| 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 | CDK1 | CDK1_HUMAN | 4YC6A | P06493 | 1 | 289 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 6.206 | 13.3706 | BLBplus | -114.82, 155.07 | 69.43, 17.47 | -57.04, 138.14 | 50.4, 83.51 | 59.01, 8.5 | out-out | out | 14.4961 | Saltbr-out | 15.9707 | HRD-in | -88.24, -68.44 | 89.41, -55.74 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.1449 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -45.41, 11.84 | APE9-dihe-na | -46.42, -50.89 | APE8-dihe-out | -54.87, -29.75 | APE8-rot-out | 76.62 | APE67-dihe-in | -77.02, -16.46 | -53.37, -29.92 | APE12-dist-out | 15.5599 | APE11-dist-out | 15.8429 | APE10-dist-out | 20.4437 | APE9-dist-out | 11.3802 | None | None | None | XRAY | 2.6 | 0.227 | 0.267 | A | 297.0 | 285.0 | 4 | 28 | 24 | 4 | [[4, 287]] | 1.0 | 4yc6 | CMGC_CDK1_HUMAN | CMGC | 2.5e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK1 | CDK1_HUMAN | 4YC6C | P06493 | 1 | 289 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1699 | 13.4236 | BLBplus | -115.87, 155.52 | 64.41, 18.0 | -56.56, 138.21 | 50.48, 82.7 | 57.27, 8.32 | out-out | out | 14.4766 | Saltbr-out | 15.9998 | HRD-in | -87.82, -66.01 | 86.32, -54.95 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.2106 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -45.43, 6.27 | APE9-dihe-na | -47.39, -47.05 | APE8-dihe-out | -55.48, -28.31 | APE8-rot-out | 75.35 | APE67-dihe-in | -77.34, -17.72 | -55.8, -27.51 | APE12-dist-out | 15.5166 | APE11-dist-out | 15.775 | APE10-dist-out | 20.3724 | APE9-dist-out | 11.3771 | None | None | None | XRAY | 2.6 | 0.227 | 0.267 | C | 297.0 | 285.0 | 4 | 28 | 24 | 4 | [[4, 287]] | 1.0 | 4yc6 | CMGC_CDK1_HUMAN | CMGC | 2.5e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK1 | CDK1_HUMAN | 4YC6E | P06493 | 1 | 289 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1409 | 13.2527 | BLBplus | -117.12, 155.07 | 65.38, 17.48 | -54.84, 140.62 | 49.78, 83.78 | 56.7, 7.44 | out-out | out | 14.4508 | Saltbr-out | 15.9145 | HRD-in | -87.7, -67.17 | 87.86, -53.89 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.2175 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -46.75, 14.03 | APE9-dihe-na | -39.85, -54.82 | APE8-dihe-out | -53.69, -30.98 | APE8-rot-out | 76.59 | APE67-dihe-in | -77.17, -18.26 | -53.59, -28.12 | APE12-dist-out | 15.5762 | APE11-dist-out | 15.92 | APE10-dist-out | 20.5172 | APE9-dist-out | 11.3964 | None | None | None | XRAY | 2.6 | 0.227 | 0.267 | E | 297.0 | 285.0 | 4 | 28 | 24 | 4 | [[4, 287]] | 1.0 | 4yc6 | CMGC_CDK1_HUMAN | CMGC | 2.5e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK1 | CDK1_HUMAN | 4YC6G | P06493 | 1 | 289 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1939 | 13.3889 | BLBplus | -115.52, 155.55 | 64.56, 18.95 | -56.33, 139.46 | 50.35, 83.64 | 55.47, 7.63 | out-out | out | 14.4486 | Saltbr-out | 15.9194 | HRD-in | -88.11, -67.61 | 87.18, -54.93 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.2263 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -48.45, 7.25 | APE9-dihe-na | -46.58, -48.14 | APE8-dihe-out | -53.92, -29.79 | APE8-rot-out | 75.7 | APE67-dihe-in | -74.81, -18.7 | -57.88, -25.9 | APE12-dist-out | 15.6717 | APE11-dist-out | 15.8594 | APE10-dist-out | 20.4351 | APE9-dist-out | 11.3769 | None | None | None | XRAY | 2.6 | 0.227 | 0.267 | G | 297.0 | 285.0 | 4 | 28 | 24 | 4 | [[4, 287]] | 1.0 | 4yc6 | CMGC_CDK1_HUMAN | CMGC | 2.5e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| 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 | CDK1 | CDK1_HUMAN | 4YC6A | P06493 | 1 | 289 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 6.206 | 13.3706 | BLBplus | -114.82, 155.07 | 69.43, 17.47 | -57.04, 138.14 | 50.4, 83.51 | 59.01, 8.5 | out-out | out | 14.4961 | Saltbr-out | 15.9707 | HRD-in | -88.24, -68.44 | 89.41, -55.74 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.1449 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -45.41, 11.84 | APE9-dihe-na | -46.42, -50.89 | APE8-dihe-out | -54.87, -29.75 | APE8-rot-out | 76.62 | APE67-dihe-in | -77.02, -16.46 | -53.37, -29.92 | APE12-dist-out | 15.5599 | APE11-dist-out | 15.8429 | APE10-dist-out | 20.4437 | APE9-dist-out | 11.3802 | None | None | None | XRAY | 2.6 | 0.227 | 0.267 | A | 297.0 | 285.0 | 4 | 28 | 24 | 4 | [[4, 287]] | 1.0 | 4yc6 | Homo sapiens | CMGC_CDK1_HUMAN | CMGC | 2.5e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK1 | CDK1_HUMAN | 4YC6C | P06493 | 1 | 289 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1699 | 13.4236 | BLBplus | -115.87, 155.52 | 64.41, 18.0 | -56.56, 138.21 | 50.48, 82.7 | 57.27, 8.32 | out-out | out | 14.4766 | Saltbr-out | 15.9998 | HRD-in | -87.82, -66.01 | 86.32, -54.95 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.2106 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -45.43, 6.27 | APE9-dihe-na | -47.39, -47.05 | APE8-dihe-out | -55.48, -28.31 | APE8-rot-out | 75.35 | APE67-dihe-in | -77.34, -17.72 | -55.8, -27.51 | APE12-dist-out | 15.5166 | APE11-dist-out | 15.775 | APE10-dist-out | 20.3724 | APE9-dist-out | 11.3771 | None | None | None | XRAY | 2.6 | 0.227 | 0.267 | C | 297.0 | 285.0 | 4 | 28 | 24 | 4 | [[4, 287]] | 1.0 | 4yc6 | Homo sapiens | CMGC_CDK1_HUMAN | CMGC | 2.5e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK1 | CDK1_HUMAN | 4YC6E | P06493 | 1 | 289 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1409 | 13.2527 | BLBplus | -117.12, 155.07 | 65.38, 17.48 | -54.84, 140.62 | 49.78, 83.78 | 56.7, 7.44 | out-out | out | 14.4508 | Saltbr-out | 15.9145 | HRD-in | -87.7, -67.17 | 87.86, -53.89 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.2175 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -46.75, 14.03 | APE9-dihe-na | -39.85, -54.82 | APE8-dihe-out | -53.69, -30.98 | APE8-rot-out | 76.59 | APE67-dihe-in | -77.17, -18.26 | -53.59, -28.12 | APE12-dist-out | 15.5762 | APE11-dist-out | 15.92 | APE10-dist-out | 20.5172 | APE9-dist-out | 11.3964 | None | None | None | XRAY | 2.6 | 0.227 | 0.267 | E | 297.0 | 285.0 | 4 | 28 | 24 | 4 | [[4, 287]] | 1.0 | 4yc6 | Homo sapiens | CMGC_CDK1_HUMAN | CMGC | 2.5e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK1 | CDK1_HUMAN | 4YC6G | P06493 | 1 | 289 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1939 | 13.3889 | BLBplus | -115.52, 155.55 | 64.56, 18.95 | -56.33, 139.46 | 50.35, 83.64 | 55.47, 7.63 | out-out | out | 14.4486 | Saltbr-out | 15.9194 | HRD-in | -88.11, -67.61 | 87.18, -54.93 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.2263 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -48.45, 7.25 | APE9-dihe-na | -46.58, -48.14 | APE8-dihe-out | -53.92, -29.79 | APE8-rot-out | 75.7 | APE67-dihe-in | -74.81, -18.7 | -57.88, -25.9 | APE12-dist-out | 15.6717 | APE11-dist-out | 15.8594 | APE10-dist-out | 20.4351 | APE9-dist-out | 11.3769 | None | None | None | XRAY | 2.6 | 0.227 | 0.267 | G | 297.0 | 285.0 | 4 | 28 | 24 | 4 | [[4, 287]] | 1.0 | 4yc6 | Homo sapiens | CMGC_CDK1_HUMAN | CMGC | 2.5e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| 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 |
|---|