| 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 | 3NCZA | Q13464 | 6 | 402 | 1354.0 | 3NC:60900 | Type1 | Inactive | DFGin | 6.3351 | 13.7746 | ABAminus | -116.14, -12.55 | -138.55, 134.31 | -126.47, 14.42 | 296.82, 87.82 | -51.46, -39.63 | in-in | in | 9.3064 | Saltbr-in | 3.5369 | HRD-in | -78.05, -50.28 | 73.4, -14.49 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1611 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -112.89, -176.36 | APE9-dihe-na | 133.28, -167.86 | APE8-dihe-in | -125.48, 134.73 | APE8-rot-in | 280.08 | APE67-dihe-in | -84.68, -47.89 | -24.91, -55.61 | APE12-dist-in | 12.5948 | APE11-dist-in | 10.0721 | APE10-dist-in | 5.4476 | APE9-dist-in | 3.5513 | None | None | None | XRAY | 3.0 | 0.259 | 0.328 | A | 415.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3ncz | 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 | 3NCZB | Q13464 | 6 | 402 | 1354.0 | 3NC:60900 | Type1 | Inactive | DFGin | 6.1679 | 13.4387 | ABAminus | -114.85, -16.66 | -131.56, 138.9 | -136.04, 17.21 | 298.24, 65.97 | -58.26, -38.43 | in-in | in | 9.3127 | Saltbr-in | 2.4923 | HRD-in | -79.75, -44.81 | 74.12, -17.68 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9695 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoi | APE10-dihe-na | 999.0, -112.01 | APE9-dihe-na | -175.97, -67.78 | APE8-dihe-in | -149.88, 165.72 | APE8-rot-out | 209.54 | APE67-dihe-in | -50.79, -11.63 | -86.98, -72.6 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 10.1427 | APE9-dist-in | 4.9766 | None | None | None | XRAY | 3.0 | 0.259 | 0.328 | B | 415.0 | 377.0 | 15 | 29 | 27 | 2 | [[76, 338]] | 1.0 | 3ncz | 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 | 3NCZC | Q13464 | 6 | 404 | 1354.0 | 3NC:60900 | Type1 | Inactive | DFGin | 5.957 | 13.3497 | ABAminus | -116.08, -7.73 | -136.42, 136.67 | -131.83, 24.74 | 306.96, 86.44 | -58.54, -34.95 | in-in | in | 9.2231 | Saltbr-in | 3.4913 | HRD-in | -83.49, -46.62 | 73.83, -20.27 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.156 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -84.05, 125.19 | APE9-dihe-na | 160.07, -158.87 | APE8-dihe-in | -144.7, 128.84 | APE8-rot-in | 311.05 | APE67-dihe-in | -25.99, -52.32 | -21.36, -99.97 | APE12-dist-in | 10.1876 | APE11-dist-in | 11.672 | APE10-dist-in | 5.7284 | APE9-dist-in | 3.5946 | None | None | None | XRAY | 3.0 | 0.259 | 0.328 | C | 415.0 | 387.0 | 6 | 29 | 28 | 1 | [[76, 338]] | 1.0 | 3ncz | 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 | 3NCZD | Q13464 | 6 | 402 | 1354.0 | 3NC:60900 | Type1 | Inactive | DFGin | 6.0074 | 13.3983 | ABAminus | -130.28, 7.59 | -144.4, 127.27 | -129.17, 19.34 | 304.27, 91.75 | -57.04, -39.11 | in-in | in | 9.2145 | Saltbr-in | 3.5626 | HRD-in | -74.16, -50.68 | 74.64, -10.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.982 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.26, 158.97 | APE9-dihe-na | 125.95, -146.31 | APE8-dihe-in | -122.54, 128.42 | APE8-rot-in | 314.26 | APE67-dihe-in | -57.68, -28.69 | -36.8, -72.93 | APE12-dist-in | 12.3984 | APE11-dist-in | 11.2691 | APE10-dist-in | 6.3433 | APE9-dist-in | 4.4138 | None | None | None | XRAY | 3.0 | 0.259 | 0.328 | D | 415.