| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NEK | NEK1 | NEK1_HUMAN | AF-Q96PY6-K1A | Q96PY6 | 1 | 266 | 1258.0 | No_ligand | No_ligand | Active | DFGin | 6.3354 | 14.4945 | BLAminus | -134.89, -170.37 | 56.21, 76.6 | -88.15, 17.38 | 287.19, 77.32 | -63.06, -23.12 | in-in | in | 8.8489 | Saltbr-in | 2.7035 | HRD-in | -74.84, -44.42 | 65.12, 4.26 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.829 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -148.21, 150.58 | APE9-dihe-na | 123.75, 169.73 | APE8-dihe-in | -71.78, 127.34 | APE8-rot-in | 301.7 | APE67-dihe-in | -71.82, -21.68 | -49.23, -41.12 | APE12-dist-in | 9.2555 | APE11-dist-in | 12.4856 | APE10-dist-in | 6.6965 | APE9-dist-in | 3.5642 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 266.0 | 266.0 | 0 | 28 | 28 | 0 | [[4, 258]] | 1.0 | AF-Q96PY6-K1 | NEK_NEK1_HUMAN | NEK | 1.7e-118 | 400.7 | 1.0 | 256.0 | 256.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 185 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Serine/threonine-protein kinase Nek1 |
| NEK | NEK1 | NEK1_HUMAN | AF-Q96PY6-K3A | Q96PY6 | 1 | 266 | 1258.0 | No_ligand | No_ligand | Active | DFGin | 6.7665 | 14.4455 | BLAminus | -139.16, -171.33 | 53.91, 73.21 | -83.79, 17.52 | 290.29, 79.37 | -64.02, -21.09 | in-in | in | 8.5958 | Saltbr-in | 2.72 | HRD-in | -73.82, -44.01 | 66.18, -13.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8427 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -148.99, 148.47 | APE9-dihe-na | 131.06, 169.83 | APE8-dihe-in | -74.74, 126.62 | APE8-rot-in | 298.85 | APE67-dihe-in | -66.5, -15.67 | -48.65, -43.65 | APE12-dist-in | 9.1409 | APE11-dist-in | 12.3429 | APE10-dist-in | 6.576 | APE9-dist-in | 3.5677 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 266.0 | 266.0 | 0 | 28 | 28 | 0 | [[4, 258]] | 1.0 | AF-Q96PY6-K3 | NEK_NEK1_HUMAN | NEK | 1.7e-118 | 400.7 | 1.0 | 256.0 | 256.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 185 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Serine/threonine-protein kinase Nek1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NEK | NEK1 | NEK1_HUMAN | AF-Q96PY6-K1A | Q96PY6 | 1 | 266 | 1258.0 | No_ligand | No_ligand | Active | DFGin | 6.3354 | 14.4945 | BLAminus | -134.89, -170.37 | 56.21, 76.6 | -88.15, 17.38 | 287.19, 77.32 | -63.06, -23.12 | in-in | in | 8.8489 | Saltbr-in | 2.7035 | HRD-in | -74.84, -44.42 | 65.12, 4.26 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.829 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -148.21, 150.58 | APE9-dihe-na | 123.75, 169.73 | APE8-dihe-in | -71.78, 127.34 | APE8-rot-in | 301.7 | APE67-dihe-in | -71.82, -21.68 | -49.23, -41.12 | APE12-dist-in | 9.2555 | APE11-dist-in | 12.4856 | APE10-dist-in | 6.6965 | APE9-dist-in | 3.5642 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 266.0 | 266.0 | 0 | 28 | 28 | 0 | [[4, 258]] | 1.0 | AF-Q96PY6-K1 | Homo sapiens | NEK_NEK1_HUMAN | NEK | 1.7e-118 | 400.7 | 1.0 | 256.0 | 256.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 185 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Serine/threonine-protein kinase Nek1 |
| NEK | NEK1 | NEK1_HUMAN | AF-Q96PY6-K3A | Q96PY6 | 1 | 266 | 1258.0 | No_ligand | No_ligand | Active | DFGin | 6.7665 | 14.4455 | BLAminus | -139.16, -171.33 | 53.91, 73.21 | -83.79, 17.52 | 290.29, 79.37 | -64.02, -21.09 | in-in | in | 8.5958 | Saltbr-in | 2.72 | HRD-in | -73.82, -44.01 | 66.18, -13.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8427 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -148.99, 148.47 | APE9-dihe-na | 131.06, 169.83 | APE8-dihe-in | -74.74, 126.62 | APE8-rot-in | 298.85 | APE67-dihe-in | -66.5, -15.67 | -48.65, -43.65 | APE12-dist-in | 9.1409 | APE11-dist-in | 12.3429 | APE10-dist-in | 6.576 | APE9-dist-in | 3.5677 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 266.0 | 266.0 | 0 | 28 | 28 | 0 | [[4, 258]] | 1.0 | AF-Q96PY6-K3 | Homo sapiens | NEK_NEK1_HUMAN | NEK | 1.7e-118 | 400.7 | 1.0 | 256.0 | 256.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 185 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Serine/threonine-protein kinase Nek1 |
| 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 |
|---|