| 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 | NEK2 | NEK2_HUMAN | AF-P51955-K1A | P51955 | 1 | 279 | 445.0 | No_ligand | No_ligand | Active | DFGin | 6.8687 | 14.6331 | BLAminus | -133.95, -173.4 | 54.79, 72.42 | -82.83, 18.74 | 289.02, 77.16 | -61.4, -26.12 | out-in | out | 10.0025 | Saltbr-in | 3.2789 | HRD-in | -72.13, -45.55 | 64.71, 0.38 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8396 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.02, 153.79 | APE9-dihe-na | 121.29, 162.72 | APE8-dihe-in | -74.75, 126.9 | APE8-rot-in | 300.51 | APE67-dihe-in | -70.7, -19.6 | -51.47, -35.98 | APE12-dist-in | 8.9897 | APE11-dist-in | 12.023 | APE10-dist-in | 6.0446 | APE9-dist-in | 3.3861 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 279.0 | 279.0 | 0 | 28 | 28 | 0 | [[8, 271]] | 1.0 | AF-P51955-K1 | NEK_NEK2_HUMAN | NEK | 7.7e-110 | 372.3 | 1.0 | 256.0 | 256.0 | 158 | 159 | 160 | 162 | 164 | 37 | 55 | 59 | 138 | 140 | 139 | 141.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 87 | Serine/threonine-protein kinase Nek2 |
| NEK | NEK2 | NEK2_HUMAN | AF-P51955-K3A | P51955 | 1 | 279 | 445.0 | No_ligand | No_ligand | Active | DFGin | 6.9739 | 14.5183 | BLAminus | -137.03, -171.55 | 54.92, 64.89 | -76.15, 14.43 | 291.41, 82.24 | -62.84, -23.1 | in-in | in | 9.4376 | Saltbr-in | 3.2489 | HRD-in | -75.06, -47.19 | 67.7, -5.95 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8512 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.44, 154.63 | APE9-dihe-na | 115.59, 177.84 | APE8-dihe-in | -86.96, 123.76 | APE8-rot-in | 298.85 | APE67-dihe-in | -69.6, -21.35 | -53.86, -31.33 | APE12-dist-in | 9.054 | APE11-dist-in | 11.8788 | APE10-dist-in | 5.9578 | APE9-dist-in | 3.3076 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 279.0 | 279.0 | 0 | 28 | 28 | 0 | [[8, 271]] | 1.0 | AF-P51955-K3 | NEK_NEK2_HUMAN | NEK | 7.7e-110 | 372.3 | 1.0 | 256.0 | 256.0 | 158 | 159 | 160 | 162 | 164 | 37 | 55 | 59 | 138 | 140 | 139 | 141.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 87 | Serine/threonine-protein kinase Nek2 |
| 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 | NEK2 | NEK2_HUMAN | AF-P51955-K1A | P51955 | 1 | 279 | 445.0 | No_ligand | No_ligand | Active | DFGin | 6.8687 | 14.6331 | BLAminus | -133.95, -173.4 | 54.79, 72.42 | -82.83, 18.74 | 289.02, 77.16 | -61.4, -26.12 | out-in | out | 10.0025 | Saltbr-in | 3.2789 | HRD-in | -72.13, -45.55 | 64.71, 0.38 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8396 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.02, 153.79 | APE9-dihe-na | 121.29, 162.72 | APE8-dihe-in | -74.75, 126.9 | APE8-rot-in | 300.51 | APE67-dihe-in | -70.7, -19.6 | -51.47, -35.98 | APE12-dist-in | 8.9897 | APE11-dist-in | 12.023 | APE10-dist-in | 6.0446 | APE9-dist-in | 3.3861 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 279.0 | 279.0 | 0 | 28 | 28 | 0 | [[8, 271]] | 1.0 | AF-P51955-K1 | Homo sapiens | NEK_NEK2_HUMAN | NEK | 7.7e-110 | 372.3 | 1.0 | 256.0 | 256.0 | 158 | 159 | 160 | 162 | 164 | 37 | 55 | 59 | 138 | 140 | 139 | 141.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 87 | Serine/threonine-protein kinase Nek2 |
| NEK | NEK2 | NEK2_HUMAN | AF-P51955-K3A | P51955 | 1 | 279 | 445.0 | No_ligand | No_ligand | Active | DFGin | 6.9739 | 14.5183 | BLAminus | -137.03, -171.55 | 54.92, 64.89 | -76.15, 14.43 | 291.41, 82.24 | -62.84, -23.1 | in-in | in | 9.4376 | Saltbr-in | 3.2489 | HRD-in | -75.06, -47.19 | 67.7, -5.95 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8512 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.44, 154.63 | APE9-dihe-na | 115.59, 177.84 | APE8-dihe-in | -86.96, 123.76 | APE8-rot-in | 298.85 | APE67-dihe-in | -69.6, -21.35 | -53.86, -31.33 | APE12-dist-in | 9.054 | APE11-dist-in | 11.8788 | APE10-dist-in | 5.9578 | APE9-dist-in | 3.3076 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 279.0 | 279.0 | 0 | 28 | 28 | 0 | [[8, 271]] | 1.0 | AF-P51955-K3 | Homo sapiens | NEK_NEK2_HUMAN | NEK | 7.7e-110 | 372.3 | 1.0 | 256.0 | 256.0 | 158 | 159 | 160 | 162 | 164 | 37 | 55 | 59 | 138 | 140 | 139 | 141.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 87 | Serine/threonine-protein kinase Nek2 |
| 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 |
|---|