| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CAMK | AURKA | AURKA_HUMAN | AF-O14965-K1A | O14965 | 125 | 391 | 403.0 | No_ligand | No_ligand | Active | DFGin | 5.5289 | 14.8803 | BLAminus | -132.48, -179.84 | 57.24, 70.17 | -79.24, 16.4 | 282.35, 77.01 | -58.05, -32.04 | in-in | in | 9.2276 | Saltbr-in | 2.708 | HRD-in | -80.88, -51.09 | 67.96, 12.7 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9572 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -159.18, 173.11 | APE9-dihe-na | 86.42, -161.65 | APE8-dihe-in | -116.22, 122.78 | APE8-rot-in | 305.5 | APE67-dihe-in | -58.7, -20.28 | -46.82, -49.92 | APE12-dist-in | 8.4312 | APE11-dist-in | 11.2268 | APE10-dist-in | 5.5558 | APE9-dist-in | 3.551 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 267.0 | 267.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | AF-O14965-K1 | CAMK_AURKA_HUMAN | CAMK | 6e-80 | 274.2 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | AF-O14965-K3A | O14965 | 125 | 391 | 403.0 | No_ligand | No_ligand | Active | DFGin | 5.6976 | 15.2161 | BLAminus | -127.1, 175.03 | 53.67, 75.17 | -77.09, 18.89 | 286.79, 79.82 | -57.24, -36.78 | in-in | in | 9.9525 | Saltbr-in | 2.8263 | HRD-in | -82.42, -50.55 | 68.17, 14.97 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9389 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -156.94, 160.76 | APE9-dihe-na | 99.46, -154.48 | APE8-dihe-in | -120.71, 133.3 | APE8-rot-in | 307.63 | APE67-dihe-in | -63.76, -17.86 | -47.79, -50.9 | APE12-dist-in | 8.7606 | APE11-dist-in | 11.2833 | APE10-dist-in | 5.5717 | APE9-dist-in | 3.5882 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 267.0 | 267.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | AF-O14965-K3 | CAMK_AURKA_HUMAN | CAMK | 6e-80 | 274.2 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CAMK | AURKA | AURKA_HUMAN | AF-O14965-K1A | O14965 | 125 | 391 | 403.0 | No_ligand | No_ligand | Active | DFGin | 5.5289 | 14.8803 | BLAminus | -132.48, -179.84 | 57.24, 70.17 | -79.24, 16.4 | 282.35, 77.01 | -58.05, -32.04 | in-in | in | 9.2276 | Saltbr-in | 2.708 | HRD-in | -80.88, -51.09 | 67.96, 12.7 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9572 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -159.18, 173.11 | APE9-dihe-na | 86.42, -161.65 | APE8-dihe-in | -116.22, 122.78 | APE8-rot-in | 305.5 | APE67-dihe-in | -58.7, -20.28 | -46.82, -49.92 | APE12-dist-in | 8.4312 | APE11-dist-in | 11.2268 | APE10-dist-in | 5.5558 | APE9-dist-in | 3.551 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 267.0 | 267.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | AF-O14965-K1 | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 6e-80 | 274.2 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | AF-O14965-K3A | O14965 | 125 | 391 | 403.0 | No_ligand | No_ligand | Active | DFGin | 5.6976 | 15.2161 | BLAminus | -127.1, 175.03 | 53.67, 75.17 | -77.09, 18.89 | 286.79, 79.82 | -57.24, -36.78 | in-in | in | 9.9525 | Saltbr-in | 2.8263 | HRD-in | -82.42, -50.55 | 68.17, 14.97 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9389 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -156.94, 160.76 | APE9-dihe-na | 99.46, -154.48 | APE8-dihe-in | -120.71, 133.3 | APE8-rot-in | 307.63 | APE67-dihe-in | -63.76, -17.86 | -47.79, -50.9 | APE12-dist-in | 8.7606 | APE11-dist-in | 11.2833 | APE10-dist-in | 5.5717 | APE9-dist-in | 3.5882 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 267.0 | 267.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | AF-O14965-K3 | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 6e-80 | 274.2 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| 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 |
|---|