, -46.48 | APE12-dist-in | 9.6424 | APE11-dist-in | 11.8309 | APE10-dist-in | 6.3933 | APE9-dist-in | 3.8996 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.64 | 0.199 | 0.226 | C | 323.0 | 283.0 | 12 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 5uiq | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UIQD | Q9NWZ3 | 164 | 458 | 460.0 | 8BV:501 | Type1 | Inactive | DFGin | 6.9589 | 14.2657 | BLAminus | -119.1, 174.77 | 64.33, 95.9 | -120.23, 16.26 | 309.43, 94.98 | -65.41, -29.0 | in-out | in | 8.6314 | Saltbr-out | 4.2615 | HRD-in | -57.37, -47.98 | 74.72, -2.81 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9316 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.96, 150.91 | APE9-dihe-na | 138.88, -168.68 | APE8-dihe-in | -114.25, 111.41 | APE8-rot-in | 310.92 | APE67-dihe-in | -61.78, -19.41 | -45.33, -46.22 | APE12-dist-in | 9.6136 | APE11-dist-in | 11.7923 | APE10-dist-in | 6.3731 | APE9-dist-in | 3.99 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.64 | 0.199 | 0.226 | D | 323.0 | 274.0 | 21 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 5uiq | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UIQA | Q9NWZ3 | 164 | 459 | 460.0 | 8BV:501 | Type1 | Inactive | DFGin | 6.9307 | 14.3095 | BLAminus | -127.76, 177.14 | 59.33, 95.8 | -119.34, 15.89 | 308.77, 95.83 | -65.11, -29.47 | in-out | in | 8.6504 | Saltbr-out | 4.3022 | HRD-in | -67.28, -50.5 | 79.56, -0.59 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.805 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.14, 152.7 | APE9-dihe-na | 138.15, -166.94 | APE8-dihe-in | -116.13, 111.27 | APE8-rot-in | 312.43 | APE67-dihe-in | -63.93, -18.01 | -42.44, -46.16 | APE12-dist-in | 9.8691 | APE11-dist-in | 11.872 | APE10-dist-in | 6.4418 | APE9-dist-in | 3.9304 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.64 | 0.199 | 0.226 | A | 323.0 | 271.0 | 25 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 5uiq | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UIQB | Q9NWZ3 | 164 | 458 | 460.0 | 8BV:501 | Type1 | Inactive | DFGin | 6.8044 | 14.3759 | BLAminus | -130.56, -176.5 | 54.94, 94.68 | -118.91, 16.72 | 307.57, 95.93 | -64.01, -29.62 | in-out | in | 8.8285 | Saltbr-out | 4.3856 | HRD-in | -70.9, -49.5 | 78.92, -1.32 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8073 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.36, 153.22 | APE9-dihe-na | 140.63, -165.78 | APE8-dihe-in | -116.87, 110.95 | APE8-rot-in | 311.97 | APE67-dihe-in | -63.22, -18.39 | -42.29, -46.59 | APE12-dist-in | 9.9707 | APE11-dist-in | 11.8372 | APE10-dist-in | 6.4033 | APE9-dist-in | 3.9043 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.64 | 0.199 | 0.226 | B | 323.0 | 275.0 | 20 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 5uiq | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UIQC | Q9NWZ3 | 164 | 458 | 460.0 | 8BV:501 | Type1 | Inactive | DFGin | 6.9897 | 14.0885 | BLAminus | -129.3, 173.99 | 64.73, 91.59 | -115.5, 16.73 | 307.85, 97.93 | -64.38, -30.3 | in-out | in | 8.7851 | Saltbr-out | 4.4015 | HRD-in | -65.88, -50.65 | 76.92, 0.42 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7926 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.19, 152.87 | APE9-dihe-na | 139.13, -167.26 | APE8-dihe-in | -115.65, 111.65 | APE8-rot-in | 310.37 | APE67-dihe-in | -63.01, -19.88 | -42.68, -46.48 | APE12-dist-in | 9.6424 | APE11-dist-in | 11.8309 | APE10-dist-in | 6.3933 | APE9-dist-in | 3.8996 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.64 | 0.199 | 0.226 | C | 323.0 | 283.0 | 12 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 5uiq | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UIQD | Q9NWZ3 | 164 | 458 | 460.0 | 8BV:501 | Type1 | Inactive | DFGin | 6.9589 | 14.2657 | BLAminus | -119.1, 174.77 | 64.33, 95.9 | -120.23, 16.26 | 309.43, 94.98 | -65.41, -29.0 | in-out | in | 8.6314 | Saltbr-out | 4.2615 | HRD-in | -57.37, -47.98 | 74.72, -2.81 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9316 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.96, 150.91 | APE9-dihe-na | 138.88, -168.68 | APE8-dihe-in | -114.25, 111.41 | APE8-rot-in | 310.92 | APE67-dihe-in | -61.78, -19.41 | -45.33, -46.22 | APE12-dist-in | 9.6136 | APE11-dist-in | 11.7923 | APE10-dist-in | 6.3731 | APE9-dist-in | 3.99 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.64 | 0.199 | 0.226 | D | 323.0 | 274.0 | 21 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 5uiq | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-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 |
|---|