| 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 | 2J50A | O14965 | 128 | 389 | 403.0 | 627:1390 | Type1 | Inactive | DFGinter | 9.2461 | 7.0202 | None | -113.57, -10.87 | -64.28, 174.0 | -114.87, 30.19 | 305.8, 146.38 | -88.31, 66.84 | out-out | out | 12.5095 | Saltbr-out | 9.2938 | HRD-out | -123.95, 152.65 | -81.99, -145.81 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.4444 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -105.31, 129.43 | APE9-dihe-na | 72.62, 27.27 | APE8-dihe-out | -102.11, -34.98 | APE8-rot-in | 309.79 | APE67-dihe-in | -58.95, -17.94 | -50.8, -43.26 | APE12-dist-out | 19.5659 | APE11-dist-out | 16.6559 | APE10-dist-out | 20.8024 | APE9-dist-out | 14.6959 | None | None | None | XRAY | 3.0 | 0.221 | 0.268 | A | 280.0 | 250.0 | 12 | 26 | 18 | 8 | [[133, 383]] | 1.0 | 2j50 | CAMK_AURKA_HUMAN | CAMK | 7.2e-80 | 273.9 | 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 | 2J50B | O14965 | 128 | 389 | 403.0 | 627:1390 | Type1 | Inactive | DFGinter | 9.2456 | 7.02 | None | -113.53, -10.86 | -64.28, 174.02 | -114.89, 30.13 | 305.81, 146.41 | -88.25, 66.85 | out-out | out | 12.5096 | Saltbr-out | 9.2936 | HRD-out | -123.96, 152.62 | -82.01, -145.78 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.4447 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -105.31, 129.37 | APE9-dihe-na | 72.63, 27.29 | APE8-dihe-out | -102.14, -34.97 | APE8-rot-in | 309.77 | APE67-dihe-in | -58.91, -17.97 | -50.79, -43.31 | APE12-dist-out | 19.5656 | APE11-dist-out | 16.6557 | APE10-dist-out | 20.8022 | APE9-dist-out | 14.6957 | None | None | None | XRAY | 3.0 | 0.221 | 0.268 | B | 280.0 | 250.0 | 12 | 26 | 18 | 8 | [[133, 383]] | 1.0 | 2j50 | CAMK_AURKA_HUMAN | CAMK | 7.2e-80 | 273.9 | 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 | 2J50A | O14965 | 128 | 389 | 403.0 | 627:1390 | Type1 | Inactive | DFGinter | 9.2461 | 7.0202 | None | -113.57, -10.87 | -64.28, 174.0 | -114.87, 30.19 | 305.8, 146.38 | -88.31, 66.84 | out-out | out | 12.5095 | Saltbr-out | 9.2938 | HRD-out | -123.95, 152.65 | -81.99, -145.81 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.4444 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -105.31, 129.43 | APE9-dihe-na | 72.62, 27.27 | APE8-dihe-out | -102.11, -34.98 | APE8-rot-in | 309.79 | APE67-dihe-in | -58.95, -17.94 | -50.8, -43.26 | APE12-dist-out | 19.5659 | APE11-dist-out | 16.6559 | APE10-dist-out | 20.8024 | APE9-dist-out | 14.6959 | None | None | None | XRAY | 3.0 | 0.221 | 0.268 | A | 280.0 | 250.0 | 12 | 26 | 18 | 8 | [[133, 383]] | 1.0 | 2j50 | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 7.2e-80 | 273.9 | 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 | 2J50B | O14965 | 128 | 389 | 403.0 | 627:1390 | Type1 | Inactive | DFGinter | 9.2456 | 7.02 | None | -113.53, -10.86 | -64.28, 174.02 | -114.89, 30.13 | 305.81, 146.41 | -88.25, 66.85 | out-out | out | 12.5096 | Saltbr-out | 9.2936 | HRD-out | -123.96, 152.62 | -82.01, -145.78 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.4447 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -105.31, 129.37 | APE9-dihe-na | 72.63, 27.29 | APE8-dihe-out | -102.14, -34.97 | APE8-rot-in | 309.77 | APE67-dihe-in | -58.91, -17.97 | -50.79, -43.31 | APE12-dist-out | 19.5656 | APE11-dist-out | 16.6557 | APE10-dist-out | 20.8022 | APE9-dist-out | 14.6957 | None | None | None | XRAY | 3.0 | 0.221 | 0.268 | B | 280.0 | 250.0 | 12 | 26 | 18 | 8 | [[133, 383]] | 1.0 | 2j50 | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 7.2e-80 | 273.9 | 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 |
|---|