| 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 | 5T1TA | Q9NWZ3 | 163 | 459 | 460.0 | 76P:9901 | Type1 | Inactive | DFGin | 6.887 | 13.9561 | BLAminus | -133.7, 176.64 | 67.32, 81.1 | -107.48, 15.55 | 308.96, 93.07 | -63.8, -32.84 | in-out | in | 8.8561 | Saltbr-out | 4.6921 | HRD-in | -67.26, -50.15 | 75.88, -1.73 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7428 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.24, 158.51 | APE9-dihe-na | 129.02, -169.71 | APE8-dihe-in | -114.13, 114.14 | APE8-rot-in | 310.96 | APE67-dihe-in | -64.47, -17.8 | -40.74, -50.47 | APE12-dist-in | 9.8476 | APE11-dist-in | 11.7553 | APE10-dist-in | 6.3662 | APE9-dist-in | 3.8797 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.34 | 0.207 | 0.228 | A | 301.0 | 286.0 | 11 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 5t1t | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 5T1TB | Q9NWZ3 | 161 | 459 | 460.0 | 76P:9901 | Type1 | Inactive | DFGin | 6.9393 | 13.9935 | BLAminus | -132.8, 176.38 | 67.63, 80.73 | -108.02, 15.73 | 309.33, 93.37 | -64.25, -32.84 | in-out | in | 8.925 | Saltbr-out | 4.0346 | HRD-in | -67.17, -50.18 | 76.11, -2.27 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7407 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.26, 158.14 | APE9-dihe-na | 129.32, -169.9 | APE8-dihe-in | -113.91, 113.67 | APE8-rot-in | 310.6 | APE67-dihe-in | -63.34, -18.99 | -40.46, -50.32 | APE12-dist-in | 9.7898 | APE11-dist-in | 11.7618 | APE10-dist-in | 6.3647 | APE9-dist-in | 3.8778 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.34 | 0.207 | 0.228 | B | 301.0 | 283.0 | 16 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 5t1t | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 5T1TC | Q9NWZ3 | 164 | 460 | 460.0 | 76P:9901 | Type1 | Inactive | DFGin | 6.9305 | 13.9526 | BLAminus | -133.8, 176.71 | 66.9, 81.1 | -106.8, 16.35 | 308.8, 92.24 | -64.12, -32.99 | in-out | in | 8.9406 | Saltbr-out | 4.7923 | HRD-in | -66.05, -49.3 | 74.35, -2.18 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7376 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.21, 158.83 | APE9-dihe-na | 129.01, -170.01 | APE8-dihe-in | -113.41, 113.59 | APE8-rot-in | 310.43 | APE67-dihe-in | -64.34, -19.05 | -39.55, -50.27 | APE12-dist-in | 9.7346 | APE11-dist-in | 11.7787 | APE10-dist-in | 6.3763 | APE9-dist-in | 3.8759 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.34 | 0.207 | 0.228 | C | 301.0 | 289.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 5t1t | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 5T1TD | Q9NWZ3 | 164 | 459 | 460.0 | 76P:9901 | Type1 | Inactive | DFGin | 6.9694 | 13.9993 | BLAminus | -132.86, 176.93 | 67.54, 80.5 | -108.06, 15.43 | 309.35, 93.29 | -64.49, -32.38 | in-out | in | 9.0752 | Saltbr-out | 4.2903 | HRD-in | -67.54, -50.03 | 76.03, -1.74 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7479 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.33, 157.65 | APE9-dihe-na | 129.81, -169.72 | APE8-dihe-in | -114.04, 113.72 | APE8-rot-in | 310.35 | APE67-dihe-in | -63.86, -17.96 | -40.26, -50.55 | APE12-dist-in | 9.7798 | APE11-dist-in | 11.755 | APE10-dist-in | 6.3701 | APE9-dist-in | 3.8974 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.34 | 0.207 | 0.228 | D | 301.0 | 286.