| 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 | IRAK3 | IRAK3_HUMAN | 6RUUA | Q9Y616 | 153 | 450 | 596.0 | No_ligand | No_ligand | Pseudo | DFGin | 7.3264 | 14.8841 | BLAminus | -133.01, -174.08 | 57.44, 64.43 | -91.56, 23.98 | 296.73, 105.83 | -64.82, -31.62 | in-out | in | 8.0137 | Saltbr-out | 3.6181 | HRD-in | -76.83, -46.42 | 68.87, -4.54 | out-in-none | SNCoin | in-none | ActLoopNT-in | 3.0151 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 24.62 | APE8-rot-none | 999.0 | APE67-dihe-in | -68.1, -25.53 | -116.47, 47.42 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.95 | 0.23 | 0.26 | A | 315.0 | 285.0 | 13 | 34 | 24 | 10 | [[164, 445]] | 1.0 | 6ruu | TKL_IRAK3_HUMAN | TKL | 2.1e-70 | 243.3 | 4.0 | 266.0 | 263.0 | 310 | 311 | 312 | 314 | 316 | 192 | 212 | 216 | 290 | 292 | 291 | 293.0 | 356 | 344 | 339 | 338 | 337 | 336 | 335 | 334 | 333 | 242 | Interleukin-1 receptor-associated kinase 3 |
| TKL | IRAK3 | IRAK3_HUMAN | 6RUUB | Q9Y616 | 152 | 452 | 596.0 | No_ligand | No_ligand | Pseudo | DFGin | 7.0219 | 14.9861 | BLAminus | -150.92, 173.68 | 59.31, 65.47 | -89.75, 25.43 | 295.48, 100.27 | -67.54, -42.42 | in-out | in | 7.9493 | Saltbr-out | 4.374 | HRD-in | -61.73, -45.76 | 79.92, -72.1 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.5331 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_iooo | APE10-dihe-na | -66.83, -49.08 | APE9-dihe-na | -65.03, -26.24 | APE8-dihe-out | -87.01, 8.46 | APE8-rot-na | 188.59 | APE67-dihe-in | -70.55, -3.31 | -54.29, -46.92 | APE12-dist-in | 9.0386 | APE11-dist-out | 6.7335 | APE10-dist-out | 12.331 | APE9-dist-out | 10.5308 | None | None | None | XRAY | 2.95 | 0.23 | 0.26 | B | 315.0 | 286.0 | 15 | 34 | 26 | 8 | [[164, 445]] | 1.0 | 6ruu | TKL_IRAK3_HUMAN | TKL | 2.1e-70 | 243.3 | 4.0 | 266.0 | 263.0 | 310 | 311 | 312 | 314 | 316 | 192 | 212 | 216 | 290 | 292 | 291 | 293.0 | 356 | 344 | 339 | 338 | 337 | 336 | 335 | 334 | 333 | 242 | Interleukin-1 receptor-associated kinase 3 |
| TKL | IRAK3 | IRAK3_HUMAN | 6RUUC | Q9Y616 | 179 | 454 | 596.0 | No_ligand | No_ligand | Pseudo | None | 999.0 | 999.0 | None | -144.24, -178.09 | -113.97, -57.44 | -128.5, 145.24 | 999.0, 999.0 | -123.81, 150.85 | out-none | out | 14.9706 | Saltbr-none | 999.0 | HRD-out | -119.66, 97.59 | -63.5, -32.53 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoni | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -98.5 | APE8-dihe-out | -108.73, 12.85 | APE8-rot-none | 999.0 | APE67-dihe-in | -79.09, -35.3 | -69.09, 2.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.2964 | None | None | None | XRAY | 2.95 | 0.23 | 0.26 | C | 315.0 | 245.0 | 50 | 34 | 13 | 21 | [[164, 445]] | 1.0 | 6ruu | TKL_IRAK3_HUMAN | TKL | 2.1e-70 | 243.3 | 4.0 | 266.0 | 263.0 | 310 | 311 | 312 | 314 | 316 | 192 | 212 | 216 | 290 | 292 | 291 | 293.0 | 356 | 344 | 339 | 338 | 337 | 336 | 335 | 334 | 333 | 242 | Interleukin-1 receptor-associated kinase 3 |
