| 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 | CDC42BPB | MRCKB_HUMAN | AF-Q9Y5S2-K1A | Q9Y5S2 | 68 | 350 | 1711.0 | No_ligand | No_ligand | Active | DFGin | 6.2859 | 13.4182 | BLAminus | -138.11, 175.86 | 52.03, 73.16 | -82.88, 16.9 | 300.82, 95.68 | -61.27, -18.14 | in-in | in | 8.6703 | Saltbr-in | 2.6193 | HRD-in | -80.82, -44.33 | 65.35, 6.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8855 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.32, 151.0 | APE9-dihe-na | 118.31, 170.33 | APE8-dihe-in | -66.77, 129.62 | APE8-rot-in | 287.64 | APE67-dihe-in | -77.39, -20.44 | -51.73, -36.54 | APE12-dist-in | 9.8427 | APE11-dist-in | 10.9419 | APE10-dist-in | 5.1876 | APE9-dist-in | 3.7878 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | AF-Q9Y5S2-K1 | AGC_CDC42BPB_HUMAN | AGC | 1.7e-96 | 328.2 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| AGC | CDC42BPB | MRCKB_HUMAN | AF-Q9Y5S2-K3A | Q9Y5S2 | 68 | 350 | 1711.0 | No_ligand | No_ligand | Active | DFGin | 6.1652 | 13.2521 | BLAminus | -140.87, 174.27 | 54.93, 67.41 | -77.14, 15.47 | 302.2, 109.63 | -60.94, -17.3 | in-in | in | 8.5935 | Saltbr-in | 2.6809 | HRD-in | -80.0, -45.38 | 64.95, 8.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8727 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.11, 160.14 | APE9-dihe-na | 106.26, -177.58 | APE8-dihe-in | -89.7, 125.56 | APE8-rot-in | 303.52 | APE67-dihe-in | -69.05, -20.8 | -47.75, -44.36 | APE12-dist-in | 9.5295 | APE11-dist-in | 10.952 | APE10-dist-in | 5.1507 | APE9-dist-in | 3.6267 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | AF-Q9Y5S2-K3 | AGC_CDC42BPB_HUMAN | AGC | 1.7e-96 | 328.2 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| 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 | CDC42BPB | MRCKB_HUMAN | AF-Q9Y5S2-K1A | Q9Y5S2 | 68 | 350 | 1711.0 | No_ligand | No_ligand | Active | DFGin | 6.2859 | 13.4182 | BLAminus | -138.11, 175.86 | 52.03, 73.16 | -82.88, 16.9 | 300.82, 95.68 | -61.27, -18.14 | in-in | in | 8.6703 | Saltbr-in | 2.6193 | HRD-in | -80.82, -44.33 | 65.35, 6.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8855 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.32, 151.0 | APE9-dihe-na | 118.31, 170.33 | APE8-dihe-in | -66.77, 129.62 | APE8-rot-in | 287.64 | APE67-dihe-in | -77.39, -20.44 | -51.73, -36.54 | APE12-dist-in | 9.8427 | APE11-dist-in | 10.9419 | APE10-dist-in | 5.1876 | APE9-dist-in | 3.7878 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | AF-Q9Y5S2-K1 | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 1.7e-96 | 328.2 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| AGC | CDC42BPB | MRCKB_HUMAN | AF-Q9Y5S2-K3A | Q9Y5S2 | 68 | 350 | 1711.0 | No_ligand | No_ligand | Active | DFGin | 6.1652 | 13.2521 | BLAminus | -140.87, 174.27 | 54.93, 67.41 | -77.14, 15.47 | 302.2, 109.63 | -60.94, -17.3 | in-in | in | 8.5935 | Saltbr-in | 2.6809 | HRD-in | -80.0, -45.38 | 64.95, 8.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8727 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.11, 160.14 | APE9-dihe-na | 106.26, -177.58 | APE8-dihe-in | -89.7, 125.56 | APE8-rot-in | 303.52 | APE67-dihe-in | -69.05, -20.8 | -47.75, -44.36 | APE12-dist-in | 9.5295 | APE11-dist-in | 10.952 | APE10-dist-in | 5.1507 | APE9-dist-in | 3.6267 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 29 | 29 | 0 | [[76, 342]] | 1.0 | AF-Q9Y5S2-K3 | Homo sapiens | AGC_CDC42BPB_HUMAN | AGC | 1.7e-96 | 328.2 | 1.0 | 260.0 | 260.0 | 217 | 218 | 219 | 221 | 223 | 105 | 124 | 128 | 197 | 199 | 198 | 200.0 | 263 | 246 | 241 | 240 | 239 | 238 | 237 | 236 | 235 | 154 | Serine/threonine-protein kinase MRCK beta |
| 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 |
|---|