| 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 | 5WNGA | Q13464 | 7 | 401 | 1354.0 | B4Y:60900 | Type1 | Inactive | DFGin | 5.9773 | 13.5094 | ABAminus | -104.78, -47.26 | -102.37, 133.32 | -128.78, 19.38 | 307.6, 97.01 | -57.06, -32.21 | in-in | in | 8.8894 | Saltbr-in | 2.7864 | HRD-in | -66.26, -51.49 | 72.53, -8.5 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0648 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -132.53, 147.93 | APE9-dihe-na | 135.56, -145.58 | APE8-dihe-in | -132.84, 135.01 | APE8-rot-out | 33.77 | APE67-dihe-in | -86.48, -37.64 | -34.31, -39.64 | APE12-dist-in | 11.0608 | APE11-dist-in | 11.3702 | APE10-dist-in | 5.558 | APE9-dist-in | 3.7032 | None | None | None | XRAY | 2.9 | 0.231 | 0.25 | A | 415.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wng | 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 | 5WNGB | Q13464 | 6 | 402 | 1354.0 | B4Y:60900 | Type1 | Inactive | DFGin | 6.1152 | 13.6737 | ABAminus | -116.66, -65.65 | -74.59, 116.95 | -121.4, 25.51 | 300.62, 111.42 | -66.75, -32.14 | in-in | in | 8.6304 | Saltbr-in | 2.8156 | HRD-in | -60.46, -50.75 | 69.34, -5.89 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9735 | ActLoopCT-out | nonTYR | APEdihe_aanoo | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -49.6 | APE8-rot-out | 38.45 | APE67-dihe-out | -117.81, -1.71 | -74.02, 169.26 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.9 | 0.231 | 0.25 | B | 415.0 | 364.0 | 23 | 29 | 22 | 7 | [[76, 338]] | 1.0 | 5wng | 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 | 5WNGC | Q13464 | 6 | 402 | 1354.0 | B4Y:60900 | Type1 | Inactive | DFGin | 6.2504 | 13.6991 | ABAminus | -112.13, -65.71 | -71.21, 131.58 | -134.73, 15.31 | 296.94, 115.81 | -61.29, -33.48 | in-in | in | 8.7452 | Saltbr-in | 2.9023 | HRD-in | -54.07, -49.11 | 68.03, -4.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2537 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -134.49, 151.91 | APE9-dihe-na | 125.81, -139.62 | APE8-dihe-in | -129.94, 140.76 | APE8-rot-out | 193.11 | APE67-dihe-in | -90.91, -38.38 | -54.59, -19.55 | APE12-dist-in | 12.0255 | APE11-dist-in | 11.3311 | APE10-dist-in | 5.5058 | APE9-dist-in | 3.7805 | None | None | None | XRAY | 2.9 | 0.231 | 0.25 | C | 415.0 | 385.0 | 9 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wng | 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 | 5WNGD | Q13464 | 7 | 402 | 1354.0 | B4Y:60900 | Type1 | Inactive | DFGin | 5.9664 | 13.6482 | ABAminus | -112.91, -68.51 | -77.11, 128.39 | -125.32, 34.85 | 304.06, 106.91 | -57.33, -48.7 | in-in | in | 8.5818 | Saltbr-in | 2.8349 | HRD-in | -67.41, -43.54 | 61.42, -5.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0591 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.21, 150.67 | APE9-dihe-na | 129.52, -151.03 | APE8-dihe-in | -111.91, 139.64 | APE8-rot-in | 301.32 | APE67-dihe-in | -86.26, -34.21 | -63.2, -20.63 | APE12-dist-in | 10.285 | APE11-dist-in | 11.0376 | APE10-dist-in | 5.1987 | APE9-dist-in | 3.7829 | None | None | None | XRAY | 2.9 | 0.231 | 0.25 | D | 415.0 | 396.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wng | 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 | 5WNGA | Q13464 | 7 | 401 | 1354.0 | B4Y:60900 | Type1 | Inactive | DFGin | 5.9773 | 13.5094 | ABAminus | -104.78, -47.26 | -102.37, 133.32 | -128.78, 19.38 | 307.6, 97.01 | -57.06, -32.21 | in-in | in | 8.8894 | Saltbr-in | 2.7864 | HRD-in | -66.26, -51.49 | 72.53, -8.5 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0648 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -132.53, 147.93 | APE9-dihe-na | 135.56, -145.58 | APE8-dihe-in | -132.84, 135.01 | APE8-rot-out | 33.77 | APE67-dihe-in | -86.48, -37.64 | -34.31, -39.64 | APE12-dist-in | 11.0608 | APE11-dist-in | 11.3702 | APE10-dist-in | 5.558 | APE9-dist-in | 3.7032 | None | None | None | XRAY | 2.9 | 0.231 | 0.25 | A | 415.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wng | 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 | 5WNGB | Q13464 | 6 | 402 | 1354.0 | B4Y:60900 | Type1 | Inactive | DFGin | 6.1152 | 13.6737 | ABAminus | -116.66, -65.65 | -74.59, 116.95 | -121.4, 25.51 | 300.62, 111.42 | -66.75, -32.14 | in-in | in | 8.6304 | Saltbr-in | 2.8156 | HRD-in | -60.46, -50.75 | 69.34, -5.89 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9735 | ActLoopCT-out | nonTYR | APEdihe_aanoo | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -49.6 | APE8-rot-out | 38.45 | APE67-dihe-out | -117.81, -1.71 | -74.02, 169.26 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.9 | 0.231 | 0.25 | B | 415.0 | 364.0 | 23 | 29 | 22 | 7 | [[76, 338]] | 1.0 | 5wng | 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 | 5WNGC | Q13464 | 6 | 402 | 1354.0 | B4Y:60900 | Type1 | Inactive | DFGin | 6.2504 | 13.6991 | ABAminus | -112.13, -65.71 | -71.21, 131.58 | -134.73, 15.31 | 296.94, 115.81 | -61.29, -33.48 | in-in | in | 8.7452 | Saltbr-in | 2.9023 | HRD-in | -54.07, -49.11 | 68.03, -4.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2537 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -134.49, 151.91 | APE9-dihe-na | 125.81, -139.62 | APE8-dihe-in | -129.94, 140.76 | APE8-rot-out | 193.11 | APE67-dihe-in | -90.91, -38.38 | -54.59, -19.55 | APE12-dist-in | 12.0255 | APE11-dist-in | 11.3311 | APE10-dist-in | 5.5058 | APE9-dist-in | 3.7805 | None | None | None | XRAY | 2.9 | 0.231 | 0.25 | C | 415.0 | 385.0 | 9 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wng | 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 | 5WNGD | Q13464 | 7 | 402 | 1354.0 | B4Y:60900 | Type1 | Inactive | DFGin | 5.9664 | 13.6482 | ABAminus | -112.91, -68.51 | -77.11, 128.39 | -125.32, 34.85 | 304.06, 106.91 | -57.33, -48.7 | in-in | in | 8.5818 | Saltbr-in | 2.8349 | HRD-in | -67.41, -43.54 | 61.42, -5.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0591 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.21, 150.67 | APE9-dihe-na | 129.52, -151.03 | APE8-dihe-in | -111.91, 139.64 | APE8-rot-in | 301.32 | APE67-dihe-in | -86.26, -34.21 | -63.2, -20.63 | APE12-dist-in | 10.285 | APE11-dist-in | 11.0376 | APE10-dist-in | 5.1987 | APE9-dist-in | 3.7829 | None | None | None | XRAY | 2.9 | 0.231 | 0.25 | D | 415.0 | 396.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wng | 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 |
|---|