| 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 | 6CPGA | O14965 | 127 | 387 | 403.0 | 35R:501 | Type1 | Inactive | DFGinter | 6.711 | 9.4851 | None | -140.02, 96.03 | -108.44, 103.16 | -141.15, -67.9 | 302.74, 112.44 | 175.19, -125.6 | out-out | out | 12.4294 | Saltbr-out | 10.9407 | HRD-out | 55.39, 71.59 | -104.21, 123.45 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoni | APEdist_nnoo | APE10-dihe-na | 999.0, -80.02 | APE9-dihe-na | 97.77, -146.55 | APE8-dihe-out | -62.97, -12.48 | APE8-rot-none | 999.0 | APE67-dihe-in | -58.41, -29.26 | -54.85, -41.27 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.0413 | APE9-dist-out | 13.6566 | None | None | None | XRAY | 2.8 | 0.285 | 0.335 | A | 285.0 | 249.0 | 12 | 26 | 14 | 12 | [[133, 383]] | 1.0 | 6cpg | CAMK_AURKA_HUMAN | CAMK | 7.7e-80 | 273.8 | 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 | 6CPGD | O14965 | 127 | 388 | 403.0 | 35R:501 | Type1 | Inactive | DFGinter | 6.4037 | 9.7723 | None | -125.89, 77.36 | -98.94, 84.58 | -127.68, 52.17 | 302.92, 103.94 | 97.64, -149.27 | out-out | out | 11.6201 | Saltbr-out | 12.7753 | HRD-out | 61.84, 98.64 | -116.43, 122.15 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nooo | APE10-dihe-na | -115.97, 178.85 | APE9-dihe-na | -115.52, -132.49 | APE8-dihe-out | -76.59, 1.28 | APE8-rot-out | 68.27 | APE67-dihe-in | -65.85, -12.72 | -75.15, -27.74 | APE12-dist-none | 999.0 | APE11-dist-out | 19.3876 | APE10-dist-out | 16.4598 | APE9-dist-out | 14.8298 | None | None | None | XRAY | 2.8 | 0.285 | 0.335 | D | 285.0 | 252.0 | 10 | 26 | 16 | 10 | [[133, 383]] | 1.0 | 6cpg | CAMK_AURKA_HUMAN | CAMK | 7.7e-80 | 273.8 | 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 | 6CPGA | O14965 | 127 | 387 | 403.0 | 35R:501 | Type1 | Inactive | DFGinter | 6.711 | 9.4851 | None | -140.02, 96.03 | -108.44, 103.16 | -141.15, -67.9 | 302.74, 112.44 | 175.19, -125.6 | out-out | out | 12.4294 | Saltbr-out | 10.9407 | HRD-out | 55.39, 71.59 | -104.21, 123.45 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoni | APEdist_nnoo | APE10-dihe-na | 999.0, -80.02 | APE9-dihe-na | 97.77, -146.55 | APE8-dihe-out | -62.97, -12.48 | APE8-rot-none | 999.0 | APE67-dihe-in | -58.41, -29.26 | -54.85, -41.27 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.0413 | APE9-dist-out | 13.6566 | None | None | None | XRAY | 2.8 | 0.285 | 0.335 | A | 285.0 | 249.0 | 12 | 26 | 14 | 12 | [[133, 383]] | 1.0 | 6cpg | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 7.7e-80 | 273.8 | 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 | 6CPGD | O14965 | 127 | 388 | 403.0 | 35R:501 | Type1 | Inactive | DFGinter | 6.4037 | 9.7723 | None | -125.89, 77.36 | -98.94, 84.58 | -127.68, 52.17 | 302.92, 103.94 | 97.64, -149.27 | out-out | out | 11.6201 | Saltbr-out | 12.7753 | HRD-out | 61.84, 98.64 | -116.43, 122.15 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nooo | APE10-dihe-na | -115.97, 178.85 | APE9-dihe-na | -115.52, -132.49 | APE8-dihe-out | -76.59, 1.28 | APE8-rot-out | 68.27 | APE67-dihe-in | -65.85, -12.72 | -75.15, -27.74 | APE12-dist-none | 999.0 | APE11-dist-out | 19.3876 | APE10-dist-out | 16.4598 | APE9-dist-out | 14.8298 | None | None | None | XRAY | 2.8 | 0.285 | 0.335 | D | 285.0 | 252.0 | 10 | 26 | 16 | 10 | [[133, 383]] | 1.0 | 6cpg | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 7.7e-80 | 273.8 | 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 |
|---|