| 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 | 2JITA | P00533 | 696 | 1016 | 1210.0 | No_ligand | No_ligand | Active | DFGin | 5.1411 | 14.0407 | BLAminus | -143.75, -163.53 | 58.3, 96.79 | -111.32, 23.77 | 293.79, 72.87 | -42.77, -57.72 | in-in | in | 8.2608 | Saltbr-in | 2.5023 | HRD-in | -58.72, -42.55 | 61.63, -2.2 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.786 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -40.92, 138.22 | APE9-dihe-in | -145.55, 148.59 | APE8-dihe-in | -78.1, 90.66 | APE8-rot-na | 34.4 | APE67-dihe-in | -72.3, 17.7 | -56.07, -43.84 | APE12-dist-na | 11.5326 | APE11-dist-na | 9.5445 | APE10-dist-na | 10.0762 | APE9-dist-in | 6.677 | T790M | None | None | XRAY | 3.1 | 0.209 | 0.249 | A | 327.0 | 299.0 | 0 | 30 | 30 | 0 | [[712, 970]] | 1.0 | 2jit | TYR_EGFR_HUMAN | TYR | 8e-88 | 300.2 | 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 | 2JITB | P00533 | 697 | 1018 | 1210.0 | No_ligand | No_ligand | Inactive | DFGinter | 8.6428 | 4.2683 | None | -65.09, 133.17 | -114.41, 36.11 | -84.27, 149.81 | 251.72, 154.26 | 60.91, 22.91 | in-in | in | 8.0303 | Saltbr-in | 3.164 | HRD-in | -71.83, -62.45 | 88.36, -10.04 | in-out-in | SNCioi | out-in | ActLoopNT-out | 4.3323 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -76.87, 136.57 | APE9-dihe-in | -138.24, 154.81 | APE8-dihe-in | -91.0, 80.78 | APE8-rot-na | 356.06 | APE67-dihe-in | -73.95, 11.71 | -56.2, -43.16 | APE12-dist-na | 15.9826 | APE11-dist-na | 15.7725 | APE10-dist-na | 15.9676 | APE9-dist-in | 7.4115 | T790M | None | None | XRAY | 3.1 | 0.209 | 0.249 | B | 327.0 | 312.0 | 0 | 30 | 30 | 0 | [[712, 970]] | 1.0 | 2jit | TYR_EGFR_HUMAN | TYR | 8e-88 | 300.2 | 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 | 2JITA | P00533 | 696 | 1016 | 1210.0 | No_ligand | No_ligand | Active | DFGin | 5.1411 | 14.0407 | BLAminus | -143.75, -163.53 | 58.3, 96.79 | -111.32, 23.77 | 293.79, 72.87 | -42.77, -57.72 | in-in | in | 8.2608 | Saltbr-in | 2.5023 | HRD-in | -58.72, -42.55 | 61.63, -2.2 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.786 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -40.92, 138.22 | APE9-dihe-in | -145.55, 148.59 | APE8-dihe-in | -78.1, 90.66 | APE8-rot-na | 34.4 | APE67-dihe-in | -72.3, 17.7 | -56.07, -43.84 | APE12-dist-na | 11.5326 | APE11-dist-na | 9.5445 | APE10-dist-na | 10.0762 | APE9-dist-in | 6.677 | T790M | None | None | XRAY | 3.1 | 0.209 | 0.249 | A | 327.0 | 299.0 | 0 | 30 | 30 | 0 | [[712, 970]] | 1.0 | 2jit | Homo sapiens | TYR_EGFR_HUMAN | TYR | 8e-88 | 300.2 | 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 | 2JITB | P00533 | 697 | 1018 | 1210.0 | No_ligand | No_ligand | Inactive | DFGinter | 8.6428 | 4.2683 | None | -65.09, 133.17 | -114.41, 36.11 | -84.27, 149.81 | 251.72, 154.26 | 60.91, 22.91 | in-in | in | 8.0303 | Saltbr-in | 3.164 | HRD-in | -71.83, -62.45 | 88.36, -10.04 | in-out-in | SNCioi | out-in | ActLoopNT-out | 4.3323 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -76.87, 136.57 | APE9-dihe-in | -138.24, 154.81 | APE8-dihe-in | -91.0, 80.78 | APE8-rot-na | 356.06 | APE67-dihe-in | -73.95, 11.71 | -56.2, -43.16 | APE12-dist-na | 15.9826 | APE11-dist-na | 15.7725 | APE10-dist-na | 15.9676 | APE9-dist-in | 7.4115 | T790M | None | None | XRAY | 3.1 | 0.209 | 0.249 | B | 327.0 | 312.0 | 0 | 30 | 30 | 0 | [[712, 970]] | 1.0 | 2jit | Homo sapiens | TYR_EGFR_HUMAN | TYR | 8e-88 | 300.2 | 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 |
|---|