| 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 | 4J8NA | O14965 | 125 | 390 | 403.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9253 | 16.1592 | BLAminus | -129.5, -176.93 | 54.9, 81.06 | -100.42, 18.24 | 277.9, 77.09 | -55.57, -42.6 | in-in | in | 9.6503 | Saltbr-in | 3.0411 | HRD-in | -71.66, -48.7 | 72.48, -23.07 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0709 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iioo | APE10-dihe-na | -108.65, -134.85 | APE9-dihe-na | 51.07, -90.35 | APE8-dihe-out | 166.34, 127.33 | APE8-rot-out | 177.69 | APE67-dihe-out | -103.98, -33.6 | -75.82, 64.16 | APE12-dist-in | 11.4112 | APE11-dist-in | 11.2704 | APE10-dist-out | 11.1537 | APE9-dist-out | 10.413 | None | None | None | XRAY | 3.135 | 0.188 | 0.234 | A | 279.0 | 266.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | 4j8n | CAMK_AURKA_HUMAN | CAMK | 8.7e-80 | 273.7 | 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 | 4J8NB | O14965 | 125 | 390 | 403.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9082 | 16.2093 | BLAminus | -129.59, -174.78 | 53.22, 81.35 | -99.27, 18.15 | 277.26, 76.69 | -54.47, -45.17 | in-in | in | 9.7192 | Saltbr-in | 3.006 | HRD-in | -72.1, -48.2 | 71.96, -19.42 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1111 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iioo | APE10-dihe-na | -94.27, -131.7 | APE9-dihe-na | 72.09, -72.86 | APE8-dihe-out | 115.97, 127.78 | APE8-rot-out | 202.98 | APE67-dihe-in | -54.47, -40.45 | -100.94, 29.6 | APE12-dist-in | 11.4087 | APE11-dist-in | 11.0348 | APE10-dist-out | 10.938 | APE9-dist-out | 9.9423 | None | None | None | XRAY | 3.135 | 0.188 | 0.234 | B | 279.0 | 266.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | 4j8n | CAMK_AURKA_HUMAN | CAMK | 8.7e-80 | 273.7 | 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 | 4J8NC | O14965 | 125 | 390 | 403.0 | No_ligand | No_ligand | Inactive | DFGin | 5.93 | 16.2969 | BLAminus | -130.96, -172.88 | 51.49, 76.65 | -93.62, 21.08 | 277.44, 74.97 | -50.35, -43.64 | in-in | in | 9.7588 | Saltbr-in | 3.1568 | HRD-in | -75.43, -46.61 | 71.17, -20.57 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1709 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | -100.15, -18.01 | APE9-dihe-na | -95.51, 167.33 | APE8-dihe-in | -58.1, 137.58 | APE8-rot-out | 194.0 | APE67-dihe-in | -58.5, -42.08 | -97.99, 30.31 | APE12-dist-in | 11.516 | APE11-dist-in | 11.236 | APE10-dist-out | 11.0009 | APE9-dist-out | 9.9942 | None | None | None | XRAY | 3.135 | 0.188 | 0.234 | C | 279.0 | 266.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | 4j8n | CAMK_AURKA_HUMAN | CAMK | 8.7e-80 | 273.7 | 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 | 4J8ND | O14965 | 126 | 390 | 403.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9704 | 16.2752 | BLAminus | -130.78, -174.78 | 51.83, 76.2 | -93.32, 22.06 | 277.06, 75.74 | -52.13, -43.63 | in-in | in | 9.6704 | Saltbr-in | 3.1674 | HRD-in | -75.14, -47.48 | 71.69, -20.75 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0974 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | -97.15, -26.99 | APE9-dihe-na | -90.54, 167.49 | APE8-dihe-in | -56.97, 140.7 | APE8-rot-out | 192.37 | APE67-dihe-in | -54.7, -36.7 | -101.24, 28.7 | APE12-dist-in | 11.4427 | APE11-dist-in | 11.1882 | APE10-dist-out | 11.1015 | APE9-dist-out | 10.1571 | None | None | None | XRAY | 3.135 | 0.188 | 0.234 | D | 279.0 | 265.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | 4j8n | CAMK_AURKA_HUMAN | CAMK | 8.7e-80 | 273.7 | 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 | 4J8NA | O14965 | 125 | 390 | 403.