| 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 | 3D9VA | Q13464 | 6 | 405 | 1354.0 | H52:60416 | Type1 | Active | DFGin | 6.2015 | 14.2593 | BLAminus | -97.17, 154.71 | 64.91, 125.89 | -137.95, 39.08 | 298.06, 99.68 | -71.65, -6.65 | in-in | in | 9.1774 | Saltbr-in | 3.1542 | HRD-in | -71.72, -45.61 | 70.74, -5.17 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.2016 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.18, 131.07 | APE9-dihe-na | 140.68, -156.12 | APE8-dihe-in | -114.86, 135.68 | APE8-rot-in | 311.45 | APE67-dihe-in | -80.47, -37.33 | -48.71, -38.59 | APE12-dist-in | 11.7457 | APE11-dist-in | 11.7759 | APE10-dist-in | 6.137 | APE9-dist-in | 3.7555 | None | None | None | XRAY | 3.3 | 0.262 | 0.28 | A | 415.0 | 400.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3d9v | AGC_ROCK1_HUMAN | AGC | 3.5e-94 | 320.7 | 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 | 3D9VB | Q13464 | 6 | 402 | 1354.0 | H52:60416 | Type1 | Inactive | DFGin | 6.2327 | 14.2848 | BLAminus | -106.4, 155.82 | 65.21, 114.96 | -130.45, 38.78 | 300.73, 91.97 | -71.81, 5.36 | in-in | in | 9.2841 | Saltbr-in | 3.3613 | HRD-in | -72.68, -45.11 | 70.15, -5.49 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.348 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iioo | APE10-dihe-na | -129.14, 113.22 | APE9-dihe-na | -106.7, 121.13 | APE8-dihe-out | 49.67, 80.41 | APE8-rot-out | 65.01 | APE67-dihe-in | -69.09, -34.75 | -74.38, 9.95 | APE12-dist-in | 8.6261 | APE11-dist-in | 11.9902 | APE10-dist-out | 12.6467 | APE9-dist-out | 8.6016 | None | None | None | XRAY | 3.3 | 0.262 | 0.28 | B | 415.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3d9v | AGC_ROCK1_HUMAN | AGC | 3.5e-94 | 320.7 | 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 | 3D9VA | Q13464 | 6 | 405 | 1354.0 | H52:60416 | Type1 | Active | DFGin | 6.2015 | 14.2593 | BLAminus | -97.17, 154.71 | 64.91, 125.89 | -137.95, 39.08 | 298.06, 99.68 | -71.65, -6.65 | in-in | in | 9.1774 | Saltbr-in | 3.1542 | HRD-in | -71.72, -45.61 | 70.74, -5.17 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.2016 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.18, 131.07 | APE9-dihe-na | 140.68, -156.12 | APE8-dihe-in | -114.86, 135.68 | APE8-rot-in | 311.45 | APE67-dihe-in | -80.47, -37.33 | -48.71, -38.59 | APE12-dist-in | 11.7457 | APE11-dist-in | 11.7759 | APE10-dist-in | 6.137 | APE9-dist-in | 3.7555 | None | None | None | XRAY | 3.3 | 0.262 | 0.28 | A | 415.0 | 400.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3d9v | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.5e-94 | 320.7 | 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 | 3D9VB | Q13464 | 6 | 402 | 1354.0 | H52:60416 | Type1 | Inactive | DFGin | 6.2327 | 14.2848 | BLAminus | -106.4, 155.82 | 65.21, 114.96 | -130.45, 38.78 | 300.73, 91.97 | -71.81, 5.36 | in-in | in | 9.2841 | Saltbr-in | 3.3613 | HRD-in | -72.68, -45.11 | 70.15, -5.49 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.348 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iioo | APE10-dihe-na | -129.14, 113.22 | APE9-dihe-na | -106.7, 121.13 | APE8-dihe-out | 49.67, 80.41 | APE8-rot-out | 65.01 | APE67-dihe-in | -69.09, -34.75 | -74.38, 9.95 | APE12-dist-in | 8.6261 | APE11-dist-in | 11.9902 | APE10-dist-out | 12.6467 | APE9-dist-out | 8.6016 | None | None | None | XRAY | 3.3 | 0.262 | 0.28 | B | 415.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3d9v | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.5e-94 | 320.7 | 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 |
|---|