| 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 | 7S25A | Q13464 | 7 | 401 | 1354.0 | 86G:504 | Type1 | Inactive | DFGout | 12.3182 | 10.5395 | None | -104.78, 156.55 | -123.71, 119.26 | -167.75, -177.1 | 52.05, 88.34 | -122.16, 999.0 | in-in | in | 8.4534 | Saltbr-in | 2.7603 | HRD-in | -48.48, -35.86 | 65.44, -17.99 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -126.37 | APE8-dihe-in | -84.85, 138.74 | APE8-rot-in | 343.84 | APE67-dihe-in | -53.73, -33.25 | -65.56, -53.04 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 6.1051 | None | None | None | XRAY | 2.337 | 0.24 | 0.271 | A | 396.0 | 373.0 | 22 | 29 | 12 | 17 | [[76, 338]] | 1.0 | 7s25 | AGC_ROCK1_HUMAN | AGC | 3e-94 | 320.9 | 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 | 7S25B | Q13464 | 8 | 402 | 1354.0 | 86G:501 | Type1 | Inactive | DFGout | 12.1606 | 10.1444 | None | -102.96, 170.2 | -133.51, 102.53 | -164.51, 160.19 | 55.37, 93.46 | -104.18, 142.28 | in-in | in | 8.6472 | Saltbr-in | 2.7102 | HRD-in | -64.3, -54.36 | 69.65, -10.64 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioo | APE10-dihe-na | -102.96, -6.09 | APE9-dihe-na | 73.94, -123.45 | APE8-dihe-in | -79.15, 120.74 | APE8-rot-in | 312.82 | APE67-dihe-in | -46.47, -33.29 | -85.89, -15.42 | APE12-dist-in | 11.3205 | APE11-dist-in | 11.3061 | APE10-dist-out | 9.4116 | APE9-dist-out | 8.4049 | None | None | None | XRAY | 2.337 | 0.24 | 0.271 | B | 396.0 | 379.0 | 12 | 29 | 17 | 12 | [[76, 338]] | 1.0 | 7s25 | AGC_ROCK1_HUMAN | AGC | 3e-94 | 320.9 | 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 | 7S25C | Q13464 | 13 | 402 | 1354.0 | 86G:501 | Type1 | Inactive | DFGout | 12.6929 | 10.5438 | None | -104.89, 170.47 | -133.65, 98.69 | -152.01, 158.42 | 54.9, 83.0 | -75.12, 999.0 | in-in | in | 8.5051 | Saltbr-in | 2.7988 | HRD-in | -63.41, -47.95 | 72.04, -26.33 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 89.67 | APE8-rot-out | 72.08 | APE67-dihe-in | -54.43, -34.25 | -48.72, -39.85 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.337 | 0.24 | 0.271 | C | 396.0 | 361.0 | 18 | 29 | 11 | 18 | [[76, 338]] | 1.0 | 7s25 | AGC_ROCK1_HUMAN | AGC | 3e-94 | 320.9 | 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 | 7S25D | Q13464 | 9 | 401 | 1354.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -105.32, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | in-in | in | 8.4721 | Saltbr-in | 2.7334 | HRD-in | -82.09, -47.81 | 61.94, 11.48 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | 999.0, 999.0 | 999.0, 999.0 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.337 | 0.24 | 0.271 | D | 396.0 | 257.0 | 113 | 29 | 0 | 29 | [[76, 338]] | 1.0 | 7s25 | AGC_ROCK1_HUMAN | AGC | 3e-94 | 320.9 | 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 | 7S25A | Q13464 | 7 | 401 | 1354.0 | 86G:504 | Type1 | Inactive | DFGout | 12.3182 | 10.5395 | None | -104.78, 156.55 | -123.71, 119.26 | -167.75, -177.1 | 52.05, 88.34 | -122.16, 999.0 | in-in | in | 8.4534 | Saltbr-in | 2.7603 | HRD-in | -48.48, -35.86 | 65.44, -17.99 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -126.37 | APE8-dihe-in | -84.85, 138.74 | APE8-rot-in | 343.84 | APE67-dihe-in | -53.73, -33.25 | -65.56, -53.04 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 6.1051 | None | None | None | XRAY | 2.337 | 0.24 | 0.271 | A | 396.0 | 373.0 | 22 | 29 | 12 | 17 | [[76, 338]] | 1.0 | 7s25 | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3e-94 | 320.9 | 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 | 7S25B | Q13464 | 8 | 402 | 1354.0 | 86G:501 | Type1 | Inactive | DFGout | 12.1606 | 10.1444 | None | -102.96, 170.2 | -133.51, 102.53 | -164.51, 160.19 | 55.37, 93.46 | -104.18, 142.28 | in-in | in | 8.6472 | Saltbr-in | 2.7102 | HRD-in | -64.3, -54.36 | 69.65, -10.64 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioo | APE10-dihe-na | -102.96, -6.09 | APE9-dihe-na | 73.94, -123.45 | APE8-dihe-in | -79.15, 120.74 | APE8-rot-in | 312.82 | APE67-dihe-in | -46.47, -33.29 | -85.89, -15.42 | APE12-dist-in | 11.3205 | APE11-dist-in | 11.3061 | APE10-dist-out | 9.4116 | APE9-dist-out | 8.4049 | None | None | None | XRAY | 2.337 | 0.24 | 0.271 | B | 396.0 | 379.0 | 12 | 29 | 17 | 12 | [[76, 338]] | 1.0 | 7s25 | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3e-94 | 320.9 | 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 | 7S25C | Q13464 | 13 | 402 | 1354.0 | 86G:501 | Type1 | Inactive | DFGout | 12.6929 | 10.5438 | None | -104.89, 170.47 | -133.65, 98.69 | -152.01, 158.42 | 54.9, 83.0 | -75.12, 999.0 | in-in | in | 8.5051 | Saltbr-in | 2.7988 | HRD-in | -63.41, -47.95 | 72.04, -26.33 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 89.67 | APE8-rot-out | 72.08 | APE67-dihe-in | -54.43, -34.25 | -48.72, -39.85 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.337 | 0.24 | 0.271 | C | 396.0 | 361.0 | 18 | 29 | 11 | 18 | [[76, 338]] | 1.0 | 7s25 | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3e-94 | 320.9 | 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 | 7S25D | Q13464 | 9 | 401 | 1354.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -105.32, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | in-in | in | 8.4721 | Saltbr-in | 2.7334 | HRD-in | -82.09, -47.81 | 61.94, 11.48 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | 999.0, 999.0 | 999.0, 999.0 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.337 | 0.24 | 0.271 | D | 396.0 | 257.0 | 113 | 29 | 0 | 29 | [[76, 338]] | 1.0 | 7s25 | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3e-94 | 320.9 | 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 |
|---|