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9253 | 16.1592 | BLAminus | -129.5, -176.93 | 54.9, 81.06 | -100.42, 18.24 | 277.9, 77.09 | -55.57, -42.6 | in-in | in | 9.6503 | Saltbr-in | 3.0411 | HRD-in | -71.66, -48.7 | 72.48, -23.07 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0709 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iioo | APE10-dihe-na | -108.65, -134.85 | APE9-dihe-na | 51.07, -90.35 | APE8-dihe-out | 166.34, 127.33 | APE8-rot-out | 177.69 | APE67-dihe-out | -103.98, -33.6 | -75.82, 64.16 | APE12-dist-in | 11.4112 | APE11-dist-in | 11.2704 | APE10-dist-out | 11.1537 | APE9-dist-out | 10.413 | None | None | None | XRAY | 3.135 | 0.188 | 0.234 | A | 279.0 | 266.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | 4j8n | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 8.7e-80 | 273.7 | 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 | 4J8NB | O14965 | 125 | 390 | 403.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9082 | 16.2093 | BLAminus | -129.59, -174.78 | 53.22, 81.35 | -99.27, 18.15 | 277.26, 76.69 | -54.47, -45.17 | in-in | in | 9.7192 | Saltbr-in | 3.006 | HRD-in | -72.1, -48.2 | 71.96, -19.42 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1111 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iioo | APE10-dihe-na | -94.27, -131.7 | APE9-dihe-na | 72.09, -72.86 | APE8-dihe-out | 115.97, 127.78 | APE8-rot-out | 202.98 | APE67-dihe-in | -54.47, -40.45 | -100.94, 29.6 | APE12-dist-in | 11.4087 | APE11-dist-in | 11.0348 | APE10-dist-out | 10.938 | APE9-dist-out | 9.9423 | None | None | None | XRAY | 3.135 | 0.188 | 0.234 | B | 279.0 | 266.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | 4j8n | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 8.7e-80 | 273.7 | 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 | 4J8NC | O14965 | 125 | 390 | 403.0 | No_ligand | No_ligand | Inactive | DFGin | 5.93 | 16.2969 | BLAminus | -130.96, -172.88 | 51.49, 76.65 | -93.62, 21.08 | 277.44, 74.97 | -50.35, -43.64 | in-in | in | 9.7588 | Saltbr-in | 3.1568 | HRD-in | -75.43, -46.61 | 71.17, -20.57 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1709 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | -100.15, -18.01 | APE9-dihe-na | -95.51, 167.33 | APE8-dihe-in | -58.1, 137.58 | APE8-rot-out | 194.0 | APE67-dihe-in | -58.5, -42.08 | -97.99, 30.31 | APE12-dist-in | 11.516 | APE11-dist-in | 11.236 | APE10-dist-out | 11.0009 | APE9-dist-out | 9.9942 | None | None | None | XRAY | 3.135 | 0.188 | 0.234 | C | 279.0 | 266.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | 4j8n | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 8.7e-80 | 273.7 | 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 | 4J8ND | O14965 | 126 | 390 | 403.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9704 | 16.2752 | BLAminus | -130.78, -174.78 | 51.83, 76.2 | -93.32, 22.06 | 277.06, 75.74 | -52.13, -43.63 | in-in | in | 9.6704 | Saltbr-in | 3.1674 | HRD-in | -75.14, -47.48 | 71.69, -20.75 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0974 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | -97.15, -26.99 | APE9-dihe-na | -90.54, 167.49 | APE8-dihe-in | -56.97, 140.7 | APE8-rot-out | 192.37 | APE67-dihe-in | -54.7, -36.7 | -101.24, 28.7 | APE12-dist-in | 11.4427 | APE11-dist-in | 11.1882 | APE10-dist-out | 11.1015 | APE9-dist-out | 10.1571 | None | None | None | XRAY | 3.135 | 0.188 | 0.234 | D | 279.0 | 265.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | 4j8n | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 8.7e-80 | 273.7 | 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 |
|---|