| 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 | 6THWA | Q9NWZ3 | 164 | 458 | 460.0 | NBK:501 | Type1 | Inactive | DFGin | 6.8204 | 14.6137 | BLAminus | -123.66, 168.11 | 62.81, 82.82 | -101.09, 19.87 | 307.94, 110.85 | -62.52, -25.01 | in-out | in | 9.344 | Saltbr-out | 4.8967 | HRD-in | -67.46, -50.06 | 75.47, -3.2 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.7816 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -124.8, 166.47 | APE9-dihe-na | 126.73, -169.13 | APE8-dihe-in | -110.99, 111.83 | APE8-rot-in | 308.93 | APE67-dihe-in | -62.57, -16.11 | -43.52, -47.59 | APE12-dist-none | 999.0 | APE11-dist-in | 11.9165 | APE10-dist-in | 6.5636 | APE9-dist-in | 3.7607 | None | None | None | XRAY | 2.44 | 0.242 | 0.271 | A | 308.0 | 277.0 | 18 | 30 | 18 | 12 | [[183, 456]] | 1.0 | 6thw | 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 | 6THWB | Q9NWZ3 | 164 | 458 | 460.0 | NBK:501 | Type1 | Inactive | DFGin | 7.0858 | 14.4327 | BLAminus | -140.9, 170.15 | 72.18, 81.33 | -104.48, 18.05 | 307.7, 105.04 | -67.72, -34.78 | in-out | in | 9.1622 | Saltbr-out | 6.8487 | HRD-in | -62.52, -55.9 | 78.39, -2.11 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.6548 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -148.04, 150.43 | APE9-dihe-na | 154.2, -168.3 | APE8-dihe-in | -105.53, 110.29 | APE8-rot-in | 314.35 | APE67-dihe-in | -55.79, -22.17 | -55.77, -37.55 | APE12-dist-none | 999.0 | APE11-dist-in | 11.5075 | APE10-dist-in | 6.9992 | APE9-dist-in | 4.133 | None | None | None | XRAY | 2.44 | 0.242 | 0.271 | B | 308.0 | 281.0 | 14 | 30 | 19 | 11 | [[183, 456]] | 1.0 | 6thw | 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 | 6THWA | Q9NWZ3 | 164 | 458 | 460.0 | NBK:501 | Type1 | Inactive | DFGin | 6.8204 | 14.6137 | BLAminus | -123.66, 168.11 | 62.81, 82.82 | -101.09, 19.87 | 307.94, 110.85 | -62.52, -25.01 | in-out | in | 9.344 | Saltbr-out | 4.8967 | HRD-in | -67.46, -50.06 | 75.47, -3.2 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.7816 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -124.8, 166.47 | APE9-dihe-na | 126.73, -169.13 | APE8-dihe-in | -110.99, 111.83 | APE8-rot-in | 308.93 | APE67-dihe-in | -62.57, -16.11 | -43.52, -47.59 | APE12-dist-none | 999.0 | APE11-dist-in | 11.9165 | APE10-dist-in | 6.5636 | APE9-dist-in | 3.7607 | None | None | None | XRAY | 2.44 | 0.242 | 0.271 | A | 308.0 | 277.0 | 18 | 30 | 18 | 12 | [[183, 456]] | 1.0 | 6thw | 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 | 6THWB | Q9NWZ3 | 164 | 458 | 460.0 | NBK:501 | Type1 | Inactive | DFGin | 7.0858 | 14.4327 | BLAminus | -140.9, 170.15 | 72.18, 81.33 | -104.48, 18.05 | 307.7, 105.04 | -67.72, -34.78 | in-out | in | 9.1622 | Saltbr-out | 6.8487 | HRD-in | -62.52, -55.9 | 78.39, -2.11 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.6548 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -148.04, 150.43 | APE9-dihe-na | 154.2, -168.3 | APE8-dihe-in | -105.53, 110.29 | APE8-rot-in | 314.35 | APE67-dihe-in | -55.79, -22.17 | -55.77, -37.55 | APE12-dist-none | 999.0 | APE11-dist-in | 11.5075 | APE10-dist-in | 6.9992 | APE9-dist-in | 4.133 | None | None | None | XRAY | 2.44 | 0.242 | 0.271 | B | 308.0 | 281.0 | 14 | 30 | 19 | 11 | [[183, 456]] | 1.0 | 6thw | 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 |
|---|