| 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 | ROCK2 | ROCK2_HUMAN | 9EP8A | O75116 | 22 | 417 | 1388.0 | A1H6L:60501 | Type1 | Inactive | DFGin | 6.4927 | 13.4745 | BLAminus | -142.27, 178.16 | 56.28, 74.06 | -91.93, 27.01 | 300.49, 98.73 | -80.86, -4.32 | in-in | in | 8.4189 | Saltbr-in | 2.607 | HRD-in | -71.36, -50.57 | 66.41, 13.03 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2177 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | -143.44, 141.63 | APE9-dihe-na | -72.89, -103.54 | APE8-dihe-in | -98.04, 136.1 | APE8-rot-out | 54.66 | APE67-dihe-in | -51.08, -38.13 | -83.55, -17.15 | APE12-dist-in | 8.7803 | APE11-dist-in | 8.9625 | APE10-dist-out | 9.2237 | APE9-dist-out | 8.8182 | None | None | None | XRAY | 2.63 | 0.203 | 0.242 | A | 402.0 | 388.0 | 2 | 29 | 27 | 2 | [[92, 354]] | 1.0 | 9ep8 | AGC_ROCK2_HUMAN | AGC | 2.4e-93 | 318.0 | 1.0 | 260.0 | 260.0 | 231 | 232 | 233 | 235 | 237 | 121 | 140 | 144 | 211 | 213 | 212 | 214.0 | 276 | 260 | 255 | 254 | 253 | 252 | 251 | 250 | 249 | 170 | Rho-associated protein kinase 2 |
| AGC | ROCK2 | ROCK2_HUMAN | 9EP8B | O75116 | 24 | 417 | 1388.0 | A1H6L:60501 | Type1 | Inactive | DFGin | 6.7218 | 13.6046 | BLAminus | -148.7, 178.5 | 52.93, 72.5 | -93.23, 28.49 | 302.13, 99.55 | -80.04, -2.24 | in-in | in | 8.3809 | Saltbr-in | 2.629 | HRD-in | -69.68, -48.04 | 67.21, 12.72 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2414 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 138.96 | APE8-rot-out | 55.95 | APE67-dihe-in | -50.85, -37.73 | -82.2, -18.64 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.63 | 0.203 | 0.242 | B | 402.0 | 373.0 | 16 | 29 | 17 | 12 | [[92, 354]] | 1.0 | 9ep8 | AGC_ROCK2_HUMAN | AGC | 2.4e-93 | 318.0 | 1.0 | 260.0 | 260.0 | 231 | 232 | 233 | 235 | 237 | 121 | 140 | 144 | 211 | 213 | 212 | 214.0 | 276 | 260 | 255 | 254 | 253 | 252 | 251 | 250 | 249 | 170 | Rho-associated protein kinase 2 |
| AGC | ROCK2 | ROCK2_HUMAN | 9EP8C | O75116 | 24 | 417 | 1388.0 | A1H6L:60501 | Type1 | Inactive | DFGin | 6.7875 | 13.6967 | BLAminus | -142.98, 175.13 | 56.66, 74.33 | -94.91, 33.23 | 302.61, 100.99 | -80.72, -3.65 | in-in | in | 8.3304 | Saltbr-in | 2.6284 | HRD-in | -69.86, -50.69 | 67.71, 13.64 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2481 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 138.91 | APE8-rot-out | 55.45 | APE67-dihe-in | -48.54, -38.52 | -80.78, -17.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.63 | 0.203 | 0.242 | C | 402.0 | 375.0 | 15 | 29 | 17 | 12 | [[92, 354]] | 1.0 | 9ep8 | AGC_ROCK2_HUMAN | AGC | 2.4e-93 | 318.0 | 1.0 | 260.0 | 260.0 | 231 | 232 | 233 | 235 | 237 | 121 | 140 | 144 | 211 | 213 | 212 | 214.0 | 276 | 260 | 255 | 254 | 253 | 252 | 251 | 250 | 249 | 170 | Rho-associated protein kinase 2 |
| AGC | ROCK2 | ROCK2_HUMAN | 9EP8D | O75116 | 22 | 417 | 1388.0 | A1H6L:60501 | Type1 | Inactive | DFGin | 6.533 | 13.5154 | BLAminus | -145.65, 177.68 | 55.35, 73.4 | -93.14, 26.37 | 302.82, 99.26 | -82.32, -4.28 | in-in | in | 8.4987 | Saltbr-in | 2.6122 | HRD-in | -71.04, -48.63 | 67.32, 7.83 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2521 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | -134.28, 155.4 | APE9-dihe-na | -71.41, -102.58 | APE8-dihe-in | -87.31, 137.03 | APE8-rot-out | 55.19 | APE67-dihe-in | -49.79, -38.66 | -81.91, -22.13 | APE12-dist-in | 8.0012 | APE11-dist-in | 8.6831 | APE10-dist-out | 8.1259 | APE9-dist-out | 6.719 | None | None | None | XRAY | 2.63 | 0.203 | 0.242 | D | 402.0 | 386.0 | 5 | 29 | 27 | 2 | [[92, 354]] | 1.0 | 9ep8 | AGC_ROCK2_HUMAN | AGC | 2.4e-93 | 318.0 | 1.0 | 260.0 | 260.0 | 231 | 232 | 233 | 235 | 237 | 121 | 140 | 144 | 211 | 213 | 212 | 214.0 | 276 | 260 | 255 | 254 | 253 | 252 | 251 | 250 | 249 | 170 | Rho-associated protein kinase 2 |
