| 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 | 5WNHA | Q13464 | 6 | 401 | 1354.0 | B5G:60900 | Type1 | Inactive | DFGin | 6.2538 | 14.0842 | ABAminus | -126.85, -43.1 | -92.25, 105.27 | -105.51, 23.43 | 302.78, 98.53 | -79.59, -3.09 | in-in | in | 9.245 | Saltbr-in | 2.7983 | HRD-in | -66.14, -40.5 | 59.01, 4.04 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.055 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.68, 140.18 | APE9-dihe-na | 145.92, -147.99 | APE8-dihe-in | -117.87, 133.55 | APE8-rot-in | 336.48 | APE67-dihe-in | -88.84, -32.74 | -46.05, -33.53 | APE12-dist-in | 10.9974 | APE11-dist-in | 11.6452 | APE10-dist-in | 5.8257 | APE9-dist-in | 3.5691 | None | None | None | XRAY | 3.1 | 0.227 | 0.234 | A | 415.0 | 394.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wnh | AGC_ROCK1_HUMAN | AGC | 3.5e-94 | 320.7 | 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 | 5WNHB | Q13464 | 6 | 402 | 1354.0 | B5G:60900 | Type1 | Inactive | DFGin | 6.1436 | 13.7802 | ABAminus | -129.47, -54.81 | -79.68, 115.69 | -121.99, 26.51 | 302.73, 109.7 | -73.56, -13.31 | in-in | in | 8.7049 | Saltbr-in | 2.8214 | HRD-in | -59.34, -49.1 | 69.57, -2.06 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.304 | ActLoopCT-out | nonTYR | APEdihe_aanio | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -48.34 | APE8-rot-in | 317.54 | APE67-dihe-out | -81.13, -17.85 | -72.96, 161.08 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.1 | 0.227 | 0.234 | B | 415.0 | 364.0 | 27 | 29 | 22 | 7 | [[76, 338]] | 1.0 | 5wnh | AGC_ROCK1_HUMAN | AGC | 3.5e-94 | 320.7 | 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 | 5WNHC | Q13464 | 6 | 402 | 1354.0 | B5G:60900 | Type1 | Inactive | DFGin | 6.1935 | 13.4672 | ABAminus | -129.17, -51.51 | -79.99, 119.08 | -126.12, 27.06 | 305.6, 119.19 | -74.43, -19.79 | in-in | in | 8.7563 | Saltbr-in | 2.8158 | HRD-in | -53.22, -44.09 | 64.75, -1.56 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.3339 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -102.33, 164.22 | APE9-dihe-na | 88.42, -167.51 | APE8-dihe-in | -97.64, 151.48 | APE8-rot-out | 44.44 | APE67-dihe-in | -84.21, -19.91 | -62.02, -38.65 | APE12-dist-in | 10.4087 | APE11-dist-in | 11.5939 | APE10-dist-in | 5.5129 | APE9-dist-in | 4.1566 | None | None | None | XRAY | 3.1 | 0.227 | 0.234 | C | 415.0 | 386.0 | 9 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wnh | AGC_ROCK1_HUMAN | AGC | 3.5e-94 | 320.7 | 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 | 5WNHD | Q13464 | 6 | 402 | 1354.0 | B5G:60900 | Type1 | Inactive | DFGin | 5.9608 | 13.8468 | ABAminus | -129.74, -51.1 | -87.04, 108.6 | -110.61, 24.81 | 306.94, 102.01 | -68.9, -6.61 | in-in | in | 8.7893 | Saltbr-in | 2.8147 | HRD-in | -59.28, -47.58 | 67.24, -1.66 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.2611 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.57, 150.52 | APE9-dihe-na | 117.79, -157.18 | APE8-dihe-in | -100.56, 138.22 | APE8-rot-in | 307.58 | APE67-dihe-in | -71.46, -24.96 | -63.42, -32.46 | APE12-dist-in | 10.6366 | APE11-dist-in | 11.1822 | APE10-dist-in | 5.3254 | APE9-dist-in | 4.1717 | None | None | None | XRAY | 3.1 | 0.227 | 0.234 | D | 415.