| 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 | 8PR7D | O14965 | 126 | 388 | 403.0 | ADP:501 | ATPlike | Inactive | DFGin | 6.9163 | 17.6819 | BLBminus | -119.47, -172.43 | 57.55, 67.82 | -98.5, 138.77 | 288.48, 69.88 | 152.2, -37.73 | out-none | out | 11.7807 | Saltbr-none | 999.0 | HRD-in | -89.57, -45.69 | 63.63, 4.27 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoni | APEdist_nnoo | APE10-dihe-na | 999.0, 178.01 | APE9-dihe-na | 51.17, 13.86 | APE8-dihe-out | -88.74, -9.17 | APE8-rot-none | 999.0 | APE67-dihe-in | -65.89, -30.04 | -136.83, 2.79 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.9294 | APE9-dist-out | 11.3958 | D274N,C290A,N332A,Q335A,T347A,D350A,C393A | None | None | XRAY | 2.76 | 0.205 | 0.256 | D | 283.0 | 251.0 | 12 | 26 | 14 | 12 | [[133, 383]] | 1.0 | 8pr7 | CAMK_AURKA_HUMAN | CAMK | 3e-77 | 265.4 | 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 | 8PR7A | O14965 | 124 | 389 | 403.0 | ADP:501 | ATPlike | Inactive | DFGinter | 5.0698 | 10.2727 | None | -105.95, 148.75 | -124.79, 28.7 | -129.06, 999.0 | 303.51, 120.23 | 999.0, 999.0 | out-out | out | 12.4819 | Saltbr-out | 11.7057 | HRD-out | 52.78, 71.6 | -97.43, 142.22 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 47.95, -115.05 | APE9-dihe-na | -125.01, 9.37 | APE8-dihe-out | -40.29, -50.01 | APE8-rot-out | 85.86 | APE67-dihe-in | -55.11, -34.07 | -62.49, -38.08 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.8319 | D274N,C290A,N332A,Q335A,T347A,D350A,C393A | None | None | XRAY | 2.76 | 0.205 | 0.256 | A | 283.0 | 253.0 | 13 | 26 | 13 | 13 | [[133, 383]] | 1.0 | 8pr7 | CAMK_AURKA_HUMAN | CAMK | 3e-77 | 265.4 | 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 | 8PR7D | O14965 | 126 | 388 | 403.0 | ADP:501 | ATPlike | Inactive | DFGin | 6.9163 | 17.6819 | BLBminus | -119.47, -172.43 | 57.55, 67.82 | -98.5, 138.77 | 288.48, 69.88 | 152.2, -37.73 | out-none | out | 11.7807 | Saltbr-none | 999.0 | HRD-in | -89.57, -45.69 | 63.63, 4.27 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoni | APEdist_nnoo | APE10-dihe-na | 999.0, 178.01 | APE9-dihe-na | 51.17, 13.86 | APE8-dihe-out | -88.74, -9.17 | APE8-rot-none | 999.0 | APE67-dihe-in | -65.89, -30.04 | -136.83, 2.79 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.9294 | APE9-dist-out | 11.3958 | D274N,C290A,N332A,Q335A,T347A,D350A,C393A | None | None | XRAY | 2.76 | 0.205 | 0.256 | D | 283.0 | 251.0 | 12 | 26 | 14 | 12 | [[133, 383]] | 1.0 | 8pr7 | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 3e-77 | 265.4 | 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 | 8PR7A | O14965 | 124 | 389 | 403.0 | ADP:501 | ATPlike | Inactive | DFGinter | 5.0698 | 10.2727 | None | -105.95, 148.75 | -124.79, 28.7 | -129.06, 999.0 | 303.51, 120.23 | 999.0, 999.0 | out-out | out | 12.4819 | Saltbr-out | 11.7057 | HRD-out | 52.78, 71.6 | -97.43, 142.22 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 47.95, -115.05 | APE9-dihe-na | -125.01, 9.37 | APE8-dihe-out | -40.29, -50.01 | APE8-rot-out | 85.86 | APE67-dihe-in | -55.11, -34.07 | -62.49, -38.08 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.8319 | D274N,C290A,N332A,Q335A,T347A,D350A,C393A | None | None | XRAY | 2.76 | 0.205 | 0.256 | A | 283.0 | 253.0 | 13 | 26 | 13 | 13 | [[133, 383]] | 1.0 | 8pr7 | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 3e-77 | 265.4 | 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 |
|---|