| 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 | 5KKTA | Q13464 | 6 | 405 | 1354.0 | 6U2:60501 | Type1 | Active | DFGin | 6.3353 | 13.5854 | BLAminus | -128.59, -176.48 | 50.52, 79.42 | -95.97, 17.69 | 299.29, 99.89 | -62.82, -14.55 | in-in | in | 8.893 | Saltbr-in | 2.7725 | HRD-in | -67.63, -48.61 | 71.19, -4.25 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0473 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -145.03, 142.19 | APE9-dihe-na | 128.21, -142.04 | APE8-dihe-in | -128.93, 139.4 | APE8-rot-in | 303.92 | APE67-dihe-in | -73.59, -33.97 | -48.22, -44.35 | APE12-dist-in | 11.474 | APE11-dist-in | 11.6748 | APE10-dist-in | 6.1732 | APE9-dist-in | 3.6061 | None | None | None | XRAY | 2.8 | 0.223 | 0.237 | A | 415.0 | 389.0 | 4 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5kkt | 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 | 5KKTB | Q13464 | 6 | 402 | 1354.0 | 6U2:60501 | Type1.5_Front | Inactive | DFGin | 6.3063 | 13.5992 | BLAminus | -130.02, -177.11 | 50.1, 80.15 | -95.96, 18.23 | 299.48, 98.02 | -62.02, -10.47 | in-in | in | 8.8895 | Saltbr-in | 2.7797 | HRD-in | -68.38, -47.41 | 71.48, -14.73 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0727 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -110.61, 86.79 | APE9-dihe-na | -63.17, 97.09 | APE8-dihe-out | 74.12, 110.85 | APE8-rot-in | 316.95 | APE67-dihe-in | -53.36, -37.05 | -91.57, 10.0 | APE12-dist-in | 8.4324 | APE11-dist-in | 11.3574 | APE10-dist-out | 10.1986 | APE9-dist-out | 9.4216 | None | None | None | XRAY | 2.8 | 0.223 | 0.237 | B | 415.0 | 393.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5kkt | 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 | 5KKTA | Q13464 | 6 | 405 | 1354.0 | 6U2:60501 | Type1 | Active | DFGin | 6.3353 | 13.5854 | BLAminus | -128.59, -176.48 | 50.52, 79.42 | -95.97, 17.69 | 299.29, 99.89 | -62.82, -14.55 | in-in | in | 8.893 | Saltbr-in | 2.7725 | HRD-in | -67.63, -48.61 | 71.19, -4.25 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0473 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -145.03, 142.19 | APE9-dihe-na | 128.21, -142.04 | APE8-dihe-in | -128.93, 139.4 | APE8-rot-in | 303.92 | APE67-dihe-in | -73.59, -33.97 | -48.22, -44.35 | APE12-dist-in | 11.474 | APE11-dist-in | 11.6748 | APE10-dist-in | 6.1732 | APE9-dist-in | 3.6061 | None | None | None | XRAY | 2.8 | 0.223 | 0.237 | A | 415.0 | 389.0 | 4 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5kkt | 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 | 5KKTB | Q13464 | 6 | 402 | 1354.0 | 6U2:60501 | Type1.5_Front | Inactive | DFGin | 6.3063 | 13.5992 | BLAminus | -130.02, -177.11 | 50.1, 80.15 | -95.96, 18.23 | 299.48, 98.02 | -62.02, -10.47 | in-in | in | 8.8895 | Saltbr-in | 2.7797 | HRD-in | -68.38, -47.41 | 71.48, -14.73 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0727 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -110.61, 86.79 | APE9-dihe-na | -63.17, 97.09 | APE8-dihe-out | 74.12, 110.85 | APE8-rot-in | 316.95 | APE67-dihe-in | -53.36, -37.05 | -91.57, 10.0 | APE12-dist-in | 8.4324 | APE11-dist-in | 11.3574 | APE10-dist-out | 10.1986 | APE9-dist-out | 9.4216 | None | None | None | XRAY | 2.8 | 0.223 | 0.237 | B | 415.0 | 393.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5kkt | 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 |
|---|