| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AGC | CDC42BPA | MRCKA_HUMAN | AF-Q5VT25-K1A | Q5VT25 | 69 | 351 | 1732.0 | No_ligand | No_ligand | Active | DFGin | 6.6274 | 14.0846 | BLAminus | -137.35, 178.83 | 52.57, 60.69 | -74.75, 17.34 | 293.19, 92.14 | -61.72, -19.0 | in-in | in | 8.9342 | Saltbr-in | 2.6878 | HRD-in | -76.44, -46.24 | 68.08, 6.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8391 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -119.21, 130.01 | APE9-dihe-na | 139.4, 177.82 | APE8-dihe-in | -74.18, 124.45 | APE8-rot-in | 302.09 | APE67-dihe-in | -66.75, -21.22 | -50.16, -45.25 | APE12-dist-in | 10.2385 | APE11-dist-in | 11.0323 | APE10-dist-in | 5.3253 | APE9-dist-in | 3.9184 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 29 | 29 | 0 | [[77, 343]] | 1.0 | AF-Q5VT25-K1 | AGC_CDC42BPA_HUMAN | AGC | 1e-96 | 328.9 | 1.0 | 260.0 | 260.0 | 218 | 219 | 220 | 222 | 224 | 106 | 125 | 129 | 198 | 200 | 199 | 201.0 | 264 | 247 | 242 | 241 | 240 | 239 | 238 | 237 | 236 | 155 | Serine/threonine-protein kinase MRCK alpha |
| AGC | CDC42BPA | MRCKA_HUMAN | AF-Q5VT25-K3A | Q5VT25 | 69 | 351 | 1732.0 | No_ligand | No_ligand | Active | DFGin | 6.0894 | 13.5542 | BLAminus | -140.55, 172.62 | 55.82, 69.24 | -78.39, 15.33 | 299.05, 91.36 | -61.53, -17.02 | in-in | in | 8.5549 | Saltbr-in | 2.6349 | HRD-in | -79.96, -45.49 | 66.46, 0.29 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8923 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.67, 146.01 | APE9-dihe-na | 127.4, 168.74 | APE8-dihe-in | -72.01, 132.81 | APE8-rot-in | 288.27 | APE67-dihe-in | -76.54, -19.12 | -51.84, -40.74 | APE12-dist-in | 9.879 | APE11-dist-in | 11.2521 | APE10-dist-in | 5.4247 | APE9-dist-in | 3.5438 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 29 | 29 | 0 | [[77, 343]] | 1.0 | AF-Q5VT25-K3 | AGC_CDC42BPA_HUMAN | AGC | 1e-96 | 328.9 | 1.0 | 260.0 | 260.0 | 218 | 219 | 220 | 222 | 224 | 106 | 125 | 129 | 198 | 200 | 199 | 201.0 | 264 | 247 | 242 | 241 | 240 | 239 | 238 | 237 | 236 | 155 | Serine/threonine-protein kinase MRCK alpha |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AGC | CDC42BPA | MRCKA_HUMAN | AF-Q5VT25-K1A | Q5VT25 | 69 | 351 | 1732.0 | No_ligand | No_ligand | Active | DFGin | 6.6274 | 14.0846 | BLAminus | -137.35, 178.83 | 52.57, 60.69 | -74.75, 17.34 | 293.19, 92.14 | -61.72, -19.0 | in-in | in | 8.9342 | Saltbr-in | 2.6878 | HRD-in | -76.44, -46.24 | 68.08, 6.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8391 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -119.21, 130.01 | APE9-dihe-na | 139.4, 177.82 | APE8-dihe-in | -74.18, 124.45 | APE8-rot-in | 302.09 | APE67-dihe-in | -66.75, -21.22 | -50.16, -45.25 | APE12-dist-in | 10.2385 | APE11-dist-in | 11.0323 | APE10-dist-in | 5.3253 | APE9-dist-in | 3.9184 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 29 | 29 | 0 | [[77, 343]] | 1.0 | AF-Q5VT25-K1 | Homo sapiens | AGC_CDC42BPA_HUMAN | AGC | 1e-96 | 328.9 | 1.0 | 260.0 | 260.0 | 218 | 219 | 220 | 222 | 224 | 106 | 125 | 129 | 198 | 200 | 199 | 201.0 | 264 | 247 | 242 | 241 | 240 | 239 | 238 | 237 | 236 | 155 | Serine/threonine-protein kinase MRCK alpha |
| AGC | CDC42BPA | MRCKA_HUMAN | AF-Q5VT25-K3A | Q5VT25 | 69 | 351 | 1732.0 | No_ligand | No_ligand | Active | DFGin | 6.0894 | 13.5542 | BLAminus | -140.55, 172.62 | 55.82, 69.24 | -78.39, 15.33 | 299.05, 91.36 | -61.53, -17.02 | in-in | in | 8.5549 | Saltbr-in | 2.6349 | HRD-in | -79.96, -45.49 | 66.46, 0.29 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8923 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.67, 146.01 | APE9-dihe-na | 127.4, 168.74 | APE8-dihe-in | -72.01, 132.81 | APE8-rot-in | 288.27 | APE67-dihe-in | -76.54, -19.12 | -51.84, -40.74 | APE12-dist-in | 9.879 | APE11-dist-in | 11.2521 | APE10-dist-in | 5.4247 | APE9-dist-in | 3.5438 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 29 | 29 | 0 | [[77, 343]] | 1.0 | AF-Q5VT25-K3 | Homo sapiens | AGC_CDC42BPA_HUMAN | AGC | 1e-96 | 328.9 | 1.0 | 260.0 | 260.0 | 218 | 219 | 220 | 222 | 224 | 106 | 125 | 129 | 198 | 200 | 199 | 201.0 | 264 | 247 | 242 | 241 | 240 | 239 | 238 | 237 | 236 | 155 | Serine/threonine-protein kinase MRCK alpha |
| 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 |
|---|