| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TYR | EGFR | EGFR_HUMAN | 4I21A | P00533 | 703 | 1019 | 1210.0 | No_ligand | No_ligand | Inactive | DFGout | 14.7497 | 4.5517 | None | -100.28, 172.71 | -126.15, 170.08 | -163.08, 33.14 | 210.49, 157.35 | 95.37, -18.48 | out-out | out | 12.846 | Saltbr-out | 9.6468 | HRD-in | -39.7, -18.75 | 35.21, 19.68 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8657 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -97.28, 128.62 | APE9-dihe-in | -128.58, 144.56 | APE8-dihe-in | -73.89, 96.03 | APE8-rot-na | 28.14 | APE67-dihe-in | -80.61, -14.84 | -75.13, -32.8 | APE12-dist-na | 12.1295 | APE11-dist-na | 11.7682 | APE10-dist-na | 11.2474 | APE9-dist-in | 7.1732 | T790M,L858R | None | None | XRAY | 3.37 | 0.233 | 0.279 | A | 329.0 | 290.0 | 0 | 30 | 30 | 0 | [[712, 970]] | 1.0 | 4i21 | TYR_EGFR_HUMAN | TYR | 8.6e-87 | 296.8 | 3.0 | 259.0 | 257.0 | 854 | 855 | 856 | 858 | 860 | 745 | 762 | 766 | 834 | 836 | 835 | 837.0 | 896 | 884 | 879 | 878 | 877 | 876 | 875 | 874 | 873 | 791 | Epidermal growth factor receptor |
| TYR | EGFR | EGFR_HUMAN | 4I21B | P00533 | 703 | 1020 | 1210.0 | No_ligand | No_ligand | Inactive | DFGout | 14.7541 | 4.5497 | None | -99.82, 173.29 | -125.81, 171.27 | -163.87, 32.69 | 210.88, 156.94 | 95.05, -18.24 | out-out | out | 12.8425 | Saltbr-out | 9.6196 | HRD-in | -39.87, -18.86 | 36.39, 17.8 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8247 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -97.87, 127.85 | APE9-dihe-in | -127.9, 144.31 | APE8-dihe-in | -73.55, 96.22 | APE8-rot-na | 28.09 | APE67-dihe-in | -81.62, -14.13 | -75.34, -32.76 | APE12-dist-na | 12.1347 | APE11-dist-na | 11.7692 | APE10-dist-na | 11.2473 | APE9-dist-in | 7.1724 | T790M,L858R | None | None | XRAY | 3.37 | 0.233 | 0.279 | B | 329.0 | 302.0 | 0 | 30 | 30 | 0 | [[712, 970]] | 1.0 | 4i21 | TYR_EGFR_HUMAN | TYR | 8.6e-87 | 296.8 | 3.0 | 259.0 | 257.0 | 854 | 855 | 856 | 858 | 860 | 745 | 762 | 766 | 834 | 836 | 835 | 837.0 | 896 | 884 | 879 | 878 | 877 | 876 | 875 | 874 | 873 | 791 | Epidermal growth factor receptor |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TYR | EGFR | EGFR_HUMAN | 4I21A | P00533 | 703 | 1019 | 1210.0 | No_ligand | No_ligand | Inactive | DFGout | 14.7497 | 4.5517 | None | -100.28, 172.71 | -126.15, 170.08 | -163.08, 33.14 | 210.49, 157.35 | 95.37, -18.48 | out-out | out | 12.846 | Saltbr-out | 9.6468 | HRD-in | -39.7, -18.75 | 35.21, 19.68 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8657 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -97.28, 128.62 | APE9-dihe-in | -128.58, 144.56 | APE8-dihe-in | -73.89, 96.03 | APE8-rot-na | 28.14 | APE67-dihe-in | -80.61, -14.84 | -75.13, -32.8 | APE12-dist-na | 12.1295 | APE11-dist-na | 11.7682 | APE10-dist-na | 11.2474 | APE9-dist-in | 7.1732 | T790M,L858R | None | None | XRAY | 3.37 | 0.233 | 0.279 | A | 329.0 | 290.0 | 0 | 30 | 30 | 0 | [[712, 970]] | 1.0 | 4i21 | Homo sapiens | TYR_EGFR_HUMAN | TYR | 8.6e-87 | 296.8 | 3.0 | 259.0 | 257.0 | 854 | 855 | 856 | 858 | 860 | 745 | 762 | 766 | 834 | 836 | 835 | 837.0 | 896 | 884 | 879 | 878 | 877 | 876 | 875 | 874 | 873 | 791 | Epidermal growth factor receptor |
| TYR | EGFR | EGFR_HUMAN | 4I21B | P00533 | 703 | 1020 | 1210.0 | No_ligand | No_ligand | Inactive | DFGout | 14.7541 | 4.5497 | None | -99.82, 173.29 | -125.81, 171.27 | -163.87, 32.69 | 210.88, 156.94 | 95.05, -18.24 | out-out | out | 12.8425 | Saltbr-out | 9.6196 | HRD-in | -39.87, -18.86 | 36.39, 17.8 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8247 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -97.87, 127.85 | APE9-dihe-in | -127.9, 144.31 | APE8-dihe-in | -73.55, 96.22 | APE8-rot-na | 28.09 | APE67-dihe-in | -81.62, -14.13 | -75.34, -32.76 | APE12-dist-na | 12.1347 | APE11-dist-na | 11.7692 | APE10-dist-na | 11.2473 | APE9-dist-in | 7.1724 | T790M,L858R | None | None | XRAY | 3.37 | 0.233 | 0.279 | B | 329.0 | 302.0 | 0 | 30 | 30 | 0 | [[712, 970]] | 1.0 | 4i21 | Homo sapiens | TYR_EGFR_HUMAN | TYR | 8.6e-87 | 296.8 | 3.0 | 259.0 | 257.0 | 854 | 855 | 856 | 858 | 860 | 745 | 762 | 766 | 834 | 836 | 835 | 837.0 | 896 | 884 | 879 | 878 | 877 | 876 | 875 | 874 | 873 | 791 | Epidermal growth factor receptor |
| 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 |
|---|