| 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 | 8GDSA | O75116 | 24 | 417 | 1388.0 | Z8O:501 | Type1 | Inactive | DFGout | 14.304 | 9.3951 | BBAminus | -113.16, 143.54 | -102.55, 117.32 | -102.58, 29.06 | 302.77, 145.94 | 110.64, 5.22 | out-out | out | 15.0791 | Saltbr-out | 13.9655 | HRD-in | -62.18, -48.44 | 83.82, -31.03 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8932 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooo | APE10-dihe-na | -67.31, -53.4 | APE9-dihe-na | 75.32, -130.78 | APE8-dihe-in | -73.21, 128.78 | APE8-rot-in | 285.89 | APE67-dihe-in | -37.36, -36.42 | -96.83, -9.21 | APE12-dist-none | 999.0 | APE11-dist-out | 7.2565 | APE10-dist-out | 9.8509 | APE9-dist-out | 9.4071 | None | None | None | XRAY | 2.71 | 0.218 | 0.248 | A | 396.0 | 384.0 | 6 | 29 | 27 | 2 | [[92, 354]] | 1.0 | 8gds | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 8GDSB | O75116 | 24 | 417 | 1388.0 | Z8O:501 | Type1 | Inactive | DFGout | 14.3904 | 9.5098 | BBAminus | -111.96, 142.39 | -102.56, 118.41 | -101.87, 25.6 | 301.02, 146.14 | 115.08, 0.13 | out-none | out | 14.9022 | Saltbr-none | 999.0 | HRD-in | -65.01, -47.29 | 71.28, -3.57 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.8585 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooo | APE10-dihe-na | -134.25, 147.87 | APE9-dihe-na | -136.74, -95.28 | APE8-dihe-in | -67.87, 115.24 | APE8-rot-in | 324.97 | APE67-dihe-in | -41.62, -33.28 | -83.99, -16.64 | APE12-dist-none | 999.0 | APE11-dist-out | 5.672 | APE10-dist-out | 9.8535 | APE9-dist-out | 8.9466 | None | None | None | XRAY | 2.71 | 0.218 | 0.248 | B | 396.0 | 384.0 | 6 | 29 | 26 | 3 | [[92, 354]] | 1.0 | 8gds | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 8GDSC | O75116 | 24 | 417 | 1388.0 | Z8O:501 | Type1 | Inactive | DFGout | 14.4465 | 9.4014 | BBAminus | -113.01, 140.92 | -102.45, 117.72 | -102.11, 26.89 | 300.53, 146.18 | 115.19, 0.27 | out-none | out | 14.9991 | Saltbr-none | 999.0 | HRD-in | -64.56, -46.59 | 70.99, -5.08 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.8871 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -88.19 | APE8-dihe-in | -78.06, 129.88 | APE8-rot-out | 60.88 | APE67-dihe-in | -45.28, -34.19 | -66.72, -39.76 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 6.4794 | None | None | None | XRAY | 2.71 | 0.218 | 0.248 | C | 396.0 | 385.0 | 5 | 29 | 25 | 4 | [[92, 354]] | 1.0 | 8gds | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 8GDSD | O75116 | 24 | 417 | 1388.0 | Z8O:501 | Type1.5_Front | Inactive | DFGout | 14.5096 | 9.5483 | BBAminus | -103.86, 141.89 | -103.51, 117.86 | -102.63, 25.16 | 306.33, 142.76 | 108.24, 20.62 | out-none | out | 14.9691 | Saltbr-none | 999.0 | HRD-in | -60.5, -48.74 | 68.07, -4.31 | none-in-none | SNCnin | in-none | ActLoopNT-in | 2.9124 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnii | APE10-dihe-na | 999.0, 89.84 | APE9-dihe-na | 170.11, -172.34 | APE8-dihe-in | -98.69, 124.47 | APE8-rot-in | 291.85 | APE67-dihe-in | -51.67, -33.01 | -41.58, -52.55 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 6.1219 | APE9-dist-in | 4.5167 | None | None | None | XRAY | 2.71 | 0.218 | 0.248 | D | 396.0 | 379.0 | 10 | 29 | 24 | 5 | [[92, 354]] | 1.0 | 8gds | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 