| 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 | ROCK2 | ROCK2_HUMAN | 6ED6A | O75116 | 27 | 415 | 1388.0 | J0P:501 | Type1 | Active | DFGin | 6.4785 | 13.3609 | BLAminus | -145.19, 179.01 | 60.98, 63.29 | -87.07, 23.13 | 303.43, 107.85 | -60.41, -48.86 | in-in | in | 8.5317 | Saltbr-in | 2.7436 | HRD-in | -56.44, -54.27 | 71.45, -18.59 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.4387 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.8, 126.02 | APE9-dihe-na | 153.03, -163.23 | APE8-dihe-in | -114.06, 130.07 | APE8-rot-in | 328.57 | APE67-dihe-in | -55.65, -29.13 | -25.97, -72.15 | APE12-dist-in | 10.492 | APE11-dist-in | 11.3819 | APE10-dist-in | 5.5534 | APE9-dist-in | 3.9599 | None | None | None | XRAY | 2.86 | 0.206 | 0.247 | A | 415.0 | 378.0 | 4 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6ed6 | AGC_ROCK2_HUMAN | AGC | 2.6e-93 | 317.9 | 1.0 | 260.0 | 260.0 | 231 | 232 | 233 | 235 | 237 | 121 | 140 | 144 | 211 | 213 | 212 | 214.0 | 276 | 260 | 255 | 254 | 253 | 252 | 251 | 250 | 249 | 170 | Rho-associated protein kinase 2 |
| AGC | ROCK2 | ROCK2_HUMAN | 6ED6B | O75116 | 28 | 416 | 1388.0 | J0P:501 | Type1.5_Front | Inactive | DFGin | 6.3994 | 13.1828 | BLAminus | -141.53, 178.3 | 54.07, 109.38 | -133.99, 38.6 | 302.74, 88.83 | -73.72, -23.58 | in-in | in | 8.5374 | Saltbr-in | 2.8145 | HRD-in | -63.89, -44.38 | 75.08, -45.12 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.5735 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -112.55 | APE8-dihe-in | -56.82, 118.75 | APE8-rot-in | 295.99 | APE67-dihe-in | -40.0, -36.43 | -89.99, -12.73 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.0585 | None | None | None | XRAY | 2.86 | 0.206 | 0.247 | B | 415.0 | 364.0 | 18 | 29 | 17 | 12 | [[92, 354]] | 1.0 | 6ed6 | AGC_ROCK2_HUMAN | AGC | 2.6e-93 | 317.9 | 1.0 | 260.0 | 260.0 | 231 | 232 | 233 | 235 | 237 | 121 | 140 | 144 | 211 | 213 | 212 | 214.0 | 276 | 260 | 255 | 254 | 253 | 252 | 251 | 250 | 249 | 170 | Rho-associated protein kinase 2 |
| 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 | ROCK2 | ROCK2_HUMAN | 6ED6A | O75116 | 27 | 415 | 1388.0 | J0P:501 | Type1 | Active | DFGin | 6.4785 | 13.3609 | BLAminus | -145.19, 179.01 | 60.98, 63.29 | -87.07, 23.13 | 303.43, 107.85 | -60.41, -48.86 | in-in | in | 8.5317 | Saltbr-in | 2.7436 | HRD-in | -56.44, -54.27 | 71.45, -18.59 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.4387 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.8, 126.02 | APE9-dihe-na | 153.03, -163.23 | APE8-dihe-in | -114.06, 130.07 | APE8-rot-in | 328.57 | APE67-dihe-in | -55.65, -29.13 | -25.97, -72.15 | APE12-dist-in | 10.492 | APE11-dist-in | 11.3819 | APE10-dist-in | 5.5534 | APE9-dist-in | 3.9599 | None | None | None | XRAY | 2.86 | 0.206 | 0.247 | A | 415.0 | 378.0 | 4 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6ed6 | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.6e-93 | 317.9 | 1.0 | 260.0 | 260.0 | 231 | 232 | 233 | 235 | 237 | 121 | 140 | 144 | 211 | 213 | 212 | 214.0 | 276 | 260 | 255 | 254 | 253 | 252 | 251 | 250 | 249 | 170 | Rho-associated protein kinase 2 |
| AGC | ROCK2 | ROCK2_HUMAN | 6ED6B | O75116 | 28 | 416 | 1388.0 | J0P:501 | Type1.5_Front | Inactive | DFGin | 6.3994 | 13.1828 | BLAminus | -141.53, 178.3 | 54.07, 109.38 | -133.99, 38.6 | 302.74, 88.83 | -73.72, -23.58 | in-in | in | 8.5374 | Saltbr-in | 2.8145 | HRD-in | -63.89, -44.38 | 75.08, -45.12 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.5735 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -112.55 | APE8-dihe-in | -56.82, 118.75 | APE8-rot-in | 295.99 | APE67-dihe-in | -40.0, -36.43 | -89.99, -12.73 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.0585 | None | None | None | XRAY | 2.86 | 0.206 | 0.247 | B | 415.0 | 364.0 | 18 | 29 | 17 | 12 | [[92, 354]] | 1.0 | 6ed6 | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.6e-93 | 317.9 | 1.0 | 260.0 | 260.0 | 231 | 232 | 233 | 235 | 237 | 121 | 140 | 144 | 211 | 213 | 212 | 214.0 | 276 | 260 | 255 | 254 | 253 | 252 | 251 | 250 | 249 | 170 | Rho-associated protein kinase 2 |
| 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 |
|---|