| 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 | 3TV7A | Q13464 | 9 | 402 | 1354.0 | 07Q:1 | Type1 | Inactive | DFGin | 6.1406 | 13.4622 | BLAminus | -126.35, -171.09 | 45.97, 69.47 | -88.78, 8.65 | 301.41, 82.65 | -54.6, -19.4 | in-in | in | 8.7491 | Saltbr-in | 2.5658 | HRD-out | -65.46, -38.18 | 49.28, -142.26 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7702 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iiio | APE10-dihe-na | -117.48, 157.83 | APE9-dihe-na | -63.36, -178.67 | APE8-dihe-out | 60.06, 84.52 | APE8-rot-out | 58.98 | APE67-dihe-in | -61.64, -35.43 | -43.45, -41.95 | APE12-dist-in | 11.2393 | APE11-dist-in | 11.898 | APE10-dist-in | 6.0244 | APE9-dist-out | 8.3764 | None | None | None | XRAY | 2.75 | 0.205 | 0.253 | A | 410.0 | 394.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3tv7 | 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 | 3TV7B | Q13464 | 6 | 402 | 1354.0 | 07Q:2 | Type1 | Inactive | DFGin | 5.8574 | 13.2 | BLAminus | -126.47, -172.51 | 48.84, 75.23 | -91.42, 11.14 | 311.64, 99.6 | -51.14, -22.86 | in-in | in | 8.6012 | Saltbr-in | 2.8316 | HRD-in | -67.51, -48.56 | 77.38, -23.22 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.796 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oioo | APE10-dihe-na | -129.19, 116.98 | APE9-dihe-na | -63.15, 117.97 | APE8-dihe-out | 61.18, 138.65 | APE8-rot-out | 58.98 | APE67-dihe-in | -71.45, -48.06 | -97.86, 39.1 | APE12-dist-out | 6.2956 | APE11-dist-in | 10.3719 | APE10-dist-out | 8.7345 | APE9-dist-out | 9.9928 | None | None | None | XRAY | 2.75 | 0.205 | 0.253 | B | 410.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3tv7 | 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 | 3TV7C | Q13464 | 9 | 402 | 1354.0 | 07Q:3 | Type1 | Inactive | DFGin | 5.9954 | 13.0575 | BLAminus | -112.83, -173.21 | 51.38, 70.56 | -91.09, 10.07 | 312.0, 83.09 | -58.15, -16.34 | in-in | in | 8.6464 | Saltbr-in | 2.6029 | HRD-out | -60.51, -40.04 | 50.0, -144.78 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8678 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iiio | APE10-dihe-na | -114.03, 172.25 | APE9-dihe-na | -61.19, 179.57 | APE8-dihe-out | 57.96, 81.04 | APE8-rot-in | 298.99 | APE67-dihe-in | -60.89, -34.02 | -49.59, -35.58 | APE12-dist-in | 10.4112 | APE11-dist-in | 11.8316 | APE10-dist-in | 5.904 | APE9-dist-out | 7.9512 | None | None | None | XRAY | 2.75 | 0.205 | 0.253 | C | 410.0 | 394.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3tv7 | 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 | 3TV7D | Q13464 | 6 | 402 | 1354.0 | 07Q:4 | Type1 | Inactive | DFGin | 6.0098 | 13.3878 | BLAminus | -132.56, -173.08 | 50.96, 76.18 | -95.18, 10.41 | 310.62, 100.91 | -52.21, -21.09 | in-in | in | 8.6226 | Saltbr-in | 2.9696 | HRD-in | -71.89, -52.06 | 76.5, -19.27 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7466 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oioo | APE10-dihe-na | -125.31, 112.9 | APE9-dihe-na | -69.4, 112.01 | APE8-dihe-out | 62.52, 139.7 | APE8-rot-in | 314.53 | APE67-dihe-in | -45.86, -52.51 | -76.31, -19.81 | APE12-dist-out | 5.5561 | APE11-dist-in | 10.0551 | APE10-dist-out | 9.4481 | APE9-dist-out | 9.1763 | None | None | None | XRAY | 2.75 | 0.205 | 0.253 | D | 410.