| 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 | 8X8YB | O75116 | 29 | 417 | 1388.0 | YEA:501 | Type1 | Inactive | DFGin | 6.1449 | 13.0959 | ABAminus | -143.12, -33.94 | -106.09, 93.06 | -90.35, 19.08 | 311.7, 96.3 | -43.48, -33.82 | in-in | in | 8.2745 | Saltbr-in | 2.7029 | HRD-out | -97.55, 96.59 | -73.9, -11.34 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.6759 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iiio | APE10-dihe-na | -120.75, 154.61 | APE9-dihe-na | -77.81, -131.7 | APE8-dihe-in | -64.67, 142.4 | APE8-rot-in | 325.66 | APE67-dihe-in | -41.68, -27.46 | -83.12, -16.83 | APE12-dist-in | 7.4742 | APE11-dist-in | 8.0672 | APE10-dist-in | 6.6236 | APE9-dist-out | 9.5857 | None | None | None | XRAY | 3.2 | 0.185 | 0.243 | B | 391.0 | 381.0 | 2 | 29 | 27 | 2 | [[92, 354]] | 1.0 | 8x8y | AGC_ROCK2_HUMAN | AGC | 2.2e-93 | 318.1 | 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 | 8X8YA | O75116 | 31 | 417 | 1388.0 | YEA:501 | Type1 | Inactive | DFGin | 6.1307 | 13.1234 | BLAminus | -148.21, -169.14 | 44.6, 71.48 | -91.3, 16.21 | 306.78, 89.53 | -42.97, -27.25 | in-in | in | 8.4017 | Saltbr-in | 2.8276 | HRD-out | -91.42, 96.9 | -78.93, 1.22 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9643 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -122.94, 153.9 | APE9-dihe-na | 130.12, -144.45 | APE8-dihe-in | -138.71, 148.43 | APE8-rot-out | 78.56 | APE67-dihe-in | -57.28, -22.24 | -69.59, -38.91 | APE12-dist-in | 10.8544 | APE11-dist-in | 11.8292 | APE10-dist-in | 5.9972 | APE9-dist-in | 4.0519 | None | None | None | XRAY | 3.2 | 0.185 | 0.243 | A | 391.0 | 378.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 8x8y | AGC_ROCK2_HUMAN | AGC | 2.2e-93 | 318.1 | 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 | 8X8YB | O75116 | 29 | 417 | 1388.0 | YEA:501 | Type1 | Inactive | DFGin | 6.1449 | 13.0959 | ABAminus | -143.12, -33.94 | -106.09, 93.06 | -90.35, 19.08 | 311.7, 96.3 | -43.48, -33.82 | in-in | in | 8.2745 | Saltbr-in | 2.7029 | HRD-out | -97.55, 96.59 | -73.9, -11.34 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.6759 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iiio | APE10-dihe-na | -120.75, 154.61 | APE9-dihe-na | -77.81, -131.7 | APE8-dihe-in | -64.67, 142.4 | APE8-rot-in | 325.66 | APE67-dihe-in | -41.68, -27.46 | -83.12, -16.83 | APE12-dist-in | 7.4742 | APE11-dist-in | 8.0672 | APE10-dist-in | 6.6236 | APE9-dist-out | 9.5857 | None | None | None | XRAY | 3.2 | 0.185 | 0.243 | B | 391.0 | 381.0 | 2 | 29 | 27 | 2 | [[92, 354]] | 1.0 | 8x8y | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.2e-93 | 318.1 | 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 | 8X8YA | O75116 | 31 | 417 | 1388.0 | YEA:501 | Type1 | Inactive | DFGin | 6.1307 | 13.1234 | BLAminus | -148.21, -169.14 | 44.6, 71.48 | -91.3, 16.21 | 306.78, 89.53 | -42.97, -27.25 | in-in | in | 8.4017 | Saltbr-in | 2.8276 | HRD-out | -91.42, 96.9 | -78.93, 1.22 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9643 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -122.94, 153.9 | APE9-dihe-na | 130.12, -144.45 | APE8-dihe-in | -138.71, 148.43 | APE8-rot-out | 78.56 | APE67-dihe-in | -57.28, -22.24 | -69.59, -38.91 | APE12-dist-in | 10.8544 | APE11-dist-in | 11.8292 | APE10-dist-in | 5.9972 | APE9-dist-in | 4.0519 | None | None | None | XRAY | 3.2 | 0.185 | 0.243 | A | 391.0 | 378.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 8x8y | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.2e-93 | 318.1 | 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 |
|---|