| 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 | ROCK1 | ROCK1_HUMAN | 3V8SA | Q13464 | 8 | 402 | 1354.0 | 0HD:501 | Type1 | Inactive | DFGin | 6.1436 | 13.3651 | BLAminus | -131.47, 179.47 | 60.6, 71.6 | -93.5, 10.81 | 305.1, 96.77 | -59.12, -15.76 | in-in | in | 8.8039 | Saltbr-in | 2.7424 | HRD-in | -66.59, -53.55 | 76.27, -10.47 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9866 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -127.49, 177.7 | APE9-dihe-na | 96.83, -154.47 | APE8-dihe-in | -129.74, 143.67 | APE8-rot-out | 110.69 | APE67-dihe-in | -64.74, -31.71 | -49.91, -44.47 | APE12-dist-in | 10.402 | APE11-dist-in | 11.7757 | APE10-dist-in | 5.941 | APE9-dist-in | 3.727 | None | None | None | XRAY | 2.286 | 0.188 | 0.236 | A | 410.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3v8s | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 1.0 | 260.0 | 260.0 | 215 | 216 | 217 | 219 | 221 | 105 | 124 | 128 | 195 | 197 | 196 | 198.0 | 260 | 244 | 239 | 238 | 237 | 236 | 235 | 234 | 233 | 154 | Rho-associated protein kinase 1 |
| AGC | ROCK1 | ROCK1_HUMAN | 3V8SB | Q13464 | 6 | 402 | 1354.0 | 0HD:501 | Type1 | Inactive | DFGin | 6.3126 | 13.6485 | BLAminus | -129.24, 179.74 | 58.53, 76.73 | -94.51, 12.02 | 303.63, 98.77 | -47.53, -31.19 | in-in | in | 8.8257 | Saltbr-in | 3.2786 | HRD-in | -71.19, -49.28 | 79.11, -22.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9755 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiio | APE10-dihe-na | -114.6, -175.49 | APE9-dihe-na | -78.94, -129.14 | APE8-dihe-in | -42.78, 130.14 | APE8-rot-in | 309.49 | APE67-dihe-in | -49.83, -43.8 | -72.71, -13.77 | APE12-dist-out | 6.6758 | APE11-dist-in | 10.1936 | APE10-dist-in | 7.0626 | APE9-dist-out | 9.4072 | None | None | None | XRAY | 2.286 | 0.188 | 0.236 | B | 410.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3v8s | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 1.0 | 260.0 | 260.0 | 215 | 216 | 217 | 219 | 221 | 105 | 124 | 128 | 195 | 197 | 196 | 198.0 | 260 | 244 | 239 | 238 | 237 | 236 | 235 | 234 | 233 | 154 | Rho-associated protein kinase 1 |
| AGC | ROCK1 | ROCK1_HUMAN | 3V8SC | Q13464 | 8 | 402 | 1354.0 | 0HD:501 | Type1 | Inactive | DFGin | 6.2295 | 13.4802 | BLAminus | -131.94, 178.46 | 61.35, 70.46 | -92.71, 10.99 | 301.74, 97.6 | -57.75, -20.03 | in-in | in | 8.7886 | Saltbr-in | 2.919 | HRD-in | -68.58, -53.3 | 74.86, -10.72 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9314 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -128.32, 170.47 | APE9-dihe-na | 100.83, -158.56 | APE8-dihe-in | -121.14, 144.0 | APE8-rot-out | 104.69 | APE67-dihe-in | -65.81, -32.6 | -49.38, -42.89 | APE12-dist-in | 10.3225 | APE11-dist-in | 11.7298 | APE10-dist-in | 5.8769 | APE9-dist-in | 3.799 | None | None | None | XRAY | 2.286 | 0.188 | 0.236 | C | 410.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3v8s | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 1.0 | 260.0 | 260.0 | 215 | 216 | 217 | 219 | 221 | 105 | 124 | 128 | 195 | 197 | 196 | 198.0 | 260 | 244 | 239 | 238 | 237 | 236 | 235 | 234 | 233 | 154 | Rho-associated protein kinase 1 |
| AGC | ROCK1 | ROCK1_HUMAN | 3V8SD | Q13464 | 6 | 402 | 1354.0 | 0HD:501 | Type1 | Inactive | DFGin | 6.2745 | 13.6806 | BLAminus | -134.51, 177.57 | 58.27, 76.4 | -93.55, 11.58 | 303.68, 94.09 | -46.72, -30.67 | in-in | in | 8.8866 | Saltbr-in | 3.2291 | HRD-in | -77.06, -45.91 | 77.83, -23.23 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8603 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioo | APE10-dihe-na | -92.44, 115.48 | APE9-dihe-na | -69.73, -64.71 | APE8-dihe-in | -105.78, 124.29 | APE8-rot-in | 283.0 | APE67-dihe-in | -50.65, -45.32 | -72.98, -15.17 | APE12-dist-in | 7.3821 | APE11-dist-in | 10.1944 | APE10-dist-out | 9.1232 | APE9-dist-out | 9.3523 | None | None | None | XRAY | 2.286 | 0.188 | 0.236 | D | 410.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3v8s | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 1.0 | 260.0 | 260.0 | 215 | 216 | 217 | 219 | 221 | 105 | 124 | 128 | 195 | 197 | 196 | 198.0 | 260 | 244 | 239 | 238 | 237 | 236 | 235 | 234 | 233 | 154 | Rho-associated protein kinase 1 |