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wnh | AGC_ROCK1_HUMAN | AGC | 3.5e-94 | 320.7 | 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 | 5WNHA | Q13464 | 6 | 401 | 1354.0 | B5G:60900 | Type1 | Inactive | DFGin | 6.2538 | 14.0842 | ABAminus | -126.85, -43.1 | -92.25, 105.27 | -105.51, 23.43 | 302.78, 98.53 | -79.59, -3.09 | in-in | in | 9.245 | Saltbr-in | 2.7983 | HRD-in | -66.14, -40.5 | 59.01, 4.04 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.055 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.68, 140.18 | APE9-dihe-na | 145.92, -147.99 | APE8-dihe-in | -117.87, 133.55 | APE8-rot-in | 336.48 | APE67-dihe-in | -88.84, -32.74 | -46.05, -33.53 | APE12-dist-in | 10.9974 | APE11-dist-in | 11.6452 | APE10-dist-in | 5.8257 | APE9-dist-in | 3.5691 | None | None | None | XRAY | 3.1 | 0.227 | 0.234 | A | 415.0 | 394.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wnh | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.5e-94 | 320.7 | 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 | 5WNHB | Q13464 | 6 | 402 | 1354.0 | B5G:60900 | Type1 | Inactive | DFGin | 6.1436 | 13.7802 | ABAminus | -129.47, -54.81 | -79.68, 115.69 | -121.99, 26.51 | 302.73, 109.7 | -73.56, -13.31 | in-in | in | 8.7049 | Saltbr-in | 2.8214 | HRD-in | -59.34, -49.1 | 69.57, -2.06 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.304 | ActLoopCT-out | nonTYR | APEdihe_aanio | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -48.34 | APE8-rot-in | 317.54 | APE67-dihe-out | -81.13, -17.85 | -72.96, 161.08 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.1 | 0.227 | 0.234 | B | 415.0 | 364.0 | 27 | 29 | 22 | 7 | [[76, 338]] | 1.0 | 5wnh | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.5e-94 | 320.7 | 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 | 5WNHC | Q13464 | 6 | 402 | 1354.0 | B5G:60900 | Type1 | Inactive | DFGin | 6.1935 | 13.4672 | ABAminus | -129.17, -51.51 | -79.99, 119.08 | -126.12, 27.06 | 305.6, 119.19 | -74.43, -19.79 | in-in | in | 8.7563 | Saltbr-in | 2.8158 | HRD-in | -53.22, -44.09 | 64.75, -1.56 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.3339 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -102.33, 164.22 | APE9-dihe-na | 88.42, -167.51 | APE8-dihe-in | -97.64, 151.48 | APE8-rot-out | 44.44 | APE67-dihe-in | -84.21, -19.91 | -62.02, -38.65 | APE12-dist-in | 10.4087 | APE11-dist-in | 11.5939 | APE10-dist-in | 5.5129 | APE9-dist-in | 4.1566 | None | None | None | XRAY | 3.1 | 0.227 | 0.234 | C | 415.0 | 386.0 | 9 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wnh | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.5e-94 | 320.7 | 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 | 5WNHD | Q13464 | 6 | 402 | 1354.0 | B5G:60900 | Type1 | Inactive | DFGin | 5.9608 | 13.8468 | ABAminus | -129.74, -51.1 | -87.04, 108.6 | -110.61, 24.81 | 306.94, 102.01 | -68.9, -6.61 | in-in | in | 8.7893 | Saltbr-in | 2.8147 | HRD-in | -59.28, -47.58 | 67.24, -1.66 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.2611 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.57, 150.52 | APE9-dihe-na | 117.79, -157.18 | APE8-dihe-in | -100.56, 138.22 | APE8-rot-in | 307.58 | APE67-dihe-in | -71.46, -24.96 | -63.42, -32.46 | APE12-dist-in | 10.6366 | APE11-dist-in | 11.1822 | APE10-dist-in | 5.3254 | APE9-dist-in | 4.1717 | None | None | None | XRAY | 3.1 | 0.227 | 0.234 | D | 415.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wnh | Homo sapiens | AGC_ROCK1_HUMAN | AGC | 3.5e-94 | 320.7 | 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 |
|---|