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3ncz | 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 | 3NCZA | Q13464 | 6 | 402 | 1354.0 | 3NC:60900 | Type1 | Inactive | DFGin | 6.3351 | 13.7746 | ABAminus | -116.14, -12.55 | -138.55, 134.31 | -126.47, 14.42 | 296.82, 87.82 | -51.46, -39.63 | in-in | in | 9.3064 | Saltbr-in | 3.5369 | HRD-in | -78.05, -50.28 | 73.4, -14.49 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1611 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -112.89, -176.36 | APE9-dihe-na | 133.28, -167.86 | APE8-dihe-in | -125.48, 134.73 | APE8-rot-in | 280.08 | APE67-dihe-in | -84.68, -47.89 | -24.91, -55.61 | APE12-dist-in | 12.5948 | APE11-dist-in | 10.0721 | APE10-dist-in | 5.4476 | APE9-dist-in | 3.5513 | None | None | None | XRAY | 3.0 | 0.259 | 0.328 | A | 415.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3ncz | 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 | 3NCZB | Q13464 | 6 | 402 | 1354.0 | 3NC:60900 | Type1 | Inactive | DFGin | 6.1679 | 13.4387 | ABAminus | -114.85, -16.66 | -131.56, 138.9 | -136.04, 17.21 | 298.24, 65.97 | -58.26, -38.43 | in-in | in | 9.3127 | Saltbr-in | 2.4923 | HRD-in | -79.75, -44.81 | 74.12, -17.68 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9695 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoi | APE10-dihe-na | 999.0, -112.01 | APE9-dihe-na | -175.97, -67.78 | APE8-dihe-in | -149.88, 165.72 | APE8-rot-out | 209.54 | APE67-dihe-in | -50.79, -11.63 | -86.98, -72.6 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 10.1427 | APE9-dist-in | 4.9766 | None | None | None | XRAY | 3.0 | 0.259 | 0.328 | B | 415.0 | 377.0 | 15 | 29 | 27 | 2 | [[76, 338]] | 1.0 | 3ncz | 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 | 3NCZC | Q13464 | 6 | 404 | 1354.0 | 3NC:60900 | Type1 | Inactive | DFGin | 5.957 | 13.3497 | ABAminus | -116.08, -7.73 | -136.42, 136.67 | -131.83, 24.74 | 306.96, 86.44 | -58.54, -34.95 | in-in | in | 9.2231 | Saltbr-in | 3.4913 | HRD-in | -83.49, -46.62 | 73.83, -20.27 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.156 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -84.05, 125.19 | APE9-dihe-na | 160.07, -158.87 | APE8-dihe-in | -144.7, 128.84 | APE8-rot-in | 311.05 | APE67-dihe-in | -25.99, -52.32 | -21.36, -99.97 | APE12-dist-in | 10.1876 | APE11-dist-in | 11.672 | APE10-dist-in | 5.7284 | APE9-dist-in | 3.5946 | None | None | None | XRAY | 3.0 | 0.259 | 0.328 | C | 415.0 | 387.0 | 6 | 29 | 28 | 1 | [[76, 338]] | 1.0 | 3ncz | 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 | 3NCZD | Q13464 | 6 | 402 | 1354.0 | 3NC:60900 | Type1 | Inactive | DFGin | 6.0074 | 13.3983 | ABAminus | -130.28, 7.59 | -144.4, 127.27 | -129.17, 19.34 | 304.27, 91.75 | -57.04, -39.11 | in-in | in | 9.2145 | Saltbr-in | 3.5626 | HRD-in | -74.16, -50.68 | 74.64, -10.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.982 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.26, 158.97 | APE9-dihe-na | 125.95, -146.31 | APE8-dihe-in | -122.54, 128.42 | APE8-rot-in | 314.26 | APE67-dihe-in | -57.68, -28.69 | -36.8, -72.93 | APE12-dist-in | 12.3984 | APE11-dist-in | 11.2691 | APE10-dist-in | 6.3433 | APE9-dist-in | 4.4138 | None | None | None | XRAY | 3.0 | 0.259 | 0.328 | D | 415.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3ncz | 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 |
|---|