| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CAMK | CHEK1 | CHK1_HUMAN | 7SUJA | O14757 | 9 | 271 | 476.0 | BYL:301 | Type1 | Inactive | DFGin | 6.9393 | 13.6262 | BLAminus | -118.6, 167.38 | 74.89, 93.53 | -107.57, 23.59 | 297.11, 81.28 | -67.67, -15.39 | in-out | in | 9.0569 | Saltbr-out | 4.1094 | HRD-in | -70.24, -40.44 | 73.4, -9.88 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.173 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -159.12, 168.37 | APE9-dihe-na | 116.82, -153.6 | APE8-dihe-in | -125.53, 126.35 | APE8-rot-in | 298.09 | APE67-dihe-in | -67.17, -13.71 | -45.66, -47.75 | APE12-dist-in | 8.9649 | APE11-dist-in | 11.5689 | APE10-dist-in | 6.1217 | APE9-dist-in | 3.7309 | N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S | None | None | XRAY | 2.299 | 0.236 | 0.297 | A | 297.0 | 256.0 | 7 | 30 | 30 | 0 | [[9, 265]] | 1.0 | 7suj | CAMK_CHEK1_HUMAN | CAMK | 4.8e-69 | 238.4 | 2.0 | 256.0 | 255.0 | 147 | 148 | 149 | 151 | 153 | 38 | 55 | 59 | 127 | 129 | 128 | 130.0 | 190 | 177 | 172 | 171 | 170 | 169 | 168 | 167 | 166 | 85 | Serine/threonine-protein kinase Chk1 |
| CAMK | CHEK1 | CHK1_HUMAN | 7SUJB | O14757 | 9 | 271 | 476.0 | BYL:301 | Type1 | Active | DFGin | 7.0631 | 13.3508 | BLAminus | -112.78, 164.5 | 67.33, 98.63 | -107.71, 27.22 | 294.65, 84.19 | -67.75, -27.67 | in-in | in | 9.0853 | Saltbr-in | 2.7733 | HRD-in | -62.4, -45.85 | 74.76, 2.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1185 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -162.97, 179.8 | APE9-dihe-na | 104.39, -157.62 | APE8-dihe-in | -121.39, 118.56 | APE8-rot-in | 300.57 | APE67-dihe-in | -61.22, -23.9 | -41.31, -48.21 | APE12-dist-in | 9.0691 | APE11-dist-in | 11.3439 | APE10-dist-in | 6.0757 | APE9-dist-in | 3.5945 | N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S | None | None | XRAY | 2.299 | 0.236 | 0.297 | B | 297.0 | 256.0 | 7 | 30 | 30 | 0 | [[9, 265]] | 1.0 | 7suj | CAMK_CHEK1_HUMAN | CAMK | 4.8e-69 | 238.4 | 2.0 | 256.0 | 255.0 | 147 | 148 | 149 | 151 | 153 | 38 | 55 | 59 | 127 | 129 | 128 | 130.0 | 190 | 177 | 172 | 171 | 170 | 169 | 168 | 167 | 166 | 85 | Serine/threonine-protein kinase Chk1 |
| TYR | EGFR | EGFR_HUMAN | 9NJ7A | P00533 | 698 | 1017 | 1210.0 | A1BYL:1201 | Type1 | None | DFGin | 6.0637 | 15.6182 | BLAminus | -139.58, -169.66 | 55.85, 84.13 | -103.94, 33.72 | 294.22, 89.03 | -68.52, -21.81 | in-in | in | 8.785 | Saltbr-in | 2.6949 | HRD-in | -73.41, -43.75 | 67.32, 4.02 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8327 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 140.66 | APE8-dihe-in | -73.6, 99.04 | APE8-rot-na | 28.02 | APE67-dihe-in | -69.1, -11.18 | -63.58, -37.14 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 6.4916 | None | None | None | XRAY | 2.53 | 0.233 | 0.281 | A | 327.0 | 266.0 | 30 | 30 | 15 | 15 | [[712, 970]] | 1.0 | 9nj7 | TYR_EGFR_HUMAN | TYR | 1e-87 | 299.8 | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CAMK | CHEK1 | CHK1_HUMAN | 7SUJA | O14757 | 9 | 271 | 476.0 | BYL:301 | Type1 | Inactive | DFGin | 6.9393 | 13.6262 | BLAminus | -118.6, 167.38 | 74.89, 93.53 | -107.57, 23.59 | 297.11, 81.28 | -67.67, -15.39 | in-out | in | 9.0569 | Saltbr-out | 4.1094 | HRD-in | -70.24, -40.44 | 73.4, -9.88 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.173 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -159.12, 168.37 | APE9-dihe-na | 116.82, -153.6 | APE8-dihe-in | -125.53, 126.35 | APE8-rot-in | 298.09 | APE67-dihe-in | -67.17, -13.71 | -45.66, -47.75 | APE12-dist-in | 8.9649 | APE11-dist-in | 11.5689 | APE10-dist-in | 6.1217 | APE9-dist-in | 3.7309 | N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S | None | None | XRAY | 2.299 | 0.236 | 0.297 | A | 297.0 | 256.0 | 7 | 30 | 30 | 0 | [[9, 265]] | 1.0 | 7suj | Homo sapiens | CAMK_CHEK1_HUMAN | CAMK | 4.8e-69 | 238.4 | 2.0 | 256.0 | 255.0 | 147 | 148 | 149 | 151 | 153 | 38 | 55 | 59 | 127 | 129 | 128 | 130.0 | 190 | 177 | 172 | 171 | 170 | 169 | 168 | 167 | 166 | 85 | Serine/threonine-protein kinase Chk1 |
| CAMK | CHEK1 | CHK1_HUMAN | 7SUJB | O14757 | 9 | 271 | 476.0 | BYL:301 | Type1 | Active | DFGin | 7.0631 | 13.3508 | BLAminus | -112.78, 164.5 | 67.33, 98.63 | -107.71, 27.22 | 294.65, 84.19 | -67.75, -27.67 | in-in | in | 9.0853 | Saltbr-in | 2.7733 | HRD-in | -62.4, -45.85 | 74.76, 2.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1185 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -162.97, 179.8 | APE9-dihe-na | 104.39, -157.62 | APE8-dihe-in | -121.39, 118.56 | APE8-rot-in | 300.57 | APE67-dihe-in | -61.22, -23.9 | -41.31, -48.21 | APE12-dist-in | 9.0691 | APE11-dist-in | 11.3439 | APE10-dist-in | 6.0757 | APE9-dist-in | 3.5945 | N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S | None | None | XRAY | 2.299 | 0.236 | 0.297 | B | 297.0 | 256.0 | 7 | 30 | 30 | 0 | [[9, 265]] | 1.0 | 7suj | Homo sapiens | CAMK_CHEK1_HUMAN | CAMK | 4.8e-69 | 238.4 | 2.0 | 256.0 | 255.0 | 147 | 148 | 149 | 151 | 153 | 38 | 55 | 59 | 127 | 129 | 128 | 130.0 | 190 | 177 | 172 | 171 | 170 | 169 | 168 | 167 | 166 | 85 | Serine/threonine-protein kinase Chk1 |
| TYR | EGFR | EGFR_HUMAN | 9NJ7A | P00533 | 698 | 1017 | 1210.0 | A1BYL:1201 | Type1 | None | DFGin | 6.0637 | 15.6182 | BLAminus | -139.58, -169.66 | 55.85, 84.13 | -103.94, 33.72 | 294.22, 89.03 | -68.52, -21.81 | in-in | in | 8.785 | Saltbr-in | 2.6949 | HRD-in | -73.41, -43.75 | 67.32, 4.02 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8327 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 140.66 | APE8-dihe-in | -73.6, 99.04 | APE8-rot-na | 28.02 | APE67-dihe-in | -69.1, -11.18 | -63.58, -37.14 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 6.4916 | None | None | None | XRAY | 2.53 | 0.233 | 0.281 | A | 327.0 | 266.0 | 30 | 30 | 15 | 15 | [[712, 970]] | 1.0 | 9nj7 | Homo sapiens | TYR_EGFR_HUMAN | TYR | 1e-87 | 299.8 | 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 |
|---|