8GDSA | O75116 | 24 | 417 | 1388.0 | Z8O:501 | Type1 | Inactive | DFGout | 14.304 | 9.3951 | BBAminus | -113.16, 143.54 | -102.55, 117.32 | -102.58, 29.06 | 302.77, 145.94 | 110.64, 5.22 | out-out | out | 15.0791 | Saltbr-out | 13.9655 | HRD-in | -62.18, -48.44 | 83.82, -31.03 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8932 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooo | APE10-dihe-na | -67.31, -53.4 | APE9-dihe-na | 75.32, -130.78 | APE8-dihe-in | -73.21, 128.78 | APE8-rot-in | 285.89 | APE67-dihe-in | -37.36, -36.42 | -96.83, -9.21 | APE12-dist-none | 999.0 | APE11-dist-out | 7.2565 | APE10-dist-out | 9.8509 | APE9-dist-out | 9.4071 | None | None | None | XRAY | 2.71 | 0.218 | 0.248 | A | 396.0 | 384.0 | 6 | 29 | 27 | 2 | [[92, 354]] | 1.0 | 8gds | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 8GDSB | O75116 | 24 | 417 | 1388.0 | Z8O:501 | Type1 | Inactive | DFGout | 14.3904 | 9.5098 | BBAminus | -111.96, 142.39 | -102.56, 118.41 | -101.87, 25.6 | 301.02, 146.14 | 115.08, 0.13 | out-none | out | 14.9022 | Saltbr-none | 999.0 | HRD-in | -65.01, -47.29 | 71.28, -3.57 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.8585 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooo | APE10-dihe-na | -134.25, 147.87 | APE9-dihe-na | -136.74, -95.28 | APE8-dihe-in | -67.87, 115.24 | APE8-rot-in | 324.97 | APE67-dihe-in | -41.62, -33.28 | -83.99, -16.64 | APE12-dist-none | 999.0 | APE11-dist-out | 5.672 | APE10-dist-out | 9.8535 | APE9-dist-out | 8.9466 | None | None | None | XRAY | 2.71 | 0.218 | 0.248 | B | 396.0 | 384.0 | 6 | 29 | 26 | 3 | [[92, 354]] | 1.0 | 8gds | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 8GDSC | O75116 | 24 | 417 | 1388.0 | Z8O:501 | Type1 | Inactive | DFGout | 14.4465 | 9.4014 | BBAminus | -113.01, 140.92 | -102.45, 117.72 | -102.11, 26.89 | 300.53, 146.18 | 115.19, 0.27 | out-none | out | 14.9991 | Saltbr-none | 999.0 | HRD-in | -64.56, -46.59 | 70.99, -5.08 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.8871 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -88.19 | APE8-dihe-in | -78.06, 129.88 | APE8-rot-out | 60.88 | APE67-dihe-in | -45.28, -34.19 | -66.72, -39.76 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 6.4794 | None | None | None | XRAY | 2.71 | 0.218 | 0.248 | C | 396.0 | 385.0 | 5 | 29 | 25 | 4 | [[92, 354]] | 1.0 | 8gds | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 8GDSD | O75116 | 24 | 417 | 1388.0 | Z8O:501 | Type1.5_Front | Inactive | DFGout | 14.5096 | 9.5483 | BBAminus | -103.86, 141.89 | -103.51, 117.86 | -102.63, 25.16 | 306.33, 142.76 | 108.24, 20.62 | out-none | out | 14.9691 | Saltbr-none | 999.0 | HRD-in | -60.5, -48.74 | 68.07, -4.31 | none-in-none | SNCnin | in-none | ActLoopNT-in | 2.9124 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnii | APE10-dihe-na | 999.0, 89.84 | APE9-dihe-na | 170.11, -172.34 | APE8-dihe-in | -98.69, 124.47 | APE8-rot-in | 291.85 | APE67-dihe-in | -51.67, -33.01 | -41.58, -52.55 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 6.1219 | APE9-dist-in | 4.5167 | None | None | None | XRAY | 2.71 | 0.218 | 0.248 | D | 396.0 | 379.0 | 10 | 29 | 24 | 5 | [[92, 354]] | 1.0 | 8gds | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.3e-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 |
|---|