| 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 | 6E9WA | Q13464 | 9 | 404 | 1354.0 | J0P:501 | Type1 | Inactive | DFGin | 5.9399 | 12.9073 | ABAminus | -138.73, -20.79 | -111.43, 114.1 | -109.17, 19.11 | 307.72, 100.2 | -59.06, -19.52 | in-in | in | 8.7399 | Saltbr-in | 2.8039 | HRD-in | -69.49, -44.89 | 71.41, -17.92 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0534 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.98, 148.51 | APE9-dihe-na | 125.0, -143.28 | APE8-dihe-in | -119.0, 136.17 | APE8-rot-in | 293.48 | APE67-dihe-in | -80.63, -46.93 | -50.48, -33.35 | APE12-dist-in | 11.4614 | APE11-dist-in | 11.3244 | APE10-dist-in | 5.6173 | APE9-dist-in | 4.16 | None | None | None | XRAY | 2.96 | 0.197 | 0.255 | A | 443.0 | 383.0 | 5 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 6e9w | AGC_ROCK1_HUMAN | AGC | 4.2e-94 | 320.5 | 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 | 6E9WB | Q13464 | 7 | 401 | 1354.0 | J0P:501 | Type1 | Inactive | DFGin | 6.1308 | 13.2322 | ABAminus | -138.25, -17.0 | -112.71, 103.23 | -100.64, 12.5 | 302.93, 104.22 | -62.68, -19.69 | in-in | in | 8.5718 | Saltbr-in | 2.8586 | HRD-in | -74.05, -53.13 | 88.59, -33.91 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0303 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioo | APE10-dihe-na | -80.59, -50.75 | APE9-dihe-na | 100.48, -142.0 | APE8-dihe-in | -66.64, 110.65 | APE8-rot-in | 303.29 | APE67-dihe-in | -27.98, -53.24 | -75.85, -16.15 | APE12-dist-in | 9.3672 | APE11-dist-in | 11.627 | APE10-dist-out | 9.9117 | APE9-dist-out | 10.033 | None | None | None | XRAY | 2.96 | 0.197 | 0.255 | B | 443.0 | 380.0 | 9 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 6e9w | AGC_ROCK1_HUMAN | AGC | 4.2e-94 | 320.5 | 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 | 6E9WA | Q13464 | 9 | 404 | 1354.0 | J0P:501 | Type1 | Inactive | DFGin | 5.9399 | 12.9073 | ABAminus | -138.73, -20.79 | -111.43, 114.1 | -109.17, 19.11 | 307.72, 100.2 | -59.06, -19.52 | in-in | in | 8.7399 | Saltbr-in | 2.8039 | HRD-in | -69.49, -44.89 | 71.41, -17.92 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0534 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.98, 148.51 | APE9-dihe-na | 125.0, -143.28 | APE8-dihe-in | -119.0, 136.17 | APE8-rot-in | 293.48 | APE67-dihe-in | -80.63, -46.93 | -50.48, -33.35 | APE12-dist-in | 11.4614 | APE11-dist-in | 11.3244 | APE10-dist-in | 5.6173 | APE9-dist-in | 4.16 | None | None | None | XRAY | 2.96 | 0.197 | 0.255 | A | 443.0 | 383.0 | 5 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 6e9w | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 4.2e-94 | 320.5 | 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 | 6E9WB | Q13464 | 7 | 401 | 1354.0 | J0P:501 | Type1 | Inactive | DFGin | 6.1308 | 13.2322 | ABAminus | -138.25, -17.0 | -112.71, 103.23 | -100.64, 12.5 | 302.93, 104.22 | -62.68, -19.69 | in-in | in | 8.5718 | Saltbr-in | 2.8586 | HRD-in | -74.05, -53.13 | 88.59, -33.91 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0303 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioo | APE10-dihe-na | -80.59, -50.75 | APE9-dihe-na | 100.48, -142.0 | APE8-dihe-in | -66.64, 110.65 | APE8-rot-in | 303.29 | APE67-dihe-in | -27.98, -53.24 | -75.85, -16.15 | APE12-dist-in | 9.3672 | APE11-dist-in | 11.627 | APE10-dist-out | 9.9117 | APE9-dist-out | 10.033 | None | None | None | XRAY | 2.96 | 0.197 | 0.255 | B | 443.0 | 380.0 | 9 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 6e9w | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 4.2e-94 | 320.5 | 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 |
|---|