| 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 | 6GU7C | P06493 | 1 | 291 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9493 | 13.3982 | BLBplus | -107.31, 156.68 | 67.8, 8.48 | -46.38, 137.91 | 57.04, 84.17 | 72.61, -14.26 | out-out | out | 15.1917 | Saltbr-out | 14.9617 | HRD-in | -80.92, -60.84 | 81.86, -30.6 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.0023 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -105.87, -11.29 | APE9-dihe-na | -57.12, -54.84 | APE8-dihe-out | -27.85, -44.26 | APE8-rot-out | 166.81 | APE67-dihe-in | -63.55, -27.32 | -68.5, -32.88 | APE12-dist-out | 18.2556 | APE11-dist-out | 17.5444 | APE10-dist-out | 21.4929 | APE9-dist-out | 11.9321 | None | None | None | XRAY | 2.75 | 0.229 | 0.274 | C | 302.0 | 291.0 | 0 | 28 | 28 | 0 | [[4, 287]] | 1.0 | 6gu7 | CMGC_CDK1_HUMAN | CMGC | 2.7e-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 | 6GU7E | P06493 | 1 | 292 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 6.026 | 13.4685 | BLBplus | -107.29, 155.9 | 68.0, 8.68 | -46.17, 137.77 | 56.37, 84.56 | 69.21, -9.55 | out-out | out | 15.0759 | Saltbr-out | 15.0177 | HRD-in | -80.76, -60.06 | 81.71, -29.2 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.8029 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -31.91 | APE8-dihe-out | -49.07, -44.03 | APE8-rot-out | 166.66 | APE67-dihe-in | -64.34, -27.02 | -69.42, -32.96 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.9349 | None | None | None | XRAY | 2.75 | 0.229 | 0.274 | E | 302.0 | 284.0 | 8 | 28 | 20 | 8 | [[4, 287]] | 1.0 | 6gu7 | CMGC_CDK1_HUMAN | CMGC | 2.7e-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 | 6GU7G | P06493 | 1 | 291 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9727 | 13.3907 | BLBplus | -108.04, 157.62 | 67.49, 9.03 | -46.18, 137.3 | 55.51, 83.83 | 62.03, -5.61 | out-out | out | 15.1325 | Saltbr-out | 14.4536 | HRD-in | -80.19, -62.0 | 67.33, 20.79 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.0923 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -31.67 | APE8-dihe-out | -47.78, -44.46 | APE8-rot-out | 167.03 | APE67-dihe-in | -62.13, -27.75 | -68.64, -33.47 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 12.4112 | None | None | None | XRAY | 2.75 | 0.229 | 0.274 | G | 302.0 | 283.0 | 8 | 28 | 20 | 8 | [[4, 287]] | 1.0 | 6gu7 | CMGC_CDK1_HUMAN | CMGC | 2.7e-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 | 6GU7A | P06493 | 1 | 293 | 297.0 | FB8:301 | Type1 | Inactive | DFGin | 5.8755 | 13.1483 | BLBplus | -108.21, 158.14 | 67.09, 8.94 | -46.0, 137.07 | 56.26, 84.07 | 59.09, 0.25 | out-out | out | 14.9528 | Saltbr-out | 14.2323 | HRD-in | -80.12, -60.39 | 82.56, -20.14 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.159 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -32.1 | APE8-dihe-out | -48.11, -44.27 | APE8-rot-out | 166.99 | APE67-dihe-in | -63.08, -28.41 | -69.08, -32.32 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 12.0896 | None | None | None | XRAY | 2.75 | 0.229 | 0.274 | A | 302.0 | 284.0 | 9 | 28 | 19 | 9 | [[4, 287]] | 1.0 | 6gu7 | CMGC_CDK1_HUMAN | CMGC | 2.7e-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 | 6GU7C | P06493 | 1 | 291 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9493 | 13.3982 | BLBplus | -107.31, 156.68 | 67.8, 8.48 | -46.38, 137.91 | 57.04, 84.17 | 72.61, -14.26 | out-out | out | 15.1917 | Saltbr-out | 14.9617 | HRD-in | -80.92, -60.84 | 81.86, -30.6 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.0023 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -105.87, -11.29 | APE9-dihe-na | -57.12, -54.84 | APE8-dihe-out | -27.85, -44.26 | APE8-rot-out | 166.81 | APE67-dihe-in | -63.55, -27.32 | -68.5, -32.88 | APE12-dist-out | 18.2556 | APE11-dist-out | 17.5444 | APE10-dist-out | 21.4929 | APE9-dist-out | 11.9321 | None | None | None | XRAY | 2.75 | 0.229 | 0.274 | C | 302.0 | 291.0 | 0 | 28 | 28 | 0 | [[4, 287]] | 1.0 | 6gu7 | Homo sapiens | CMGC_CDK1_HUMAN | CMGC | 2.7e-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 | 6GU7E | P06493 | 1 | 292 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 6.026 | 13.4685 | BLBplus | -107.29, 155.9 | 68.0, 8.68 | -46.17, 137.77 | 56.37, 84.56 | 69.21, -9.55 | out-out | out | 15.0759 | Saltbr-out | 15.0177 | HRD-in | -80.76, -60.06 | 81.71, -29.2 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.8029 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -31.91 | APE8-dihe-out | -49.07, -44.03 | APE8-rot-out | 166.66 | APE67-dihe-in | -64.34, -27.02 | -69.42, -32.96 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.9349 | None | None | None | XRAY | 2.75 | 0.229 | 0.274 | E | 302.0 | 284.0 | 8 | 28 | 20 | 8 | [[4, 287]] | 1.0 | 6gu7 | Homo sapiens | CMGC_CDK1_HUMAN | CMGC | 2.7e-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 | 6GU7G | P06493 | 1 | 291 | 297.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9727 | 13.3907 | BLBplus | -108.04, 157.62 | 67.49, 9.03 | -46.18, 137.3 | 55.51, 83.83 | 62.03, -5.61 | out-out | out | 15.1325 | Saltbr-out | 14.4536 | HRD-in | -80.19, -62.0 | 67.33, 20.79 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.0923 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -31.67 | APE8-dihe-out | -47.78, -44.46 | APE8-rot-out | 167.03 | APE67-dihe-in | -62.13, -27.75 | -68.64, -33.47 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 12.4112 | None | None | None | XRAY | 2.75 | 0.229 | 0.274 | G | 302.0 | 283.0 | 8 | 28 | 20 | 8 | [[4, 287]] | 1.0 | 6gu7 | Homo sapiens | CMGC_CDK1_HUMAN | CMGC | 2.7e-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 | 6GU7A | P06493 | 1 | 293 | 297.0 | FB8:301 | Type1 | Inactive | DFGin | 5.8755 | 13.1483 | BLBplus | -108.21, 158.14 | 67.09, 8.94 | -46.0, 137.07 | 56.26, 84.07 | 59.09, 0.25 | out-out | out | 14.9528 | Saltbr-out | 14.2323 | HRD-in | -80.12, -60.39 | 82.56, -20.14 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.159 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -32.1 | APE8-dihe-out | -48.11, -44.27 | APE8-rot-out | 166.99 | APE67-dihe-in | -63.08, -28.41 | -69.08, -32.32 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 12.0896 | None | None | None | XRAY | 2.75 | 0.229 | 0.274 | A | 302.0 | 284.0 | 9 | 28 | 19 | 9 | [[4, 287]] | 1.0 | 6gu7 | Homo sapiens | CMGC_CDK1_HUMAN | CMGC | 2.7e-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 |
|---|