| 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 | 5WNFA | Q13464 | 7 | 401 | 1354.0 | B4V:60501 | Type1 | Inactive | DFGin | 6.037 | 13.8193 | ABAminus | -112.9, -18.08 | -125.42, 134.15 | -136.13, 27.61 | 308.44, 98.66 | -67.13, -15.25 | in-in | in | 9.2481 | Saltbr-in | 2.8496 | HRD-in | -71.62, -55.08 | 69.7, 8.34 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9829 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -130.82, 159.62 | APE9-dihe-na | 114.62, -153.36 | APE8-dihe-in | -121.99, 142.9 | APE8-rot-out | 46.24 | APE67-dihe-in | -85.9, -24.36 | -50.23, -33.75 | APE12-dist-in | 10.8456 | APE11-dist-in | 11.24 | APE10-dist-in | 5.3801 | APE9-dist-in | 3.4882 | None | None | None | XRAY | 2.45 | 0.237 | 0.247 | A | 415.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wnf | 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 | 5WNFB | Q13464 | 6 | 402 | 1354.0 | B4V:60900 | Type1 | Inactive | DFGin | 6.0096 | 13.809 | ABAminus | -112.8, -19.42 | -121.66, 133.79 | -135.75, 27.87 | 308.04, 98.76 | -66.99, -15.52 | in-in | in | 9.2034 | Saltbr-in | 2.8294 | HRD-in | -56.58, -57.45 | 66.78, 9.49 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0197 | 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, -30.62 | APE8-rot-out | 185.84 | APE67-dihe-out | -96.25, -5.58 | -76.73, 157.96 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.45 | 0.237 | 0.247 | B | 415.0 | 357.0 | 30 | 29 | 22 | 7 | [[76, 338]] | 1.0 | 5wnf | 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 | 5WNFC | Q13464 | 6 | 402 | 1354.0 | B4V:60900 | Type1 | Inactive | DFGin | 6.0529 | 13.7343 | ABAminus | -112.34, -18.7 | -124.86, 134.18 | -135.55, 28.39 | 308.28, 99.0 | -66.12, -17.35 | in-in | in | 9.1673 | Saltbr-in | 2.825 | HRD-in | -54.29, -57.6 | 67.49, 9.1 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1133 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -125.13, 155.5 | APE9-dihe-na | 100.24, 173.54 | APE8-dihe-in | -65.25, 143.72 | APE8-rot-out | 166.74 | APE67-dihe-in | -84.72, -32.31 | -63.88, -30.83 | APE12-dist-in | 10.8664 | APE11-dist-in | 11.263 | APE10-dist-in | 5.3953 | APE9-dist-in | 3.7108 | None | None | None | XRAY | 2.45 | 0.237 | 0.247 | C | 415.0 | 384.0 | 9 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wnf | 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 | 5WNFD | Q13464 | 7 | 402 | 1354.0 | B4V:60900 | Type1 | Inactive | DFGin | 5.998 | 13.798 | ABAminus | -116.97, -16.71 | -124.97, 134.65 | -136.46, 28.19 | 307.91, 98.81 | -65.17, -16.17 | in-in | in | 9.2716 | Saltbr-in | 2.8528 | HRD-in | -65.28, -52.76 | 63.38, 9.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1289 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.89, 153.13 | APE9-dihe-na | 122.32, -150.94 | APE8-dihe-in | -121.83, 134.39 | APE8-rot-in | 304.55 | APE67-dihe-in | -67.21, -32.35 | -51.49, -41.1 | APE12-dist-in | 10.448 | APE11-dist-in | 11.4061 | APE10-dist-in | 5.4979 | APE9-dist-in | 3.7705 | None | None | None | XRAY | 2.45 | 0.237 | 0.247 | D | 415.0 | 396.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wnf | 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 | 5WNFA | Q13464 | 7 | 401 | 1354.0 | B4V:60501 | Type1 | Inactive | DFGin | 6.037 | 13.8193 | ABAminus | -112.9, -18.08 | -125.42, 134.15 | -136.13, 27.61 | 308.44, 98.66 | -67.13, -15.25 | in-in | in | 9.2481 | Saltbr-in | 2.8496 | HRD-in | -71.62, -55.08 | 69.7, 8.34 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9829 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -130.82, 159.62 | APE9-dihe-na | 114.62, -153.36 | APE8-dihe-in | -121.99, 142.9 | APE8-rot-out | 46.24 | APE67-dihe-in | -85.9, -24.36 | -50.23, -33.75 | APE12-dist-in | 10.8456 | APE11-dist-in | 11.24 | APE10-dist-in | 5.3801 | APE9-dist-in | 3.4882 | None | None | None | XRAY | 2.45 | 0.237 | 0.247 | A | 415.0 | 395.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wnf | 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 | 5WNFB | Q13464 | 6 | 402 | 1354.0 | B4V:60900 | Type1 | Inactive | DFGin | 6.0096 | 13.809 | ABAminus | -112.8, -19.42 | -121.66, 133.79 | -135.75, 27.87 | 308.04, 98.76 | -66.99, -15.52 | in-in | in | 9.2034 | Saltbr-in | 2.8294 | HRD-in | -56.58, -57.45 | 66.78, 9.49 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0197 | 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, -30.62 | APE8-rot-out | 185.84 | APE67-dihe-out | -96.25, -5.58 | -76.73, 157.96 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.45 | 0.237 | 0.247 | B | 415.0 | 357.0 | 30 | 29 | 22 | 7 | [[76, 338]] | 1.0 | 5wnf | 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 | 5WNFC | Q13464 | 6 | 402 | 1354.0 | B4V:60900 | Type1 | Inactive | DFGin | 6.0529 | 13.7343 | ABAminus | -112.34, -18.7 | -124.86, 134.18 | -135.55, 28.39 | 308.28, 99.0 | -66.12, -17.35 | in-in | in | 9.1673 | Saltbr-in | 2.825 | HRD-in | -54.29, -57.6 | 67.49, 9.1 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1133 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -125.13, 155.5 | APE9-dihe-na | 100.24, 173.54 | APE8-dihe-in | -65.25, 143.72 | APE8-rot-out | 166.74 | APE67-dihe-in | -84.72, -32.31 | -63.88, -30.83 | APE12-dist-in | 10.8664 | APE11-dist-in | 11.263 | APE10-dist-in | 5.3953 | APE9-dist-in | 3.7108 | None | None | None | XRAY | 2.45 | 0.237 | 0.247 | C | 415.0 | 384.0 | 9 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wnf | 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 | 5WNFD | Q13464 | 7 | 402 | 1354.0 | B4V:60900 | Type1 | Inactive | DFGin | 5.998 | 13.798 | ABAminus | -116.97, -16.71 | -124.97, 134.65 | -136.46, 28.19 | 307.91, 98.81 | -65.17, -16.17 | in-in | in | 9.2716 | Saltbr-in | 2.8528 | HRD-in | -65.28, -52.76 | 63.38, 9.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1289 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.89, 153.13 | APE9-dihe-na | 122.32, -150.94 | APE8-dihe-in | -121.83, 134.39 | APE8-rot-in | 304.55 | APE67-dihe-in | -67.21, -32.35 | -51.49, -41.1 | APE12-dist-in | 10.448 | APE11-dist-in | 11.4061 | APE10-dist-in | 5.4979 | APE9-dist-in | 3.7705 | None | None | None | XRAY | 2.45 | 0.237 | 0.247 | D | 415.0 | 396.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 5wnf | 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 |
|---|