| 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 | 7C2VA | Q9NWZ3 | 163 | 459 | 460.0 | FJ0:62001 | Type1 | Active | DFGin | 6.6176 | 14.2134 | BLAminus | -135.94, 175.42 | 58.24, 84.61 | -104.43, 24.97 | 312.74, 88.43 | -59.88, -37.17 | in-in | in | 8.7453 | Saltbr-in | 3.002 | HRD-in | -74.11, -52.44 | 77.01, 1.32 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8156 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.63, 154.75 | APE9-dihe-na | 139.65, -164.04 | APE8-dihe-in | -119.02, 113.97 | APE8-rot-in | 308.25 | APE67-dihe-in | -69.21, -17.36 | -47.12, -47.85 | APE12-dist-in | 10.0224 | APE11-dist-in | 11.7235 | APE10-dist-in | 6.4158 | APE9-dist-in | 3.9472 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.44 | 0.198 | 0.253 | A | 300.0 | 289.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 7c2v | TKL_IRAK4_HUMAN | TKL | 4e-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 | 7C2VB | Q9NWZ3 | 162 | 459 | 460.0 | FJ0:62001 | Type1 | Active | DFGin | 6.6654 | 14.2521 | BLAminus | -135.26, 175.48 | 59.27, 84.88 | -104.92, 25.84 | 312.32, 88.52 | -63.18, -35.5 | in-in | in | 8.6997 | Saltbr-in | 2.9903 | HRD-in | -74.07, -51.98 | 78.02, -1.39 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8117 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.61, 154.63 | APE9-dihe-na | 138.13, -164.33 | APE8-dihe-in | -118.3, 113.67 | APE8-rot-in | 307.85 | APE67-dihe-in | -69.26, -16.84 | -48.23, -46.76 | APE12-dist-in | 10.0425 | APE11-dist-in | 11.779 | APE10-dist-in | 6.4215 | APE9-dist-in | 3.9206 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.44 | 0.198 | 0.253 | B | 300.0 | 283.0 | 15 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 7c2v | TKL_IRAK4_HUMAN | TKL | 4e-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 | 7C2VC | Q9NWZ3 | 164 | 460 | 460.0 | FJ0:62001 | Type1 | Active | DFGin | 6.712 | 14.089 | BLAminus | -135.73, 175.29 | 58.82, 84.49 | -103.99, 25.78 | 313.96, 89.54 | -62.7, -36.78 | in-in | in | 8.7629 | Saltbr-in | 2.9984 | HRD-in | -73.62, -52.52 | 77.93, -0.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8182 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.21, 152.15 | APE9-dihe-na | 142.56, -163.31 | APE8-dihe-in | -117.7, 113.89 | APE8-rot-in | 308.41 | APE67-dihe-in | -67.4, -19.19 | -47.53, -47.66 | APE12-dist-in | 10.0468 | APE11-dist-in | 11.7965 | APE10-dist-in | 6.4267 | APE9-dist-in | 3.9165 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.44 | 0.198 | 0.253 | C | 300.0 | 283.0 | 14 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 7c2v | TKL_IRAK4_HUMAN | TKL | 4e-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 | 7C2VD | Q9NWZ3 | 164 | 459 | 460.0 | FJ0:62001 | Type1 | Active | DFGin | 6.8435 | 13.991 | BLAminus | -135.79, 174.86 | 59.77, 84.88 | -105.31, 25.28 | 314.76, 91.39 | -66.34, -34.97 | in-in | in | 8.5374 | Saltbr-in | 3.2341 | HRD-in | -74.76, -52.59 | 77.74, -0.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.818 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.65, 153.85 | APE9-dihe-na | 138.77, -167.25 | APE8-dihe-in | -118.33, 113.46 | APE8-rot-in | 308.03 | APE67-dihe-in | -67.8, -17.81 | -49.08, -46.8 | APE12-dist-in | 9.9954 | APE11-dist-in | 11.7907 | APE10-dist-in | 6.4908 | APE9-dist-in | 3.9523 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.44 | 0.198 | 0.253 | D | 300.0 | 286.0 | 10 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 7c2v | TKL_IRAK4_HUMAN | TKL | 4e-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | IRAK4 | IRAK4_HUMAN | 7C2VA | Q9NWZ3 | 