| 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 | 4YVEA | Q13464 | 6 | 405 | 1354.0 | 4KK:60501 | Type1 | Active | DFGin | 5.6208 | 12.8068 | BLAminus | -135.63, 174.2 | 57.57, 62.47 | -84.06, 54.44 | 321.53, 81.4 | -64.54, -38.78 | in-in | in | 8.3923 | Saltbr-in | 2.8393 | HRD-in | -66.81, -33.75 | 61.05, -11.49 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8908 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -136.37, 139.44 | APE9-dihe-na | 133.32, -156.65 | APE8-dihe-in | -109.47, 141.28 | APE8-rot-in | 300.76 | APE67-dihe-in | -87.71, -40.47 | -52.3, -33.35 | APE12-dist-in | 11.916 | APE11-dist-in | 11.5401 | APE10-dist-in | 6.0064 | APE9-dist-in | 3.8404 | None | None | None | XRAY | 3.4 | 0.219 | 0.244 | A | 415.0 | 390.0 | 4 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4yve | 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 | 4YVEB | Q13464 | 6 | 402 | 1354.0 | 4KK:60501 | Type1 | Inactive | DFGin | 5.9485 | 13.0345 | BLAminus | -142.15, 177.6 | 55.83, 66.0 | -91.48, 48.79 | 310.94, 106.94 | -71.74, -55.62 | in-in | in | 8.4015 | Saltbr-in | 2.7056 | HRD-in | -79.37, -42.41 | 80.29, -49.62 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.013 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iiio | APE10-dihe-na | -118.45, 127.42 | APE9-dihe-na | -99.77, 159.7 | APE8-dihe-out | 61.11, 72.27 | APE8-rot-in | 329.33 | APE67-dihe-in | -42.85, -44.14 | -72.95, -1.39 | APE12-dist-in | 8.1935 | APE11-dist-in | 11.937 | APE10-dist-in | 7.8012 | APE9-dist-out | 10.5375 | None | None | None | XRAY | 3.4 | 0.219 | 0.244 | B | 415.0 | 392.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4yve | 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 | 4YVEA | Q13464 | 6 | 405 | 1354.0 | 4KK:60501 | Type1 | Active | DFGin | 5.6208 | 12.8068 | BLAminus | -135.63, 174.2 | 57.57, 62.47 | -84.06, 54.44 | 321.53, 81.4 | -64.54, -38.78 | in-in | in | 8.3923 | Saltbr-in | 2.8393 | HRD-in | -66.81, -33.75 | 61.05, -11.49 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8908 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -136.37, 139.44 | APE9-dihe-na | 133.32, -156.65 | APE8-dihe-in | -109.47, 141.28 | APE8-rot-in | 300.76 | APE67-dihe-in | -87.71, -40.47 | -52.3, -33.35 | APE12-dist-in | 11.916 | APE11-dist-in | 11.5401 | APE10-dist-in | 6.0064 | APE9-dist-in | 3.8404 | None | None | None | XRAY | 3.4 | 0.219 | 0.244 | A | 415.0 | 390.0 | 4 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4yve | 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 | 4YVEB | Q13464 | 6 | 402 | 1354.0 | 4KK:60501 | Type1 | Inactive | DFGin | 5.9485 | 13.0345 | BLAminus | -142.15, 177.6 | 55.83, 66.0 | -91.48, 48.79 | 310.94, 106.94 | -71.74, -55.62 | in-in | in | 8.4015 | Saltbr-in | 2.7056 | HRD-in | -79.37, -42.41 | 80.29, -49.62 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.013 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iiio | APE10-dihe-na | -118.45, 127.42 | APE9-dihe-na | -99.77, 159.7 | APE8-dihe-out | 61.11, 72.27 | APE8-rot-in | 329.33 | APE67-dihe-in | -42.85, -44.14 | -72.95, -1.39 | APE12-dist-in | 8.1935 | APE11-dist-in | 11.937 | APE10-dist-in | 7.8012 | APE9-dist-out | 10.5375 | None | None | None | XRAY | 3.4 | 0.219 | 0.244 | B | 415.0 | 392.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4yve | 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 |
|---|