| 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 | IRAK3 | IRAK3_HUMAN | 6RUUA | Q9Y616 | 153 | 450 | 596.0 | No_ligand | No_ligand | Pseudo | DFGin | 7.3264 | 14.8841 | BLAminus | -133.01, -174.08 | 57.44, 64.43 | -91.56, 23.98 | 296.73, 105.83 | -64.82, -31.62 | in-out | in | 8.0137 | Saltbr-out | 3.6181 | HRD-in | -76.83, -46.42 | 68.87, -4.54 | out-in-none | SNCoin | in-none | ActLoopNT-in | 3.0151 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 24.62 | APE8-rot-none | 999.0 | APE67-dihe-in | -68.1, -25.53 | -116.47, 47.42 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.95 | 0.23 | 0.26 | A | 315.0 | 285.0 | 13 | 34 | 24 | 10 | [[164, 445]] | 1.0 | 6ruu | Homo sapiens | TKL_IRAK3_HUMAN | TKL | 2.1e-70 | 243.3 | 4.0 | 266.0 | 263.0 | 310 | 311 | 312 | 314 | 316 | 192 | 212 | 216 | 290 | 292 | 291 | 293.0 | 356 | 344 | 339 | 338 | 337 | 336 | 335 | 334 | 333 | 242 | Interleukin-1 receptor-associated kinase 3 |
| TKL | IRAK3 | IRAK3_HUMAN | 6RUUB | Q9Y616 | 152 | 452 | 596.0 | No_ligand | No_ligand | Pseudo | DFGin | 7.0219 | 14.9861 | BLAminus | -150.92, 173.68 | 59.31, 65.47 | -89.75, 25.43 | 295.48, 100.27 | -67.54, -42.42 | in-out | in | 7.9493 | Saltbr-out | 4.374 | HRD-in | -61.73, -45.76 | 79.92, -72.1 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.5331 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_iooo | APE10-dihe-na | -66.83, -49.08 | APE9-dihe-na | -65.03, -26.24 | APE8-dihe-out | -87.01, 8.46 | APE8-rot-na | 188.59 | APE67-dihe-in | -70.55, -3.31 | -54.29, -46.92 | APE12-dist-in | 9.0386 | APE11-dist-out | 6.7335 | APE10-dist-out | 12.331 | APE9-dist-out | 10.5308 | None | None | None | XRAY | 2.95 | 0.23 | 0.26 | B | 315.0 | 286.0 | 15 | 34 | 26 | 8 | [[164, 445]] | 1.0 | 6ruu | Homo sapiens | TKL_IRAK3_HUMAN | TKL | 2.1e-70 | 243.3 | 4.0 | 266.0 | 263.0 | 310 | 311 | 312 | 314 | 316 | 192 | 212 | 216 | 290 | 292 | 291 | 293.0 | 356 | 344 | 339 | 338 | 337 | 336 | 335 | 334 | 333 | 242 | Interleukin-1 receptor-associated kinase 3 |
| TKL | IRAK3 | IRAK3_HUMAN | 6RUUC | Q9Y616 | 179 | 454 | 596.0 | No_ligand | No_ligand | Pseudo | None | 999.0 | 999.0 | None | -144.24, -178.09 | -113.97, -57.44 | -128.5, 145.24 | 999.0, 999.0 | -123.81, 150.85 | out-none | out | 14.9706 | Saltbr-none | 999.0 | HRD-out | -119.66, 97.59 | -63.5, -32.53 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoni | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -98.5 | APE8-dihe-out | -108.73, 12.85 | APE8-rot-none | 999.0 | APE67-dihe-in | -79.09, -35.3 | -69.09, 2.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.2964 | None | None | None | XRAY | 2.95 | 0.23 | 0.26 | C | 315.0 | 245.0 | 50 | 34 | 13 | 21 | [[164, 445]] | 1.0 | 6ruu | Homo sapiens | TKL_IRAK3_HUMAN | TKL | 2.1e-70 | 243.3 | 4.0 | 266.0 | 263.0 | 310 | 311 | 312 | 314 | 316 | 192 | 212 | 216 | 290 | 292 | 291 | 293.0 | 356 | 344 | 339 | 338 | 337 | 336 | 335 | 334 | 333 | 242 | Interleukin-1 receptor-associated kinase 3 |
| 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 |
|---|