| 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 | 2JIVB | P00533 | 699 | 982 | 1210.0 | HKI:1797 | Type1.5_Back | Inactive | DFGin | 5.0772 | 13.7479 | BLBplus | -147.04, -173.33 | 50.03, 19.5 | -76.15, 164.05 | 47.98, 89.4 | 34.92, 16.92 | out-out | out | 14.2577 | Saltbr-out | 14.0629 | HRD-in | -76.44, -8.74 | 29.89, 32.3 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.5821 | ActLoopCT-out | TYR | APEdihe_ooiai | APEdist_aaao | APE10-dihe-out | -61.7, 27.79 | APE9-dihe-out | -57.93, -177.94 | APE8-dihe-in | -111.79, 65.27 | APE8-rot-na | 347.45 | APE67-dihe-in | -88.48, -47.11 | -56.32, 0.62 | APE12-dist-na | 15.2915 | APE11-dist-na | 15.5216 | APE10-dist-na | 14.7827 | APE9-dist-out | 8.1974 | T790M | None | None | XRAY | 3.5 | 0.253 | 0.284 | B | 328.0 | 272.0 | 12 | 30 | 19 | 11 | [[712, 970]] | 1.0 | 2jiv | TYR_EGFR_HUMAN | TYR | 8.1e-88 | 300.1 | 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 | 2JIVA | P00533 | 700 | 984 | 1210.0 | HKI:1797 | Type1.5_Back | Inactive | DFGin | 5.403 | 14.133 | None | -99.08, 179.7 | 43.08, 110.41 | 179.69, 142.51 | 59.42, 1.67 | 76.47, 0.27 | out-out | out | 13.3964 | Saltbr-out | 10.1083 | HRD-in | -70.42, -63.2 | 89.91, -17.22 | out-out-none | SNCoon | out-none | ActLoopNT-out | 6.9283 | ActLoopCT-none | TYR | APEdihe_niiai | APEdist_aaai | APE10-dihe-none | 999.0, -38.75 | APE9-dihe-in | -107.53, 155.69 | APE8-dihe-in | -72.57, 63.91 | APE8-rot-na | 32.44 | APE67-dihe-in | -65.29, 3.74 | -54.81, -43.49 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 14.9317 | APE9-dist-in | 7.634 | T790M | None | None | XRAY | 3.5 | 0.253 | 0.284 | A | 328.0 | 270.0 | 15 | 30 | 16 | 14 | [[712, 970]] | 1.0 | 2jiv | TYR_EGFR_HUMAN | TYR | 8.1e-88 | 300.1 | 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 | 2JIVB | P00533 | 699 | 982 | 1210.0 | HKI:1797 | Type1.5_Back | Inactive | DFGin | 5.0772 | 13.7479 | BLBplus | -147.04, -173.33 | 50.03, 19.5 | -76.15, 164.05 | 47.98, 89.4 | 34.92, 16.92 | out-out | out | 14.2577 | Saltbr-out | 14.0629 | HRD-in | -76.44, -8.74 | 29.89, 32.3 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.5821 | ActLoopCT-out | TYR | APEdihe_ooiai | APEdist_aaao | APE10-dihe-out | -61.7, 27.79 | APE9-dihe-out | -57.93, -177.94 | APE8-dihe-in | -111.79, 65.27 | APE8-rot-na | 347.45 | APE67-dihe-in | -88.48, -47.11 | -56.32, 0.62 | APE12-dist-na | 15.2915 | APE11-dist-na | 15.5216 | APE10-dist-na | 14.7827 | APE9-dist-out | 8.1974 | T790M | None | None | XRAY | 3.5 | 0.253 | 0.284 | B | 328.0 | 272.0 | 12 | 30 | 19 | 11 | [[712, 970]] | 1.0 | 2jiv | Homo sapiens | TYR_EGFR_HUMAN | TYR | 8.1e-88 | 300.1 | 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 | 2JIVA | P00533 | 700 | 984 | 1210.0 | HKI:1797 | Type1.5_Back | Inactive | DFGin | 5.403 | 14.133 | None | -99.08, 179.7 | 43.08, 110.41 | 179.69, 142.51 | 59.42, 1.67 | 76.47, 0.27 | out-out | out | 13.3964 | Saltbr-out | 10.1083 | HRD-in | -70.42, -63.2 | 89.91, -17.22 | out-out-none | SNCoon | out-none | ActLoopNT-out | 6.9283 | ActLoopCT-none | TYR | APEdihe_niiai | APEdist_aaai | APE10-dihe-none | 999.0, -38.75 | APE9-dihe-in | -107.53, 155.69 | APE8-dihe-in | -72.57, 63.91 | APE8-rot-na | 32.44 | APE67-dihe-in | -65.29, 3.74 | -54.81, -43.49 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 14.9317 | APE9-dist-in | 7.634 | T790M | None | None | XRAY | 3.5 | 0.253 | 0.284 | A | 328.0 | 270.0 | 15 | 30 | 16 | 14 | [[712, 970]] | 1.0 | 2jiv | Homo sapiens | TYR_EGFR_HUMAN | TYR | 8.1e-88 | 300.1 | 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 |
|---|