| 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 | 2ETRA | Q13464 | 6 | 405 | 1354.0 | Y27:60416 | Type1 | Active | DFGin | 6.0233 | 14.0327 | BLAminus | -115.35, 151.29 | 66.22, 120.62 | -135.54, 23.8 | 302.55, 92.69 | -59.35, -26.34 | in-in | in | 8.7862 | Saltbr-in | 2.7333 | HRD-in | -66.03, -45.85 | 73.19, -11.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0951 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.94, 135.12 | APE9-dihe-na | 138.18, -155.48 | APE8-dihe-in | -122.76, 133.42 | APE8-rot-in | 310.03 | APE67-dihe-in | -71.74, -29.22 | -38.34, -50.83 | APE12-dist-in | 11.7477 | APE11-dist-in | 11.548 | APE10-dist-in | 5.8769 | APE9-dist-in | 3.7015 | None | None | None | XRAY | 2.6 | 0.252 | 0.266 | A | 415.0 | 400.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 2etr | 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 | 2ETRB | Q13464 | 6 | 402 | 1354.0 | Y27:60416 | Type1 | Inactive | DFGin | 5.8642 | 13.4794 | BLAminus | -117.79, 150.58 | 66.33, 120.21 | -134.86, 36.11 | 306.16, 88.12 | -76.52, 0.93 | in-in | in | 8.6856 | Saltbr-in | 2.7524 | HRD-in | -64.78, -48.06 | 73.52, -11.25 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1344 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iioo | APE10-dihe-na | -133.18, 138.43 | APE9-dihe-na | -103.78, 137.39 | APE8-dihe-out | 35.65, 91.86 | APE8-rot-out | 53.99 | APE67-dihe-in | -36.65, -43.6 | -71.33, -4.49 | APE12-dist-in | 8.9107 | APE11-dist-in | 12.3333 | APE10-dist-out | 10.993 | APE9-dist-out | 9.4207 | None | None | None | XRAY | 2.6 | 0.252 | 0.266 | B | 415.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 2etr | 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 | 2ETRA | Q13464 | 6 | 405 | 1354.0 | Y27:60416 | Type1 | Active | DFGin | 6.0233 | 14.0327 | BLAminus | -115.35, 151.29 | 66.22, 120.62 | -135.54, 23.8 | 302.55, 92.69 | -59.35, -26.34 | in-in | in | 8.7862 | Saltbr-in | 2.7333 | HRD-in | -66.03, -45.85 | 73.19, -11.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0951 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.94, 135.12 | APE9-dihe-na | 138.18, -155.48 | APE8-dihe-in | -122.76, 133.42 | APE8-rot-in | 310.03 | APE67-dihe-in | -71.74, -29.22 | -38.34, -50.83 | APE12-dist-in | 11.7477 | APE11-dist-in | 11.548 | APE10-dist-in | 5.8769 | APE9-dist-in | 3.7015 | None | None | None | XRAY | 2.6 | 0.252 | 0.266 | A | 415.0 | 400.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 2etr | 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 | 2ETRB | Q13464 | 6 | 402 | 1354.0 | Y27:60416 | Type1 | Inactive | DFGin | 5.8642 | 13.4794 | BLAminus | -117.79, 150.58 | 66.33, 120.21 | -134.86, 36.11 | 306.16, 88.12 | -76.52, 0.93 | in-in | in | 8.6856 | Saltbr-in | 2.7524 | HRD-in | -64.78, -48.06 | 73.52, -11.25 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1344 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iioo | APE10-dihe-na | -133.18, 138.43 | APE9-dihe-na | -103.78, 137.39 | APE8-dihe-out | 35.65, 91.86 | APE8-rot-out | 53.99 | APE67-dihe-in | -36.65, -43.6 | -71.33, -4.49 | APE12-dist-in | 8.9107 | APE11-dist-in | 12.3333 | APE10-dist-out | 10.993 | APE9-dist-out | 9.4207 | None | None | None | XRAY | 2.6 | 0.252 | 0.266 | B | 415.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 2etr | 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 |
|---|