| 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 | 5KKSA | Q13464 | 6 | 405 | 1354.0 | 6U1:60501 | Type1 | Active | DFGin | 6.1858 | 13.3524 | BLAminus | -142.64, 177.27 | 59.6, 62.04 | -81.65, 21.26 | 304.3, 101.28 | -54.79, -41.15 | in-in | in | 8.259 | Saltbr-in | 2.7539 | HRD-in | -54.42, -38.35 | 63.96, -11.55 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0779 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.2, 147.03 | APE9-dihe-na | 120.6, -151.04 | APE8-dihe-in | -115.4, 140.07 | APE8-rot-in | 299.71 | APE67-dihe-in | -59.58, -43.85 | -44.15, -59.93 | APE12-dist-in | 11.8871 | APE11-dist-in | 11.441 | APE10-dist-in | 5.829 | APE9-dist-in | 3.7483 | None | None | None | XRAY | 3.3 | 0.215 | 0.254 | A | 415.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5kks | 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 | 5KKSB | Q13464 | 6 | 402 | 1354.0 | 6U1:60501 | Type1.5_Front | Inactive | DFGin | 6.1398 | 13.3356 | BLAminus | -142.66, 177.11 | 58.73, 60.85 | -80.32, 21.73 | 304.44, 101.0 | -56.11, -39.34 | in-in | in | 8.227 | Saltbr-in | 2.7464 | HRD-in | -68.72, -42.28 | 78.49, -44.71 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0698 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iioo | APE10-dihe-na | -104.48, 133.16 | APE9-dihe-na | -95.73, 130.38 | APE8-dihe-out | 63.66, 89.81 | APE8-rot-out | 67.34 | APE67-dihe-in | -44.41, -53.62 | -78.83, 5.04 | APE12-dist-in | 8.7146 | APE11-dist-in | 12.1744 | APE10-dist-out | 8.6492 | APE9-dist-out | 10.2132 | None | None | None | XRAY | 3.3 | 0.215 | 0.254 | B | 415.0 | 394.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5kks | 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 | 5KKSA | Q13464 | 6 | 405 | 1354.0 | 6U1:60501 | Type1 | Active | DFGin | 6.1858 | 13.3524 | BLAminus | -142.64, 177.27 | 59.6, 62.04 | -81.65, 21.26 | 304.3, 101.28 | -54.79, -41.15 | in-in | in | 8.259 | Saltbr-in | 2.7539 | HRD-in | -54.42, -38.35 | 63.96, -11.55 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0779 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.2, 147.03 | APE9-dihe-na | 120.6, -151.04 | APE8-dihe-in | -115.4, 140.07 | APE8-rot-in | 299.71 | APE67-dihe-in | -59.58, -43.85 | -44.15, -59.93 | APE12-dist-in | 11.8871 | APE11-dist-in | 11.441 | APE10-dist-in | 5.829 | APE9-dist-in | 3.7483 | None | None | None | XRAY | 3.3 | 0.215 | 0.254 | A | 415.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5kks | 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 | 5KKSB | Q13464 | 6 | 402 | 1354.0 | 6U1:60501 | Type1.5_Front | Inactive | DFGin | 6.1398 | 13.3356 | BLAminus | -142.66, 177.11 | 58.73, 60.85 | -80.32, 21.73 | 304.44, 101.0 | -56.11, -39.34 | in-in | in | 8.227 | Saltbr-in | 2.7464 | HRD-in | -68.72, -42.28 | 78.49, -44.71 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0698 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iioo | APE10-dihe-na | -104.48, 133.16 | APE9-dihe-na | -95.73, 130.38 | APE8-dihe-out | 63.66, 89.81 | APE8-rot-out | 67.34 | APE67-dihe-in | -44.41, -53.62 | -78.83, 5.04 | APE12-dist-in | 8.7146 | APE11-dist-in | 12.1744 | APE10-dist-out | 8.6492 | APE9-dist-out | 10.2132 | None | None | None | XRAY | 3.3 | 0.215 | 0.254 | B | 415.0 | 394.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5kks | 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 |
|---|