| 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 | 4L6QA | O75116 | 27 | 417 | 1388.0 | 1WU:501 | Type1 | Inactive | DFGin | 6.3025 | 13.5702 | ABAminus | -116.27, -49.25 | -107.45, 128.66 | -126.56, 33.88 | 304.03, 88.55 | -72.5, -17.13 | in-in | in | 8.8823 | Saltbr-in | 2.672 | HRD-in | -73.76, -46.68 | 73.56, -20.06 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9796 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -127.31, 131.57 | APE9-dihe-na | 145.53, -153.1 | APE8-dihe-in | -136.66, 121.88 | APE8-rot-out | 181.69 | APE67-dihe-in | -54.43, -25.79 | -36.79, -58.64 | APE12-dist-in | 10.6283 | APE11-dist-in | 11.4732 | APE10-dist-in | 5.6957 | APE9-dist-in | 3.9166 | None | None | None | XRAY | 2.79 | 0.224 | 0.281 | A | 402.0 | 388.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 4l6q | AGC_ROCK2_HUMAN | AGC | 2.4e-93 | 318.0 | 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 | 4L6QB | O75116 | 27 | 417 | 1388.0 | 1WU:501 | Type1 | Inactive | DFGin | 6.2412 | 13.4208 | ABAminus | -107.91, -62.87 | -88.93, 144.15 | -141.39, 24.98 | 298.39, 99.37 | -69.99, -11.39 | in-out | in | 8.7899 | Saltbr-out | 4.2152 | HRD-in | -77.55, -55.12 | 77.74, -6.89 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.1737 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.98, 112.76 | APE9-dihe-na | 161.13, -165.93 | APE8-dihe-in | -114.84, 120.25 | APE8-rot-in | 312.46 | APE67-dihe-in | -62.07, -22.46 | -26.22, -64.13 | APE12-dist-in | 10.2175 | APE11-dist-in | 11.4445 | APE10-dist-in | 5.753 | APE9-dist-in | 3.7448 | None | None | None | XRAY | 2.79 | 0.224 | 0.281 | B | 402.0 | 388.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 4l6q | AGC_ROCK2_HUMAN | AGC | 2.4e-93 | 318.0 | 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 | 4L6QA | O75116 | 27 | 417 | 1388.0 | 1WU:501 | Type1 | Inactive | DFGin | 6.3025 | 13.5702 | ABAminus | -116.27, -49.25 | -107.45, 128.66 | -126.56, 33.88 | 304.03, 88.55 | -72.5, -17.13 | in-in | in | 8.8823 | Saltbr-in | 2.672 | HRD-in | -73.76, -46.68 | 73.56, -20.06 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9796 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -127.31, 131.57 | APE9-dihe-na | 145.53, -153.1 | APE8-dihe-in | -136.66, 121.88 | APE8-rot-out | 181.69 | APE67-dihe-in | -54.43, -25.79 | -36.79, -58.64 | APE12-dist-in | 10.6283 | APE11-dist-in | 11.4732 | APE10-dist-in | 5.6957 | APE9-dist-in | 3.9166 | None | None | None | XRAY | 2.79 | 0.224 | 0.281 | A | 402.0 | 388.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 4l6q | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.4e-93 | 318.0 | 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 | 4L6QB | O75116 | 27 | 417 | 1388.0 | 1WU:501 | Type1 | Inactive | DFGin | 6.2412 | 13.4208 | ABAminus | -107.91, -62.87 | -88.93, 144.15 | -141.39, 24.98 | 298.39, 99.37 | -69.99, -11.39 | in-out | in | 8.7899 | Saltbr-out | 4.2152 | HRD-in | -77.55, -55.12 | 77.74, -6.89 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.1737 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.98, 112.76 | APE9-dihe-na | 161.13, -165.93 | APE8-dihe-in | -114.84, 120.25 | APE8-rot-in | 312.46 | APE67-dihe-in | -62.07, -22.46 | -26.22, -64.13 | APE12-dist-in | 10.2175 | APE11-dist-in | 11.4445 | APE10-dist-in | 5.753 | APE9-dist-in | 3.7448 | None | None | None | XRAY | 2.79 | 0.224 | 0.281 | B | 402.0 | 388.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 4l6q | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.4e-93 | 318.0 | 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 |
|---|