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3tv7 | 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 | 3TV7A | Q13464 | 9 | 402 | 1354.0 | 07Q:1 | Type1 | Inactive | DFGin | 6.1406 | 13.4622 | BLAminus | -126.35, -171.09 | 45.97, 69.47 | -88.78, 8.65 | 301.41, 82.65 | -54.6, -19.4 | in-in | in | 8.7491 | Saltbr-in | 2.5658 | HRD-out | -65.46, -38.18 | 49.28, -142.26 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7702 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iiio | APE10-dihe-na | -117.48, 157.83 | APE9-dihe-na | -63.36, -178.67 | APE8-dihe-out | 60.06, 84.52 | APE8-rot-out | 58.98 | APE67-dihe-in | -61.64, -35.43 | -43.45, -41.95 | APE12-dist-in | 11.2393 | APE11-dist-in | 11.898 | APE10-dist-in | 6.0244 | APE9-dist-out | 8.3764 | None | None | None | XRAY | 2.75 | 0.205 | 0.253 | A | 410.0 | 394.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3tv7 | 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 | 3TV7B | Q13464 | 6 | 402 | 1354.0 | 07Q:2 | Type1 | Inactive | DFGin | 5.8574 | 13.2 | BLAminus | -126.47, -172.51 | 48.84, 75.23 | -91.42, 11.14 | 311.64, 99.6 | -51.14, -22.86 | in-in | in | 8.6012 | Saltbr-in | 2.8316 | HRD-in | -67.51, -48.56 | 77.38, -23.22 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.796 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oioo | APE10-dihe-na | -129.19, 116.98 | APE9-dihe-na | -63.15, 117.97 | APE8-dihe-out | 61.18, 138.65 | APE8-rot-out | 58.98 | APE67-dihe-in | -71.45, -48.06 | -97.86, 39.1 | APE12-dist-out | 6.2956 | APE11-dist-in | 10.3719 | APE10-dist-out | 8.7345 | APE9-dist-out | 9.9928 | None | None | None | XRAY | 2.75 | 0.205 | 0.253 | B | 410.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3tv7 | 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 | 3TV7C | Q13464 | 9 | 402 | 1354.0 | 07Q:3 | Type1 | Inactive | DFGin | 5.9954 | 13.0575 | BLAminus | -112.83, -173.21 | 51.38, 70.56 | -91.09, 10.07 | 312.0, 83.09 | -58.15, -16.34 | in-in | in | 8.6464 | Saltbr-in | 2.6029 | HRD-out | -60.51, -40.04 | 50.0, -144.78 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8678 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iiio | APE10-dihe-na | -114.03, 172.25 | APE9-dihe-na | -61.19, 179.57 | APE8-dihe-out | 57.96, 81.04 | APE8-rot-in | 298.99 | APE67-dihe-in | -60.89, -34.02 | -49.59, -35.58 | APE12-dist-in | 10.4112 | APE11-dist-in | 11.8316 | APE10-dist-in | 5.904 | APE9-dist-out | 7.9512 | None | None | None | XRAY | 2.75 | 0.205 | 0.253 | C | 410.0 | 394.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3tv7 | 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 | 3TV7D | Q13464 | 6 | 402 | 1354.0 | 07Q:4 | Type1 | Inactive | DFGin | 6.0098 | 13.3878 | BLAminus | -132.56, -173.08 | 50.96, 76.18 | -95.18, 10.41 | 310.62, 100.91 | -52.21, -21.09 | in-in | in | 8.6226 | Saltbr-in | 2.9696 | HRD-in | -71.89, -52.06 | 76.5, -19.27 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7466 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oioo | APE10-dihe-na | -125.31, 112.9 | APE9-dihe-na | -69.4, 112.01 | APE8-dihe-out | 62.52, 139.7 | APE8-rot-in | 314.53 | APE67-dihe-in | -45.86, -52.51 | -76.31, -19.81 | APE12-dist-out | 5.5561 | APE11-dist-in | 10.0551 | APE10-dist-out | 9.4481 | APE9-dist-out | 9.1763 | None | None | None | XRAY | 2.75 | 0.205 | 0.253 | D | 410.0 | 397.0 | 0 | 29 | 29 | 0 | [[76, 338]] | 1.0 | 3tv7 | 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 |
|---|