| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | CDK2 | CDK2_HUMAN | 4RJ3A | P24941 | 1 | 295 | 298.0 | 3QS:302 | Type1 | Inactive | DFGin | 10.8441 | 18.4788 | BLBtrans | -103.26, 157.57 | 67.1, 20.45 | -61.5, 131.71 | 229.9, 107.13 | 88.12, -11.06 | out-na | out | 15.2453 | Saltbr-na | 16.0151 | HRD-in | -86.0, -60.04 | 83.03, -12.63 | na-out-out | SNCaoo | out-out | ActLoopNT-out | 5.6619 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -70.8, 126.77 | APE9-dihe-na | -74.75, 124.45 | APE8-dihe-in | -64.43, 140.32 | APE8-rot-out | 189.03 | APE67-dihe-in | -62.82, -26.74 | -95.98, -4.59 | APE12-dist-out | 19.5701 | APE11-dist-out | 17.1266 | APE10-dist-out | 18.6606 | APE9-dist-out | 10.2825 | None | None | ALY33 | XRAY | 1.63 | 0.177 | 0.21 | A | 298.0 | 288.0 | 7 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4rj3 | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| TYR | EGFR | EGFR_HUMAN | 4RJ8A | P00533 | 697 | 1018 | 1210.0 | 3QS:1102 | Type1 | None | DFGin | 5.739 | 14.8391 | BLAminus | -139.18, -167.47 | 68.29, 77.56 | -89.12, 10.26 | 294.1, 106.72 | -54.86, -20.91 | in-in | in | 8.3957 | Saltbr-in | 2.7941 | HRD-in | -60.49, -55.01 | 73.42, -2.13 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7808 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 133.62 | APE8-dihe-in | -86.58, 81.4 | APE8-rot-na | 26.4 | APE67-dihe-in | -68.07, -3.17 | -48.59, -54.74 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 7.12 | T790M,L858R,E865A,E866A,K867A | None | None | XRAY | 2.5 | 0.197 | 0.226 | A | 331.0 | 298.0 | 18 | 30 | 16 | 14 | [[712, 970]] | 1.0 | 4rj8 | TYR_EGFR_HUMAN | TYR | 4.6e-86 | 294.4 | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | CDK2 | CDK2_HUMAN | 4RJ3A | P24941 | 1 | 295 | 298.0 | 3QS:302 | Type1 | Inactive | DFGin | 10.8441 | 18.4788 | BLBtrans | -103.26, 157.57 | 67.1, 20.45 | -61.5, 131.71 | 229.9, 107.13 | 88.12, -11.06 | out-na | out | 15.2453 | Saltbr-na | 16.0151 | HRD-in | -86.0, -60.04 | 83.03, -12.63 | na-out-out | SNCaoo | out-out | ActLoopNT-out | 5.6619 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -70.8, 126.77 | APE9-dihe-na | -74.75, 124.45 | APE8-dihe-in | -64.43, 140.32 | APE8-rot-out | 189.03 | APE67-dihe-in | -62.82, -26.74 | -95.98, -4.59 | APE12-dist-out | 19.5701 | APE11-dist-out | 17.1266 | APE10-dist-out | 18.6606 | APE9-dist-out | 10.2825 | None | None | ALY33 | XRAY | 1.63 | 0.177 | 0.21 | A | 298.0 | 288.0 | 7 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4rj3 | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| TYR | EGFR | EGFR_HUMAN | 4RJ8A | P00533 | 697 | 1018 | 1210.0 | 3QS:1102 | Type1 | None | DFGin | 5.739 | 14.8391 | BLAminus | -139.18, -167.47 | 68.29, 77.56 | -89.12, 10.26 | 294.1, 106.72 | -54.86, -20.91 | in-in | in | 8.3957 | Saltbr-in | 2.7941 | HRD-in | -60.49, -55.01 | 73.42, -2.13 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7808 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 133.62 | APE8-dihe-in | -86.58, 81.4 | APE8-rot-na | 26.4 | APE67-dihe-in | -68.07, -3.17 | -48.59, -54.74 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 7.12 | T790M,L858R,E865A,E866A,K867A | None | None | XRAY | 2.5 | 0.197 | 0.226 | A | 331.0 | 298.0 | 18 | 30 | 16 | 14 | [[712, 970]] | 1.0 | 4rj8 | Homo sapiens | TYR_EGFR_HUMAN | TYR | 4.6e-86 | 294.4 | 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 |
|---|