| 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 | AF-O75116-K1A | O75116 | 84 | 362 | 1388.0 | No_ligand | No_ligand | Active | DFGin | 5.8685 | 12.9149 | BLAminus | -136.99, 177.96 | 53.48, 73.71 | -86.19, 14.62 | 307.2, 104.5 | -65.86, -9.9 | in-in | in | 8.7312 | Saltbr-in | 2.6513 | HRD-in | -85.23, -49.89 | 67.76, 1.46 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9592 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.28, 135.21 | APE9-dihe-na | 135.69, 171.46 | APE8-dihe-in | -70.75, 130.03 | APE8-rot-in | 300.74 | APE67-dihe-in | -77.08, -19.45 | -51.29, -40.8 | APE12-dist-in | 10.4853 | APE11-dist-in | 11.5675 | APE10-dist-in | 5.7555 | APE9-dist-in | 3.6338 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 279.0 | 279.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | AF-O75116-K1 | AGC_ROCK2_HUMAN | AGC | 6.9e-94 | 319.7 | 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 | AF-O75116-K3A | O75116 | 84 | 362 | 1388.0 | No_ligand | No_ligand | Active | DFGin | 5.8197 | 13.4492 | BLAminus | -136.65, 179.19 | 54.41, 68.61 | -80.36, 13.1 | 307.71, 103.33 | -65.49, -10.01 | in-in | in | 8.6735 | Saltbr-in | 2.629 | HRD-in | -85.92, -46.0 | 66.47, 0.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9361 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.35, 142.1 | APE9-dihe-na | 129.39, 171.44 | APE8-dihe-in | -69.98, 129.02 | APE8-rot-in | 286.32 | APE67-dihe-in | -70.68, -17.36 | -43.25, -51.09 | APE12-dist-in | 10.6353 | APE11-dist-in | 11.9406 | APE10-dist-in | 6.0099 | APE9-dist-in | 3.2627 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 279.0 | 279.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | AF-O75116-K3 | AGC_ROCK2_HUMAN | AGC | 6.9e-94 | 319.7 | 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 | AF-O75116-K1A | O75116 | 84 | 362 | 1388.0 | No_ligand | No_ligand | Active | DFGin | 5.8685 | 12.9149 | BLAminus | -136.99, 177.96 | 53.48, 73.71 | -86.19, 14.62 | 307.2, 104.5 | -65.86, -9.9 | in-in | in | 8.7312 | Saltbr-in | 2.6513 | HRD-in | -85.23, -49.89 | 67.76, 1.46 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9592 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.28, 135.21 | APE9-dihe-na | 135.69, 171.46 | APE8-dihe-in | -70.75, 130.03 | APE8-rot-in | 300.74 | APE67-dihe-in | -77.08, -19.45 | -51.29, -40.8 | APE12-dist-in | 10.4853 | APE11-dist-in | 11.5675 | APE10-dist-in | 5.7555 | APE9-dist-in | 3.6338 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 279.0 | 279.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | AF-O75116-K1 | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 6.9e-94 | 319.7 | 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 | AF-O75116-K3A | O75116 | 84 | 362 | 1388.0 | No_ligand | No_ligand | Active | DFGin | 5.8197 | 13.4492 | BLAminus | -136.65, 179.19 | 54.41, 68.61 | -80.36, 13.1 | 307.71, 103.33 | -65.49, -10.01 | in-in | in | 8.6735 | Saltbr-in | 2.629 | HRD-in | -85.92, -46.0 | 66.47, 0.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9361 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.35, 142.1 | APE9-dihe-na | 129.39, 171.44 | APE8-dihe-in | -69.98, 129.02 | APE8-rot-in | 286.32 | APE67-dihe-in | -70.68, -17.36 | -43.25, -51.09 | APE12-dist-in | 10.6353 | APE11-dist-in | 11.9406 | APE10-dist-in | 6.0099 | APE9-dist-in | 3.2627 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 279.0 | 279.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | AF-O75116-K3 | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 6.9e-94 | 319.7 | 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 |
|---|