| 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 | NEK7 | NEK7_HUMAN | 5DE2A | Q8TDX7 | 20 | 300 | 302.0 | No_ligand | No_ligand | Inactive | DFGout | 15.9563 | 9.9752 | None | -128.71, -164.31 | -159.55, 105.35 | -134.06, 13.95 | 44.91, 64.73 | -53.86, 999.0 | out-out | out | 12.4547 | Saltbr-out | 10.1523 | HRD-in | -75.93, -50.83 | 83.71, -4.84 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nnno | APE10-dihe-na | -106.4, -83.92 | APE9-dihe-na | 54.75, 40.12 | APE8-dihe-out | -123.55, -175.62 | APE8-rot-out | 53.04 | APE67-dihe-out | -60.87, -48.39 | -64.23, 167.36 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.5829 | Y97F | None | None | XRAY | 2.78 | 0.208 | 0.254 | A | 310.0 | 267.0 | 14 | 28 | 14 | 14 | [[34, 294]] | 1.0 | 5de2 | NEK_NEK7_HUMAN | NEK | 1.1e-109 | 371.9 | 1.0 | 255.0 | 255.0 | 178 | 179 | 180 | 182 | 184 | 63 | 82 | 86 | 158 | 160 | 159 | 161.0 | 218 | 206 | 201 | 200 | 199 | 198 | 197 | 196 | 195 | 112 | Serine/threonine-protein kinase Nek7 |
| NEK | NEK7 | NEK7_HUMAN | 5DE2B | Q8TDX7 | 20 | 300 | 302.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -122.26, 169.15 | -110.33, -36.5 | -85.96, 999.0 | 999.0, 999.0 | 999.0, 999.0 | out-out | out | 12.616 | Saltbr-out | 10.4059 | HRD-in | -69.6, -49.19 | 79.72, -12.68 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -73.41, -54.18 | 999.0, 123.9 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | Y97F | None | None | XRAY | 2.78 | 0.208 | 0.254 | B | 310.0 | 262.0 | 19 | 28 | 9 | 19 | [[34, 294]] | 1.0 | 5de2 | NEK_NEK7_HUMAN | NEK | 1.1e-109 | 371.9 | 1.0 | 255.0 | 255.0 | 178 | 179 | 180 | 182 | 184 | 63 | 82 | 86 | 158 | 160 | 159 | 161.0 | 218 | 206 | 201 | 200 | 199 | 198 | 197 | 196 | 195 | 112 | Serine/threonine-protein kinase Nek7 |
| 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 | NEK7 | NEK7_HUMAN | 5DE2A | Q8TDX7 | 20 | 300 | 302.0 | No_ligand | No_ligand | Inactive | DFGout | 15.9563 | 9.9752 | None | -128.71, -164.31 | -159.55, 105.35 | -134.06, 13.95 | 44.91, 64.73 | -53.86, 999.0 | out-out | out | 12.4547 | Saltbr-out | 10.1523 | HRD-in | -75.93, -50.83 | 83.71, -4.84 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nnno | APE10-dihe-na | -106.4, -83.92 | APE9-dihe-na | 54.75, 40.12 | APE8-dihe-out | -123.55, -175.62 | APE8-rot-out | 53.04 | APE67-dihe-out | -60.87, -48.39 | -64.23, 167.36 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.5829 | Y97F | None | None | XRAY | 2.78 | 0.208 | 0.254 | A | 310.0 | 267.0 | 14 | 28 | 14 | 14 | [[34, 294]] | 1.0 | 5de2 | Homo sapiens | NEK_NEK7_HUMAN | NEK | 1.1e-109 | 371.9 | 1.0 | 255.0 | 255.0 | 178 | 179 | 180 | 182 | 184 | 63 | 82 | 86 | 158 | 160 | 159 | 161.0 | 218 | 206 | 201 | 200 | 199 | 198 | 197 | 196 | 195 | 112 | Serine/threonine-protein kinase Nek7 |
| NEK | NEK7 | NEK7_HUMAN | 5DE2B | Q8TDX7 | 20 | 300 | 302.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -122.26, 169.15 | -110.33, -36.5 | -85.96, 999.0 | 999.0, 999.0 | 999.0, 999.0 | out-out | out | 12.616 | Saltbr-out | 10.4059 | HRD-in | -69.6, -49.19 | 79.72, -12.68 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -73.41, -54.18 | 999.0, 123.9 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | Y97F | None | None | XRAY | 2.78 | 0.208 | 0.254 | B | 310.0 | 262.0 | 19 | 28 | 9 | 19 | [[34, 294]] | 1.0 | 5de2 | Homo sapiens | NEK_NEK7_HUMAN | NEK | 1.1e-109 | 371.9 | 1.0 | 255.0 | 255.0 | 178 | 179 | 180 | 182 | 184 | 63 | 82 | 86 | 158 | 160 | 159 | 161.0 | 218 | 206 | 201 | 200 | 199 | 198 | 197 | 196 | 195 | 112 | Serine/threonine-protein kinase Nek7 |
| 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 |
|---|