| 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 | 4YVCA | Q13464 | 6 | 405 | 1354.0 | 4KH:60501 | Type1 | Active | DFGin | 5.8704 | 13.1138 | BLAminus | -131.73, 179.43 | 49.79, 78.91 | -95.58, 35.98 | 309.76, 96.36 | -52.74, -39.15 | in-in | in | 8.4249 | Saltbr-in | 3.0266 | HRD-in | -62.91, -47.72 | 78.09, -4.27 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0631 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.16, 137.86 | APE9-dihe-na | 126.1, -158.78 | APE8-dihe-in | -106.17, 145.81 | APE8-rot-in | 290.0 | APE67-dihe-in | -72.07, -14.66 | -55.89, -48.56 | APE12-dist-in | 11.644 | APE11-dist-in | 11.4144 | APE10-dist-in | 5.9155 | APE9-dist-in | 3.809 | None | None | None | XRAY | 3.2 | 0.193 | 0.221 | A | 415.0 | 388.0 | 5 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4yvc | 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 | 4YVCB | Q13464 | 6 | 402 | 1354.0 | 4KH:60501 | Type1 | Inactive | DFGin | 5.9866 | 13.03 | BLAminus | -134.48, 170.05 | 59.86, 81.37 | -101.66, 32.67 | 304.4, 103.91 | -59.54, -31.24 | in-in | in | 8.0767 | Saltbr-in | 2.8763 | HRD-in | -67.8, -48.64 | 81.06, -11.79 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0338 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -102.76, 137.3 | APE9-dihe-na | -116.91, 99.15 | APE8-dihe-out | 69.44, 93.76 | APE8-rot-in | 303.49 | APE67-dihe-in | -38.38, -37.91 | -75.8, -10.12 | APE12-dist-in | 8.3297 | APE11-dist-in | 11.8443 | APE10-dist-out | 10.6438 | APE9-dist-out | 9.5203 | None | None | None | XRAY | 3.2 | 0.193 | 0.221 | B | 415.0 | 391.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4yvc | 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 | 4YVCA | Q13464 | 6 | 405 | 1354.0 | 4KH:60501 | Type1 | Active | DFGin | 5.8704 | 13.1138 | BLAminus | -131.73, 179.43 | 49.79, 78.91 | -95.58, 35.98 | 309.76, 96.36 | -52.74, -39.15 | in-in | in | 8.4249 | Saltbr-in | 3.0266 | HRD-in | -62.91, -47.72 | 78.09, -4.27 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0631 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.16, 137.86 | APE9-dihe-na | 126.1, -158.78 | APE8-dihe-in | -106.17, 145.81 | APE8-rot-in | 290.0 | APE67-dihe-in | -72.07, -14.66 | -55.89, -48.56 | APE12-dist-in | 11.644 | APE11-dist-in | 11.4144 | APE10-dist-in | 5.9155 | APE9-dist-in | 3.809 | None | None | None | XRAY | 3.2 | 0.193 | 0.221 | A | 415.0 | 388.0 | 5 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4yvc | 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 | 4YVCB | Q13464 | 6 | 402 | 1354.0 | 4KH:60501 | Type1 | Inactive | DFGin | 5.9866 | 13.03 | BLAminus | -134.48, 170.05 | 59.86, 81.37 | -101.66, 32.67 | 304.4, 103.91 | -59.54, -31.24 | in-in | in | 8.0767 | Saltbr-in | 2.8763 | HRD-in | -67.8, -48.64 | 81.06, -11.79 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0338 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -102.76, 137.3 | APE9-dihe-na | -116.91, 99.15 | APE8-dihe-out | 69.44, 93.76 | APE8-rot-in | 303.49 | APE67-dihe-in | -38.38, -37.91 | -75.8, -10.12 | APE12-dist-in | 8.3297 | APE11-dist-in | 11.8443 | APE10-dist-out | 10.6438 | APE9-dist-out | 9.5203 | None | None | None | XRAY | 3.2 | 0.193 | 0.221 | B | 415.0 | 391.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4yvc | 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 |
|---|