| 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 | 8X8XA | O75116 | 32 | 417 | 1388.0 | YDW:501 | Type1 | Active | DFGin | 6.3582 | 13.6185 | BLAminus | -145.81, -178.89 | 53.82, 76.54 | -97.16, 31.49 | 303.8, 87.87 | -66.69, -28.82 | in-in | in | 8.9565 | Saltbr-in | 2.6653 | HRD-in | -74.39, -58.56 | 77.08, -1.86 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9686 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.16, 162.89 | APE9-dihe-na | 114.79, -140.41 | APE8-dihe-in | -127.19, 138.75 | APE8-rot-in | 307.63 | APE67-dihe-in | -63.05, -28.14 | -61.81, -39.49 | APE12-dist-in | 10.3965 | APE11-dist-in | 11.7049 | APE10-dist-in | 5.8573 | APE9-dist-in | 3.7996 | None | None | None | XRAY | 2.6 | 0.201 | 0.253 | A | 391.0 | 380.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 8x8x | 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 | 8X8XB | O75116 | 29 | 417 | 1388.0 | YDW:501 | Type1 | Inactive | DFGin | 6.4728 | 13.5414 | BLAminus | -147.7, 178.94 | 53.55, 85.93 | -102.48, 38.62 | 301.82, 90.81 | -61.05, -30.52 | in-in | in | 8.7733 | Saltbr-in | 2.8799 | HRD-in | -76.73, -58.01 | 80.73, -14.45 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0423 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oiio | APE10-dihe-na | -122.98, 163.07 | APE9-dihe-na | -99.31, -128.88 | APE8-dihe-in | -61.96, 135.88 | APE8-rot-out | 70.76 | APE67-dihe-in | -50.09, -36.4 | -79.46, -6.55 | APE12-dist-out | 6.7308 | APE11-dist-in | 8.3441 | APE10-dist-in | 6.7439 | APE9-dist-out | 9.3326 | None | None | None | XRAY | 2.6 | 0.201 | 0.253 | B | 391.0 | 374.0 | 9 | 29 | 20 | 9 | [[92, 354]] | 1.0 | 8x8x | 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 | 8X8XA | O75116 | 32 | 417 | 1388.0 | YDW:501 | Type1 | Active | DFGin | 6.3582 | 13.6185 | BLAminus | -145.81, -178.89 | 53.82, 76.54 | -97.16, 31.49 | 303.8, 87.87 | -66.69, -28.82 | in-in | in | 8.9565 | Saltbr-in | 2.6653 | HRD-in | -74.39, -58.56 | 77.08, -1.86 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9686 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.16, 162.89 | APE9-dihe-na | 114.79, -140.41 | APE8-dihe-in | -127.19, 138.75 | APE8-rot-in | 307.63 | APE67-dihe-in | -63.05, -28.14 | -61.81, -39.49 | APE12-dist-in | 10.3965 | APE11-dist-in | 11.7049 | APE10-dist-in | 5.8573 | APE9-dist-in | 3.7996 | None | None | None | XRAY | 2.6 | 0.201 | 0.253 | A | 391.0 | 380.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 8x8x | 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 | 8X8XB | O75116 | 29 | 417 | 1388.0 | YDW:501 | Type1 | Inactive | DFGin | 6.4728 | 13.5414 | BLAminus | -147.7, 178.94 | 53.55, 85.93 | -102.48, 38.62 | 301.82, 90.81 | -61.05, -30.52 | in-in | in | 8.7733 | Saltbr-in | 2.8799 | HRD-in | -76.73, -58.01 | 80.73, -14.45 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0423 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oiio | APE10-dihe-na | -122.98, 163.07 | APE9-dihe-na | -99.31, -128.88 | APE8-dihe-in | -61.96, 135.88 | APE8-rot-out | 70.76 | APE67-dihe-in | -50.09, -36.4 | -79.46, -6.55 | APE12-dist-out | 6.7308 | APE11-dist-in | 8.3441 | APE10-dist-in | 6.7439 | APE9-dist-out | 9.3326 | None | None | None | XRAY | 2.6 | 0.201 | 0.253 | B | 391.0 | 374.0 | 9 | 29 | 20 | 9 | [[92, 354]] | 1.0 | 8x8x | 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 |
|---|