| 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 | ROCK2 | ROCK2_HUMAN | 9EP8A | O75116 | 22 | 417 | 1388.0 | A1H6L:60501 | Type1 | Inactive | DFGin | 6.4927 | 13.4745 | BLAminus | -142.27, 178.16 | 56.28, 74.06 | -91.93, 27.01 | 300.49, 98.73 | -80.86, -4.32 | in-in | in | 8.4189 | Saltbr-in | 2.607 | HRD-in | -71.36, -50.57 | 66.41, 13.03 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2177 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | -143.44, 141.63 | APE9-dihe-na | -72.89, -103.54 | APE8-dihe-in | -98.04, 136.1 | APE8-rot-out | 54.66 | APE67-dihe-in | -51.08, -38.13 | -83.55, -17.15 | APE12-dist-in | 8.7803 | APE11-dist-in | 8.9625 | APE10-dist-out | 9.2237 | APE9-dist-out | 8.8182 | None | None | None | XRAY | 2.63 | 0.203 | 0.242 | A | 402.0 | 388.0 | 2 | 29 | 27 | 2 | [[92, 354]] | 1.0 | 9ep8 | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.4e-93 | 318.0 | 1.0 | 260.0 | 260.0 | 231 | 232 | 233 | 235 | 237 | 121 | 140 | 144 | 211 | 213 | 212 | 214.0 | 276 | 260 | 255 | 254 | 253 | 252 | 251 | 250 | 249 | 170 | Rho-associated protein kinase 2 |
| AGC | ROCK2 | ROCK2_HUMAN | 9EP8B | O75116 | 24 | 417 | 1388.0 | A1H6L:60501 | Type1 | Inactive | DFGin | 6.7218 | 13.6046 | BLAminus | -148.7, 178.5 | 52.93, 72.5 | -93.23, 28.49 | 302.13, 99.55 | -80.04, -2.24 | in-in | in | 8.3809 | Saltbr-in | 2.629 | HRD-in | -69.68, -48.04 | 67.21, 12.72 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2414 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 138.96 | APE8-rot-out | 55.95 | APE67-dihe-in | -50.85, -37.73 | -82.2, -18.64 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.63 | 0.203 | 0.242 | B | 402.0 | 373.0 | 16 | 29 | 17 | 12 | [[92, 354]] | 1.0 | 9ep8 | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.4e-93 | 318.0 | 1.0 | 260.0 | 260.0 | 231 | 232 | 233 | 235 | 237 | 121 | 140 | 144 | 211 | 213 | 212 | 214.0 | 276 | 260 | 255 | 254 | 253 | 252 | 251 | 250 | 249 | 170 | Rho-associated protein kinase 2 |
| AGC | ROCK2 | ROCK2_HUMAN | 9EP8C | O75116 | 24 | 417 | 1388.0 | A1H6L:60501 | Type1 | Inactive | DFGin | 6.7875 | 13.6967 | BLAminus | -142.98, 175.13 | 56.66, 74.33 | -94.91, 33.23 | 302.61, 100.99 | -80.72, -3.65 | in-in | in | 8.3304 | Saltbr-in | 2.6284 | HRD-in | -69.86, -50.69 | 67.71, 13.64 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2481 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 138.91 | APE8-rot-out | 55.45 | APE67-dihe-in | -48.54, -38.52 | -80.78, -17.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.63 | 0.203 | 0.242 | C | 402.0 | 375.0 | 15 | 29 | 17 | 12 | [[92, 354]] | 1.0 | 9ep8 | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.4e-93 | 318.0 | 1.0 | 260.0 | 260.0 | 231 | 232 | 233 | 235 | 237 | 121 | 140 | 144 | 211 | 213 | 212 | 214.0 | 276 | 260 | 255 | 254 | 253 | 252 | 251 | 250 | 249 | 170 | Rho-associated protein kinase 2 |
| AGC | ROCK2 | ROCK2_HUMAN | 9EP8D | O75116 | 22 | 417 | 1388.0 | A1H6L:60501 | Type1 | Inactive | DFGin | 6.533 | 13.5154 | BLAminus | -145.65, 177.68 | 55.35, 73.4 | -93.14, 26.37 | 302.82, 99.26 | -82.32, -4.28 | in-in | in | 8.4987 | Saltbr-in | 2.6122 | HRD-in | -71.04, -48.63 | 67.32, 7.83 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2521 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | -134.28, 155.4 | APE9-dihe-na | -71.41, -102.58 | APE8-dihe-in | -87.31, 137.03 | APE8-rot-out | 55.19 | APE67-dihe-in | -49.79, -38.66 | -81.91, -22.13 | APE12-dist-in | 8.0012 | APE11-dist-in | 8.6831 | APE10-dist-out | 8.1259 | APE9-dist-out | 6.719 | None | None | None | XRAY | 2.63 | 0.203 | 0.242 | D | 402.0 | 386.0 | 5 | 29 | 27 | 2 | [[92, 354]] | 1.0 | 9ep8 | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.4e-93 | 318.0 | 1.0 | 260.0 | 260.0 | 231 | 232 | 233 | 235 | 237 | 121 | 140 | 144 | 211 | 213 | 212 | 214.0 | 276 | 260 | 255 | 254 | 253 | 252 | 251 | 250 | 249 | 170 | Rho-associated protein kinase 2 |
| 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 |
|---|