| 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 | 4W7PA | Q13464 | 6 | 405 | 1354.0 | 3J7:501 | Type1 | Active | DFGin | 6.2588 | 12.9783 | BLAminus | -131.32, -179.69 | 55.02, 77.47 | -91.49, 17.42 | 302.12, 101.71 | -69.96, -11.88 | in-in | in | 8.1822 | Saltbr-in | 2.5657 | HRD-in | -62.73, -47.54 | 67.38, -1.52 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0768 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.79, 138.22 | APE9-dihe-na | 110.79, -174.17 | APE8-dihe-in | -93.29, 129.06 | APE8-rot-in | 302.8 | APE67-dihe-in | -74.33, -31.52 | -36.7, -38.86 | APE12-dist-in | 10.7312 | APE11-dist-in | 11.4617 | APE10-dist-in | 5.9518 | APE9-dist-in | 3.6742 | None | None | None | XRAY | 2.8 | 0.208 | 0.246 | A | 411.0 | 388.0 | 6 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4w7p | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 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 | 4W7PB | Q13464 | 6 | 401 | 1354.0 | 3J7:501 | Type1 | Active | DFGin | 6.1538 | 13.4355 | BLAminus | -133.96, 174.8 | 56.5, 83.88 | -98.36, 33.02 | 302.17, 98.2 | -70.04, -15.43 | in-in | in | 8.2136 | Saltbr-in | 2.7259 | HRD-in | -62.94, -46.77 | 66.68, -0.73 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0944 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.83, 139.14 | APE9-dihe-na | 109.13, -172.67 | APE8-dihe-in | -92.68, 127.41 | APE8-rot-in | 302.74 | APE67-dihe-in | -74.45, -31.78 | -35.08, -39.48 | APE12-dist-in | 10.707 | APE11-dist-in | 11.4081 | APE10-dist-in | 5.8831 | APE9-dist-in | 3.7029 | None | None | None | XRAY | 2.8 | 0.208 | 0.246 | B | 411.0 | 387.0 | 6 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4w7p | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 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 | 4W7PC | Q13464 | 6 | 401 | 1354.0 | 3J7:501 | Type1 | Active | DFGin | 6.2818 | 13.2559 | BLAminus | -124.31, 179.51 | 53.21, 87.62 | -105.48, 23.02 | 305.5, 95.5 | -67.24, -3.72 | in-in | in | 8.2573 | Saltbr-in | 2.7974 | HRD-in | -62.84, -46.85 | 67.56, -2.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0897 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.95, 139.35 | APE9-dihe-na | 109.16, -174.28 | APE8-dihe-in | -91.11, 127.59 | APE8-rot-in | 304.22 | APE67-dihe-in | -73.68, -32.3 | -37.14, -39.74 | APE12-dist-in | 10.7249 | APE11-dist-in | 11.5406 | APE10-dist-in | 6.024 | APE9-dist-in | 3.6753 | None | None | None | XRAY | 2.8 | 0.208 | 0.246 | C | 411.0 | 383.0 | 7 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4w7p | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 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 | 4W7PD | Q13464 | 6 | 403 | 1354.0 | 3J7:501 | Type1 | Active | DFGin | 6.3521 | 13.3209 | BLAminus | -140.19, -177.5 | 56.39, 77.39 | -95.5, 16.8 | 300.98, 99.72 | -61.76, -14.51 | in-in | in | 8.2911 | Saltbr-in | 2.8359 | HRD-in | -63.87, -49.18 | 67.62, 4.17 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0978 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.12, 138.83 | APE9-dihe-na | 110.39, -175.06 | APE8-dihe-in | -91.75, 128.12 | APE8-rot-in | 303.98 | APE67-dihe-in | -75.08, -31.43 | -35.22, -39.46 | APE12-dist-in | 10.6803 | APE11-dist-in | 11.4828 | APE10-dist-in | 5.9317 | APE9-dist-in | 3.7023 | None | None | None | XRAY | 2.8 | 0.208 | 0.246 | D | 411.0 | 387.0 | 6 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4w7p | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 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 | 4W7PA | Q13464 | 6 | 405 | 1354.0 | 3J7:501 | Type1 | Active | DFGin | 6.2588 | 12.9783 | BLAminus | -131.32, -179.69 | 55.02, 77.47 | -91.49, 17.42 | 302.12, 101.71 | -69.96, -11.88 | in-in | in | 8.1822 | Saltbr-in | 2.5657 | HRD-in | -62.73, -47.54 | 67.38, -1.52 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0768 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.79, 138.22 | APE9-dihe-na | 110.79, -174.17 | APE8-dihe-in | -93.29, 129.06 | APE8-rot-in | 302.8 | APE67-dihe-in | -74.33, -31.52 | -36.7, -38.86 | APE12-dist-in | 10.7312 | APE11-dist-in | 11.4617 | APE10-dist-in | 5.9518 | APE9-dist-in | 3.6742 | None | None | None | XRAY | 2.8 | 0.208 | 0.246 | A | 411.0 | 388.0 | 6 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4w7p | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 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 | 4W7PB | Q13464 | 6 | 401 | 1354.0 | 3J7:501 | Type1 | Active | DFGin | 6.1538 | 13.4355 | BLAminus | -133.96, 174.8 | 56.5, 83.88 | -98.36, 33.02 | 302.17, 98.2 | -70.04, -15.43 | in-in | in | 8.2136 | Saltbr-in | 2.7259 | HRD-in | -62.94, -46.77 | 66.68, -0.73 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0944 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.83, 139.14 | APE9-dihe-na | 109.13, -172.67 | APE8-dihe-in | -92.68, 127.41 | APE8-rot-in | 302.74 | APE67-dihe-in | -74.45, -31.78 | -35.08, -39.48 | APE12-dist-in | 10.707 | APE11-dist-in | 11.4081 | APE10-dist-in | 5.8831 | APE9-dist-in | 3.7029 | None | None | None | XRAY | 2.8 | 0.208 | 0.246 | B | 411.0 | 387.0 | 6 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4w7p | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 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 | 4W7PC | Q13464 | 6 | 401 | 1354.0 | 3J7:501 | Type1 | Active | DFGin | 6.2818 | 13.2559 | BLAminus | -124.31, 179.51 | 53.21, 87.62 | -105.48, 23.02 | 305.5, 95.5 | -67.24, -3.72 | in-in | in | 8.2573 | Saltbr-in | 2.7974 | HRD-in | -62.84, -46.85 | 67.56, -2.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0897 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.95, 139.35 | APE9-dihe-na | 109.16, -174.28 | APE8-dihe-in | -91.11, 127.59 | APE8-rot-in | 304.22 | APE67-dihe-in | -73.68, -32.3 | -37.14, -39.74 | APE12-dist-in | 10.7249 | APE11-dist-in | 11.5406 | APE10-dist-in | 6.024 | APE9-dist-in | 3.6753 | None | None | None | XRAY | 2.8 | 0.208 | 0.246 | C | 411.0 | 383.0 | 7 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4w7p | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 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 | 4W7PD | Q13464 | 6 | 403 | 1354.0 | 3J7:501 | Type1 | Active | DFGin | 6.3521 | 13.3209 | BLAminus | -140.19, -177.5 | 56.39, 77.39 | -95.5, 16.8 | 300.98, 99.72 | -61.76, -14.51 | in-in | in | 8.2911 | Saltbr-in | 2.8359 | HRD-in | -63.87, -49.18 | 67.62, 4.17 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0978 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.12, 138.83 | APE9-dihe-na | 110.39, -175.06 | APE8-dihe-in | -91.75, 128.12 | APE8-rot-in | 303.98 | APE67-dihe-in | -75.08, -31.43 | -35.22, -39.46 | APE12-dist-in | 10.6803 | APE11-dist-in | 11.4828 | APE10-dist-in | 5.9317 | APE9-dist-in | 3.7023 | None | None | None | XRAY | 2.8 | 0.208 | 0.246 | D | 411.0 | 387.0 | 6 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 4w7p | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 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 |
|---|