| 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 | 2V55A | Q13464 | 6 | 404 | 1354.0 | ANP:1480 | ATPlike | Active | DFGin | 5.8805 | 13.604 | BLAminus | -137.29, -177.31 | 60.22, 109.9 | -132.74, 24.25 | 290.89, 71.12 | -53.92, -52.21 | in-in | in | 9.0764 | Saltbr-in | 2.7079 | HRD-in | -79.75, -71.28 | 93.49, -31.37 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.2811 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.46, 139.75 | APE9-dihe-na | 103.51, 160.5 | APE8-dihe-in | -55.22, 144.8 | APE8-rot-in | 285.63 | APE67-dihe-in | -74.86, -38.79 | -80.34, -13.24 | APE12-dist-in | 10.3243 | APE11-dist-in | 11.2781 | APE10-dist-in | 5.6467 | APE9-dist-in | 4.1313 | None | None | None | XRAY | 3.705 | 0.238 | 0.269 | A | 406.0 | 393.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 2v55 | AGC_ROCK1_HUMAN | AGC | 3.3e-94 | 320.8 | 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 | 2V55C | Q13464 | 6 | 404 | 1354.0 | ANP:1480 | ATPlike | Active | DFGin | 5.8838 | 13.6079 | BLAminus | -137.56, -177.44 | 62.15, 108.48 | -130.26, 22.71 | 291.3, 72.92 | -54.95, -50.69 | in-in | in | 9.1112 | Saltbr-in | 2.7059 | HRD-in | -78.29, -71.79 | 95.11, -31.46 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.2466 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -148.41, 139.12 | APE9-dihe-na | 103.28, 159.31 | APE8-dihe-in | -53.48, 142.5 | APE8-rot-in | 287.35 | APE67-dihe-in | -76.24, -37.92 | -78.8, -11.99 | APE12-dist-in | 10.2795 | APE11-dist-in | 11.2692 | APE10-dist-in | 5.6233 | APE9-dist-in | 4.0966 | None | None | None | XRAY | 3.705 | 0.238 | 0.269 | C | 406.0 | 396.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 2v55 | AGC_ROCK1_HUMAN | AGC | 3.3e-94 | 320.8 | 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 | 2V55A | Q13464 | 6 | 404 | 1354.0 | ANP:1480 | ATPlike | Active | DFGin | 5.8805 | 13.604 | BLAminus | -137.29, -177.31 | 60.22, 109.9 | -132.74, 24.25 | 290.89, 71.12 | -53.92, -52.21 | in-in | in | 9.0764 | Saltbr-in | 2.7079 | HRD-in | -79.75, -71.28 | 93.49, -31.37 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.2811 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.46, 139.75 | APE9-dihe-na | 103.51, 160.5 | APE8-dihe-in | -55.22, 144.8 | APE8-rot-in | 285.63 | APE67-dihe-in | -74.86, -38.79 | -80.34, -13.24 | APE12-dist-in | 10.3243 | APE11-dist-in | 11.2781 | APE10-dist-in | 5.6467 | APE9-dist-in | 4.1313 | None | None | None | XRAY | 3.705 | 0.238 | 0.269 | A | 406.0 | 393.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 2v55 | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.3e-94 | 320.8 | 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 | 2V55C | Q13464 | 6 | 404 | 1354.0 | ANP:1480 | ATPlike | Active | DFGin | 5.8838 | 13.6079 | BLAminus | -137.56, -177.44 | 62.15, 108.48 | -130.26, 22.71 | 291.3, 72.92 | -54.95, -50.69 | in-in | in | 9.1112 | Saltbr-in | 2.7059 | HRD-in | -78.29, -71.79 | 95.11, -31.46 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.2466 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -148.41, 139.12 | APE9-dihe-na | 103.28, 159.31 | APE8-dihe-in | -53.48, 142.5 | APE8-rot-in | 287.35 | APE67-dihe-in | -76.24, -37.92 | -78.8, -11.99 | APE12-dist-in | 10.2795 | APE11-dist-in | 11.2692 | APE10-dist-in | 5.6233 | APE9-dist-in | 4.0966 | None | None | None | XRAY | 3.705 | 0.238 | 0.269 | C | 406.0 | 396.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 2v55 | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.3e-94 | 320.8 | 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 |
|---|