| 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 | 5WNEA | Q13464 | 14 | 400 | 1354.0 | B4J:60501 | Type1.5_Front | Active | DFGin | 6.2249 | 13.5671 | BLAminus | -135.0, 175.35 | 53.04, 84.77 | -102.97, 28.35 | 302.63, 101.99 | -70.63, -10.88 | in-in | in | 8.9515 | Saltbr-in | 2.8119 | HRD-in | -65.73, -50.65 | 71.21, -5.22 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9666 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.88, 137.37 | APE9-dihe-na | 126.73, -152.59 | APE8-dihe-in | -112.81, 138.1 | APE8-rot-in | 304.24 | APE67-dihe-in | -78.8, -30.66 | -52.66, -36.48 | APE12-dist-in | 10.9845 | APE11-dist-in | 11.5429 | APE10-dist-in | 5.8817 | APE9-dist-in | 3.725 | None | None | None | XRAY | 2.6 | 0.229 | 0.246 | A | 415.0 | 384.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wne | 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 | 5WNEB | Q13464 | 6 | 402 | 1354.0 | B4J:60900 | Type1.5_Front | None | DFGin | 6.1578 | 13.4294 | BLAminus | -143.39, 177.51 | 52.52, 73.92 | -94.42, 17.67 | 303.21, 98.37 | -69.6, 5.07 | in-in | in | 8.3856 | Saltbr-in | 2.8488 | HRD-in | -60.97, -51.26 | 69.54, -7.09 | in-in-none | SNCiin | in-none | ActLoopNT-in | 3.2345 | 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 | -78.48, -24.9 | 999.0, -22.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.6 | 0.229 | 0.246 | B | 415.0 | 351.0 | 34 | 29 | 20 | 9 | [[76, 338]] | 1.0 | 5wne | 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 | 5WNEC | Q13464 | 6 | 402 | 1354.0 | B4J:60900 | Type1.5_Front | Active | DFGin | 6.226 | 13.3122 | BLAminus | -141.6, 173.01 | 60.67, 84.57 | -108.59, 26.04 | 304.33, 107.59 | -71.96, -9.2 | in-in | in | 8.5563 | Saltbr-in | 2.8148 | HRD-in | -53.88, -50.49 | 68.34, -4.44 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.3237 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.23, 131.39 | APE9-dihe-na | 141.47, -150.22 | APE8-dihe-in | -114.01, 135.26 | APE8-rot-in | 304.1 | APE67-dihe-in | -79.17, -28.35 | -50.74, -38.29 | APE12-dist-in | 10.7791 | APE11-dist-in | 11.5888 | APE10-dist-in | 5.7354 | APE9-dist-in | 3.8217 | None | None | None | XRAY | 2.6 | 0.229 | 0.246 | C | 415.0 | 382.0 | 9 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wne | 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 | 5WNED | Q13464 | 7 | 402 | 1354.0 | B4J:60900 | Type1.5_Front | Active | DFGin | 6.1094 | 13.3805 | BLAminus | -136.38, 179.68 | 48.06, 76.76 | -93.24, 35.49 | 302.92, 95.86 | -65.45, -20.45 | in-in | in | 8.4868 | Saltbr-in | 2.7853 | HRD-in | -58.19, -50.71 | 67.27, -4.18 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.2218 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.61, 140.56 | APE9-dihe-na | 127.23, -150.56 | APE8-dihe-in | -113.66, 136.6 | APE8-rot-in | 304.03 | APE67-dihe-in | -77.29, -31.2 | -52.52, -36.89 | APE12-dist-in | 10.389 | APE11-dist-in | 11.4346 | APE10-dist-in | 5.7778 | APE9-dist-in | 3.8342 | None | None | None | XRAY | 2.6 | 0.229 | 0.246 | D | 415.0 | 396.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wne | 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 | 5WNEA | Q13464 | 14 | 400 | 1354.0 | B4J:60501 | Type1.5_Front | Active | DFGin | 6.2249 | 13.5671 | BLAminus | -135.0, 175.35 | 53.04, 84.77 | -102.97, 28.35 | 302.63, 101.99 | -70.63, -10.88 | in-in | in | 8.9515 | Saltbr-in | 2.8119 | HRD-in | -65.73, -50.65 | 71.21, -5.22 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9666 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.88, 137.37 | APE9-dihe-na | 126.73, -152.59 | APE8-dihe-in | -112.81, 138.1 | APE8-rot-in | 304.24 | APE67-dihe-in | -78.8, -30.66 | -52.66, -36.48 | APE12-dist-in | 10.9845 | APE11-dist-in | 11.5429 | APE10-dist-in | 5.8817 | APE9-dist-in | 3.725 | None | None | None | XRAY | 2.6 | 0.229 | 0.246 | A | 415.0 | 384.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wne | 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 | 5WNEB | Q13464 | 6 | 402 | 1354.0 | B4J:60900 | Type1.5_Front | None | DFGin | 6.1578 | 13.4294 | BLAminus | -143.39, 177.51 | 52.52, 73.92 | -94.42, 17.67 | 303.21, 98.37 | -69.6, 5.07 | in-in | in | 8.3856 | Saltbr-in | 2.8488 | HRD-in | -60.97, -51.26 | 69.54, -7.09 | in-in-none | SNCiin | in-none | ActLoopNT-in | 3.2345 | 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 | -78.48, -24.9 | 999.0, -22.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.6 | 0.229 | 0.246 | B | 415.0 | 351.0 | 34 | 29 | 20 | 9 | [[76, 338]] | 1.0 | 5wne | 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 | 5WNEC | Q13464 | 6 | 402 | 1354.0 | B4J:60900 | Type1.5_Front | Active | DFGin | 6.226 | 13.3122 | BLAminus | -141.6, 173.01 | 60.67, 84.57 | -108.59, 26.04 | 304.33, 107.59 | -71.96, -9.2 | in-in | in | 8.5563 | Saltbr-in | 2.8148 | HRD-in | -53.88, -50.49 | 68.34, -4.44 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.3237 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.23, 131.39 | APE9-dihe-na | 141.47, -150.22 | APE8-dihe-in | -114.01, 135.26 | APE8-rot-in | 304.1 | APE67-dihe-in | -79.17, -28.35 | -50.74, -38.29 | APE12-dist-in | 10.7791 | APE11-dist-in | 11.5888 | APE10-dist-in | 5.7354 | APE9-dist-in | 3.8217 | None | None | None | XRAY | 2.6 | 0.229 | 0.246 | C | 415.0 | 382.0 | 9 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wne | 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 | 5WNED | Q13464 | 7 | 402 | 1354.0 | B4J:60900 | Type1.5_Front | Active | DFGin | 6.1094 | 13.3805 | BLAminus | -136.38, 179.68 | 48.06, 76.76 | -93.24, 35.49 | 302.92, 95.86 | -65.45, -20.45 | in-in | in | 8.4868 | Saltbr-in | 2.7853 | HRD-in | -58.19, -50.71 | 67.27, -4.18 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.2218 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.61, 140.56 | APE9-dihe-na | 127.23, -150.56 | APE8-dihe-in | -113.66, 136.6 | APE8-rot-in | 304.03 | APE67-dihe-in | -77.29, -31.2 | -52.52, -36.89 | APE12-dist-in | 10.389 | APE11-dist-in | 11.4346 | APE10-dist-in | 5.7778 | APE9-dist-in | 3.8342 | None | None | None | XRAY | 2.6 | 0.229 | 0.246 | D | 415.0 | 396.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wne | 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 |
|---|