| 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 | 4DHFA | O14965 | 128 | 389 | 403.0 | 0K6:401 | Type1 | Inactive | DFGin | 6.0606 | 15.9561 | None | -124.92, -165.4 | 70.7, -102.39 | 69.61, 140.83 | 290.26, 89.34 | 63.95, 95.41 | in-in | in | 8.9889 | Saltbr-in | 2.893 | HRD-in | -73.28, -47.83 | 72.66, -2.67 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.5586 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nnoo | APE10-dihe-na | 999.0, -6.14 | APE9-dihe-na | -59.01, 54.1 | APE8-dihe-out | 19.82, 17.91 | APE8-rot-out | 105.73 | APE67-dihe-out | -28.21, -43.1 | 61.5, -49.87 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 12.7292 | APE9-dist-out | 7.9962 | T287D,T288D | None | None | XRAY | 2.8 | 0.21 | 0.299 | A | 271.0 | 258.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 4dhf | CAMK_AURKA_HUMAN | CAMK | 1.8e-79 | 272.6 | 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 | 4DHFB | O14965 | 128 | 389 | 403.0 | 0K6:401 | Type1 | Inactive | DFGin | 6.2133 | 16.1482 | None | -129.3, -166.63 | 71.78, -102.87 | 78.31, 163.45 | 277.6, 93.12 | 43.8, 85.35 | in-in | in | 9.3755 | Saltbr-in | 3.1006 | HRD-in | -78.27, -44.01 | 67.72, -6.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9195 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nnoo | APE10-dihe-na | 999.0, -62.03 | APE9-dihe-na | -175.18, -54.66 | APE8-dihe-out | 61.81, -74.57 | APE8-rot-out | 81.7 | APE67-dihe-out | -53.34, -26.37 | 96.06, -28.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.9693 | APE9-dist-out | 10.0958 | T287D,T288D | None | None | XRAY | 2.8 | 0.21 | 0.299 | B | 271.0 | 258.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 4dhf | CAMK_AURKA_HUMAN | CAMK | 1.8e-79 | 272.6 | 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 | 4DHFA | O14965 | 128 | 389 | 403.0 | 0K6:401 | Type1 | Inactive | DFGin | 6.0606 | 15.9561 | None | -124.92, -165.4 | 70.7, -102.39 | 69.61, 140.83 | 290.26, 89.34 | 63.95, 95.41 | in-in | in | 8.9889 | Saltbr-in | 2.893 | HRD-in | -73.28, -47.83 | 72.66, -2.67 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.5586 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nnoo | APE10-dihe-na | 999.0, -6.14 | APE9-dihe-na | -59.01, 54.1 | APE8-dihe-out | 19.82, 17.91 | APE8-rot-out | 105.73 | APE67-dihe-out | -28.21, -43.1 | 61.5, -49.87 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 12.7292 | APE9-dist-out | 7.9962 | T287D,T288D | None | None | XRAY | 2.8 | 0.21 | 0.299 | A | 271.0 | 258.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 4dhf | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 1.8e-79 | 272.6 | 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 | 4DHFB | O14965 | 128 | 389 | 403.0 | 0K6:401 | Type1 | Inactive | DFGin | 6.2133 | 16.1482 | None | -129.3, -166.63 | 71.78, -102.87 | 78.31, 163.45 | 277.6, 93.12 | 43.8, 85.35 | in-in | in | 9.3755 | Saltbr-in | 3.1006 | HRD-in | -78.27, -44.01 | 67.72, -6.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9195 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nnoo | APE10-dihe-na | 999.0, -62.03 | APE9-dihe-na | -175.18, -54.66 | APE8-dihe-out | 61.81, -74.57 | APE8-rot-out | 81.7 | APE67-dihe-out | -53.34, -26.37 | 96.06, -28.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.9693 | APE9-dist-out | 10.0958 | T287D,T288D | None | None | XRAY | 2.8 | 0.21 | 0.299 | B | 271.0 | 258.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 4dhf | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 1.8e-79 | 272.6 | 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 |
|---|