| 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 | ROCK1 | ROCK1_HUMAN | 3V8SA | Q13464 | 8 | 402 | 1354.0 | 0HD:501 | Type1 | Inactive | DFGin | 6.1436 | 13.3651 | BLAminus | -131.47, 179.47 | 60.6, 71.6 | -93.5, 10.81 | 305.1, 96.77 | -59.12, -15.76 | in-in | in | 8.8039 | Saltbr-in | 2.7424 | HRD-in | -66.59, -53.55 | 76.27, -10.47 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9866 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -127.49, 177.7 | APE9-dihe-na | 96.83, -154.47 | APE8-dihe-in | -129.74, 143.67 | APE8-rot-out | 110.69 | APE67-dihe-in | -64.74, -31.71 | -49.91, -44.47 | APE12-dist-in | 10.402 | APE11-dist-in | 11.7757 | APE10-dist-in | 5.941 | APE9-dist-in | 3.727 | None | None | None | XRAY | 2.286 | 0.188 | 0.236 | A | 410.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3v8s | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 1.0 | 260.0 | 260.0 | 215 | 216 | 217 | 219 | 221 | 105 | 124 | 128 | 195 | 197 | 196 | 198.0 | 260 | 244 | 239 | 238 | 237 | 236 | 235 | 234 | 233 | 154 | Rho-associated protein kinase 1 |
| AGC | ROCK1 | ROCK1_HUMAN | 3V8SB | Q13464 | 6 | 402 | 1354.0 | 0HD:501 | Type1 | Inactive | DFGin | 6.3126 | 13.6485 | BLAminus | -129.24, 179.74 | 58.53, 76.73 | -94.51, 12.02 | 303.63, 98.77 | -47.53, -31.19 | in-in | in | 8.8257 | Saltbr-in | 3.2786 | HRD-in | -71.19, -49.28 | 79.11, -22.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9755 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiio | APE10-dihe-na | -114.6, -175.49 | APE9-dihe-na | -78.94, -129.14 | APE8-dihe-in | -42.78, 130.14 | APE8-rot-in | 309.49 | APE67-dihe-in | -49.83, -43.8 | -72.71, -13.77 | APE12-dist-out | 6.6758 | APE11-dist-in | 10.1936 | APE10-dist-in | 7.0626 | APE9-dist-out | 9.4072 | None | None | None | XRAY | 2.286 | 0.188 | 0.236 | B | 410.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3v8s | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 1.0 | 260.0 | 260.0 | 215 | 216 | 217 | 219 | 221 | 105 | 124 | 128 | 195 | 197 | 196 | 198.0 | 260 | 244 | 239 | 238 | 237 | 236 | 235 | 234 | 233 | 154 | Rho-associated protein kinase 1 |
| AGC | ROCK1 | ROCK1_HUMAN | 3V8SC | Q13464 | 8 | 402 | 1354.0 | 0HD:501 | Type1 | Inactive | DFGin | 6.2295 | 13.4802 | BLAminus | -131.94, 178.46 | 61.35, 70.46 | -92.71, 10.99 | 301.74, 97.6 | -57.75, -20.03 | in-in | in | 8.7886 | Saltbr-in | 2.919 | HRD-in | -68.58, -53.3 | 74.86, -10.72 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9314 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -128.32, 170.47 | APE9-dihe-na | 100.83, -158.56 | APE8-dihe-in | -121.14, 144.0 | APE8-rot-out | 104.69 | APE67-dihe-in | -65.81, -32.6 | -49.38, -42.89 | APE12-dist-in | 10.3225 | APE11-dist-in | 11.7298 | APE10-dist-in | 5.8769 | APE9-dist-in | 3.799 | None | None | None | XRAY | 2.286 | 0.188 | 0.236 | C | 410.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3v8s | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 1.0 | 260.0 | 260.0 | 215 | 216 | 217 | 219 | 221 | 105 | 124 | 128 | 195 | 197 | 196 | 198.0 | 260 | 244 | 239 | 238 | 237 | 236 | 235 | 234 | 233 | 154 | Rho-associated protein kinase 1 |
| AGC | ROCK1 | ROCK1_HUMAN | 3V8SD | Q13464 | 6 | 402 | 1354.0 | 0HD:501 | Type1 | Inactive | DFGin | 6.2745 | 13.6806 | BLAminus | -134.51, 177.57 | 58.27, 76.4 | -93.55, 11.58 | 303.68, 94.09 | -46.72, -30.67 | in-in | in | 8.8866 | Saltbr-in | 3.2291 | HRD-in | -77.06, -45.91 | 77.83, -23.23 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8603 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioo | APE10-dihe-na | -92.44, 115.48 | APE9-dihe-na | -69.73, -64.71 | APE8-dihe-in | -105.78, 124.29 | APE8-rot-in | 283.0 | APE67-dihe-in | -50.65, -45.32 | -72.98, -15.17 | APE12-dist-in | 7.3821 | APE11-dist-in | 10.1944 | APE10-dist-out | 9.1232 | APE9-dist-out | 9.3523 | None | None | None | XRAY | 2.286 | 0.188 | 0.236 | D | 410.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3v8s | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.4e-94 | 320.8 | 1.0 | 260.0 | 260.0 | 215 | 216 | 217 | 219 | 221 | 105 | 124 | 128 | 195 | 197 | 196 | 198.0 | 260 | 244 | 239 | 238 | 237 | 236 | 235 | 234 | 233 | 154 | Rho-associated protein kinase 1 |
| 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 |
|---|