| 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 | ROCK1 | ROCK1_HUMAN | AF-Q13464-K1A | Q13464 | 68 | 346 | 1354.0 | No_ligand | No_ligand | Active | DFGin | 6.0059 | 13.0664 | BLAminus | -137.66, -178.75 | 47.45, 69.34 | -81.8, 16.56 | 305.27, 105.28 | -65.56, -12.08 | in-in | in | 8.5519 | Saltbr-in | 2.6238 | HRD-in | -74.85, -46.42 | 64.04, 4.32 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.933 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.58, 160.73 | APE9-dihe-na | 98.63, 175.06 | APE8-dihe-in | -68.34, 133.89 | APE8-rot-in | 288.19 | APE67-dihe-in | -75.11, -22.05 | -52.44, -39.16 | APE12-dist-in | 10.1589 | APE11-dist-in | 11.2599 | APE10-dist-in | 5.3929 | APE9-dist-in | 3.7256 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 279.0 | 279.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | AF-Q13464-K1 | AGC_ROCK1_HUMAN | AGC | 9.2e-95 | 322.5 | 1.0 | 260.0 | 260.0 | 215 | 216 | 217 | 219 | 221 | 105 | 124 | 128 | 195 | 197 | 196 | 198.0 | 260 | 244 | 239 | 238 | 237 | 236 | 235 | 234 | 233 | 154 | Rho-associated protein kinase 1 |
| AGC | ROCK1 | ROCK1_HUMAN | AF-Q13464-K3A | Q13464 | 68 | 346 | 1354.0 | No_ligand | No_ligand | Active | DFGin | 5.8505 | 13.2708 | BLAminus | -137.07, 179.96 | 52.49, 70.51 | -80.48, 13.64 | 307.69, 107.27 | -65.8, -8.31 | in-in | in | 8.8334 | Saltbr-in | 2.6833 | HRD-in | -84.07, -47.73 | 66.69, 2.67 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9689 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.35, 143.29 | APE9-dihe-na | 121.73, 178.17 | APE8-dihe-in | -80.88, 131.47 | APE8-rot-in | 300.07 | APE67-dihe-in | -72.64, -15.78 | -48.59, -46.75 | APE12-dist-in | 10.8022 | APE11-dist-in | 11.6421 | APE10-dist-in | 5.8713 | APE9-dist-in | 3.2563 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 279.0 | 279.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | AF-Q13464-K3 | AGC_ROCK1_HUMAN | AGC | 9.2e-95 | 322.5 | 1.0 | 260.0 | 260.0 | 215 | 216 | 217 | 219 | 221 | 105 | 124 | 128 | 195 | 197 | 196 | 198.0 | 260 | 244 | 239 | 238 | 237 | 236 | 235 | 234 | 233 | 154 | Rho-associated protein kinase 1 |
| 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 | ROCK1 | ROCK1_HUMAN | AF-Q13464-K1A | Q13464 | 68 | 346 | 1354.0 | No_ligand | No_ligand | Active | DFGin | 6.0059 | 13.0664 | BLAminus | -137.66, -178.75 | 47.45, 69.34 | -81.8, 16.56 | 305.27, 105.28 | -65.56, -12.08 | in-in | in | 8.5519 | Saltbr-in | 2.6238 | HRD-in | -74.85, -46.42 | 64.04, 4.32 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.933 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.58, 160.73 | APE9-dihe-na | 98.63, 175.06 | APE8-dihe-in | -68.34, 133.89 | APE8-rot-in | 288.19 | APE67-dihe-in | -75.11, -22.05 | -52.44, -39.16 | APE12-dist-in | 10.1589 | APE11-dist-in | 11.2599 | APE10-dist-in | 5.3929 | APE9-dist-in | 3.7256 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 279.0 | 279.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | AF-Q13464-K1 | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 9.2e-95 | 322.5 | 1.0 | 260.0 | 260.0 | 215 | 216 | 217 | 219 | 221 | 105 | 124 | 128 | 195 | 197 | 196 | 198.0 | 260 | 244 | 239 | 238 | 237 | 236 | 235 | 234 | 233 | 154 | Rho-associated protein kinase 1 |
| AGC | ROCK1 | ROCK1_HUMAN | AF-Q13464-K3A | Q13464 | 68 | 346 | 1354.0 | No_ligand | No_ligand | Active | DFGin | 5.8505 | 13.2708 | BLAminus | -137.07, 179.96 | 52.49, 70.51 | -80.48, 13.64 | 307.69, 107.27 | -65.8, -8.31 | in-in | in | 8.8334 | Saltbr-in | 2.6833 | HRD-in | -84.07, -47.73 | 66.69, 2.67 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9689 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.35, 143.29 | APE9-dihe-na | 121.73, 178.17 | APE8-dihe-in | -80.88, 131.47 | APE8-rot-in | 300.07 | APE67-dihe-in | -72.64, -15.78 | -48.59, -46.75 | APE12-dist-in | 10.8022 | APE11-dist-in | 11.6421 | APE10-dist-in | 5.8713 | APE9-dist-in | 3.2563 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 279.0 | 279.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | AF-Q13464-K3 | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 9.2e-95 | 322.5 | 1.0 | 260.0 | 260.0 | 215 | 216 | 217 | 219 | 221 | 105 | 124 | 128 | 195 | 197 | 196 | 198.0 | 260 | 244 | 239 | 238 | 237 | 236 | 235 | 234 | 233 | 154 | Rho-associated protein kinase 1 |
| 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 |
|---|