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 5t1t | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 5T1TA | Q9NWZ3 | 163 | 459 | 460.0 | 76P:9901 | Type1 | Inactive | DFGin | 6.887 | 13.9561 | BLAminus | -133.7, 176.64 | 67.32, 81.1 | -107.48, 15.55 | 308.96, 93.07 | -63.8, -32.84 | in-out | in | 8.8561 | Saltbr-out | 4.6921 | HRD-in | -67.26, -50.15 | 75.88, -1.73 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7428 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.24, 158.51 | APE9-dihe-na | 129.02, -169.71 | APE8-dihe-in | -114.13, 114.14 | APE8-rot-in | 310.96 | APE67-dihe-in | -64.47, -17.8 | -40.74, -50.47 | APE12-dist-in | 9.8476 | APE11-dist-in | 11.7553 | APE10-dist-in | 6.3662 | APE9-dist-in | 3.8797 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.34 | 0.207 | 0.228 | A | 301.0 | 286.0 | 11 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 5t1t | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 5T1TB | Q9NWZ3 | 161 | 459 | 460.0 | 76P:9901 | Type1 | Inactive | DFGin | 6.9393 | 13.9935 | BLAminus | -132.8, 176.38 | 67.63, 80.73 | -108.02, 15.73 | 309.33, 93.37 | -64.25, -32.84 | in-out | in | 8.925 | Saltbr-out | 4.0346 | HRD-in | -67.17, -50.18 | 76.11, -2.27 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7407 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.26, 158.14 | APE9-dihe-na | 129.32, -169.9 | APE8-dihe-in | -113.91, 113.67 | APE8-rot-in | 310.6 | APE67-dihe-in | -63.34, -18.99 | -40.46, -50.32 | APE12-dist-in | 9.7898 | APE11-dist-in | 11.7618 | APE10-dist-in | 6.3647 | APE9-dist-in | 3.8778 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.34 | 0.207 | 0.228 | B | 301.0 | 283.0 | 16 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 5t1t | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 5T1TC | Q9NWZ3 | 164 | 460 | 460.0 | 76P:9901 | Type1 | Inactive | DFGin | 6.9305 | 13.9526 | BLAminus | -133.8, 176.71 | 66.9, 81.1 | -106.8, 16.35 | 308.8, 92.24 | -64.12, -32.99 | in-out | in | 8.9406 | Saltbr-out | 4.7923 | HRD-in | -66.05, -49.3 | 74.35, -2.18 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7376 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.21, 158.83 | APE9-dihe-na | 129.01, -170.01 | APE8-dihe-in | -113.41, 113.59 | APE8-rot-in | 310.43 | APE67-dihe-in | -64.34, -19.05 | -39.55, -50.27 | APE12-dist-in | 9.7346 | APE11-dist-in | 11.7787 | APE10-dist-in | 6.3763 | APE9-dist-in | 3.8759 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.34 | 0.207 | 0.228 | C | 301.0 | 289.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 5t1t | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-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 | 5T1TD | Q9NWZ3 | 164 | 459 | 460.0 | 76P:9901 | Type1 | Inactive | DFGin | 6.9694 | 13.9993 | BLAminus | -132.86, 176.93 | 67.54, 80.5 | -108.06, 15.43 | 309.35, 93.29 | -64.49, -32.38 | in-out | in | 9.0752 | Saltbr-out | 4.2903 | HRD-in | -67.54, -50.03 | 76.03, -1.74 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7479 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.33, 157.65 | APE9-dihe-na | 129.81, -169.72 | APE8-dihe-in | -114.04, 113.72 | APE8-rot-in | 310.35 | APE67-dihe-in | -63.86, -17.96 | -40.26, -50.55 | APE12-dist-in | 9.7798 | APE11-dist-in | 11.755 | APE10-dist-in | 6.3701 | APE9-dist-in | 3.8974 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.34 | 0.207 | 0.228 | D | 301.0 | 286.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 5t1t | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-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 |
|---|