| 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 | 4APCA | Q96PY6 | 1 | 284 | 1258.0 | No_ligand | No_ligand | Inactive | DFGinter | 9.6436 | 5.9989 | BABtrans | -56.67, 136.95 | -74.99, -38.65 | -62.93, 130.11 | 204.86, 72.11 | 112.63, -15.33 | out-none | out | 11.4846 | Saltbr-none | 999.0 | HRD-out | -132.48, 108.44 | -75.85, -8.05 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 5.3591 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -88.83, -42.36 | APE9-dihe-na | -95.57, -114.29 | APE8-dihe-in | -105.03, 125.23 | APE8-rot-in | 310.11 | APE67-dihe-in | -73.53, -9.9 | -94.81, -5.15 | APE12-dist-out | 15.9707 | APE11-dist-out | 20.7331 | APE10-dist-out | 18.8674 | APE9-dist-out | 10.4316 | T162A | None | None | XRAY | 2.1 | 0.216 | 0.248 | A | 350.0 | 278.0 | 6 | 28 | 28 | 0 | [[4, 258]] | 1.0 | 4apc | NEK_NEK1_HUMAN | NEK | 2e-117 | 397.3 | 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 | 4APCB | Q96PY6 | 1 | 284 | 1258.0 | No_ligand | No_ligand | Inactive | DFGinter | 9.5524 | 6.1025 | BABtrans | -57.58, 134.02 | -75.98, -33.46 | -60.99, 130.52 | 202.95, 70.38 | 110.42, -15.38 | out-out | out | 11.7317 | Saltbr-out | 12.8771 | HRD-out | -131.41, 107.06 | -74.49, -7.52 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.3523 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -75.97, -42.82 | APE9-dihe-na | -96.64, -115.4 | APE8-dihe-in | -106.78, 122.56 | APE8-rot-in | 310.29 | APE67-dihe-in | -74.36, -7.84 | -93.49, -5.36 | APE12-dist-out | 15.8766 | APE11-dist-out | 20.6288 | APE10-dist-out | 18.8135 | APE9-dist-out | 10.4107 | T162A | None | None | XRAY | 2.1 | 0.216 | 0.248 | B | 350.0 | 279.0 | 5 | 28 | 28 | 0 | [[4, 258]] | 1.0 | 4apc | NEK_NEK1_HUMAN | NEK | 2e-117 | 397.3 | 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 | 4APCA | Q96PY6 | 1 | 284 | 1258.0 | No_ligand | No_ligand | Inactive | DFGinter | 9.6436 | 5.9989 | BABtrans | -56.67, 136.95 | -74.99, -38.65 | -62.93, 130.11 | 204.86, 72.11 | 112.63, -15.33 | out-none | out | 11.4846 | Saltbr-none | 999.0 | HRD-out | -132.48, 108.44 | -75.85, -8.05 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 5.3591 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -88.83, -42.36 | APE9-dihe-na | -95.57, -114.29 | APE8-dihe-in | -105.03, 125.23 | APE8-rot-in | 310.11 | APE67-dihe-in | -73.53, -9.9 | -94.81, -5.15 | APE12-dist-out | 15.9707 | APE11-dist-out | 20.7331 | APE10-dist-out | 18.8674 | APE9-dist-out | 10.4316 | T162A | None | None | XRAY | 2.1 | 0.216 | 0.248 | A | 350.0 | 278.0 | 6 | 28 | 28 | 0 | [[4, 258]] | 1.0 | 4apc | Homo sapiens | NEK_NEK1_HUMAN | NEK | 2e-117 | 397.3 | 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 | 4APCB | Q96PY6 | 1 | 284 | 1258.0 | No_ligand | No_ligand | Inactive | DFGinter | 9.5524 | 6.1025 | BABtrans | -57.58, 134.02 | -75.98, -33.46 | -60.99, 130.52 | 202.95, 70.38 | 110.42, -15.38 | out-out | out | 11.7317 | Saltbr-out | 12.8771 | HRD-out | -131.41, 107.06 | -74.49, -7.52 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.3523 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -75.97, -42.82 | APE9-dihe-na | -96.64, -115.4 | APE8-dihe-in | -106.78, 122.56 | APE8-rot-in | 310.29 | APE67-dihe-in | -74.36, -7.84 | -93.49, -5.36 | APE12-dist-out | 15.8766 | APE11-dist-out | 20.6288 | APE10-dist-out | 18.8135 | APE9-dist-out | 10.4107 | T162A | None | None | XRAY | 2.1 | 0.216 | 0.248 | B | 350.0 | 279.0 | 5 | 28 | 28 | 0 | [[4, 258]] | 1.0 | 4apc | Homo sapiens | NEK_NEK1_HUMAN | NEK | 2e-117 | 397.3 | 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 |
|---|