163 | 459 | 460.0 | FJ0:62001 | Type1 | Active | DFGin | 6.6176 | 14.2134 | BLAminus | -135.94, 175.42 | 58.24, 84.61 | -104.43, 24.97 | 312.74, 88.43 | -59.88, -37.17 | in-in | in | 8.7453 | Saltbr-in | 3.002 | HRD-in | -74.11, -52.44 | 77.01, 1.32 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8156 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.63, 154.75 | APE9-dihe-na | 139.65, -164.04 | APE8-dihe-in | -119.02, 113.97 | APE8-rot-in | 308.25 | APE67-dihe-in | -69.21, -17.36 | -47.12, -47.85 | APE12-dist-in | 10.0224 | APE11-dist-in | 11.7235 | APE10-dist-in | 6.4158 | APE9-dist-in | 3.9472 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.44 | 0.198 | 0.253 | A | 300.0 | 289.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 7c2v | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4e-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 | 7C2VB | Q9NWZ3 | 162 | 459 | 460.0 | FJ0:62001 | Type1 | Active | DFGin | 6.6654 | 14.2521 | BLAminus | -135.26, 175.48 | 59.27, 84.88 | -104.92, 25.84 | 312.32, 88.52 | -63.18, -35.5 | in-in | in | 8.6997 | Saltbr-in | 2.9903 | HRD-in | -74.07, -51.98 | 78.02, -1.39 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8117 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.61, 154.63 | APE9-dihe-na | 138.13, -164.33 | APE8-dihe-in | -118.3, 113.67 | APE8-rot-in | 307.85 | APE67-dihe-in | -69.26, -16.84 | -48.23, -46.76 | APE12-dist-in | 10.0425 | APE11-dist-in | 11.779 | APE10-dist-in | 6.4215 | APE9-dist-in | 3.9206 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.44 | 0.198 | 0.253 | B | 300.0 | 283.0 | 15 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 7c2v | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4e-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 | 7C2VC | Q9NWZ3 | 164 | 460 | 460.0 | FJ0:62001 | Type1 | Active | DFGin | 6.712 | 14.089 | BLAminus | -135.73, 175.29 | 58.82, 84.49 | -103.99, 25.78 | 313.96, 89.54 | -62.7, -36.78 | in-in | in | 8.7629 | Saltbr-in | 2.9984 | HRD-in | -73.62, -52.52 | 77.93, -0.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8182 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.21, 152.15 | APE9-dihe-na | 142.56, -163.31 | APE8-dihe-in | -117.7, 113.89 | APE8-rot-in | 308.41 | APE67-dihe-in | -67.4, -19.19 | -47.53, -47.66 | APE12-dist-in | 10.0468 | APE11-dist-in | 11.7965 | APE10-dist-in | 6.4267 | APE9-dist-in | 3.9165 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.44 | 0.198 | 0.253 | C | 300.0 | 283.0 | 14 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 7c2v | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4e-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 | 7C2VD | Q9NWZ3 | 164 | 459 | 460.0 | FJ0:62001 | Type1 | Active | DFGin | 6.8435 | 13.991 | BLAminus | -135.79, 174.86 | 59.77, 84.88 | -105.31, 25.28 | 314.76, 91.39 | -66.34, -34.97 | in-in | in | 8.5374 | Saltbr-in | 3.2341 | HRD-in | -74.76, -52.59 | 77.74, -0.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.818 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.65, 153.85 | APE9-dihe-na | 138.77, -167.25 | APE8-dihe-in | -118.33, 113.46 | APE8-rot-in | 308.03 | APE67-dihe-in | -67.8, -17.81 | -49.08, -46.8 | APE12-dist-in | 9.9954 | APE11-dist-in | 11.7907 | APE10-dist-in | 6.4908 | APE9-dist-in | 3.9523 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.44 | 0.198 | 0.253 | D | 300.0 | 286.0 | 10 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 7c2v | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4e-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 |
|---|