| 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 | 6P5PA | O75116 | 27 | 417 | 1388.0 | O1V:2500 | Type1 | Inactive | DFGin | 6.1 | 13.7982 | ABAminus | -140.54, -38.15 | -103.07, 135.03 | -138.91, 13.89 | 292.53, 107.02 | -62.06, -18.82 | in-in | in | 9.0441 | Saltbr-in | 2.7049 | HRD-in | -91.96, -54.28 | 90.29, -35.29 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0978 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -113.88, 157.67 | APE9-dihe-na | 95.31, 171.85 | APE8-dihe-in | -89.1, 136.7 | APE8-rot-out | 43.44 | APE67-dihe-in | -58.47, -37.34 | -54.83, -41.99 | APE12-dist-in | 9.8535 | APE11-dist-in | 11.647 | APE10-dist-in | 5.6416 | APE9-dist-in | 4.5055 | F270Y | None | None | XRAY | 3.3 | 0.207 | 0.236 | A | 405.0 | 386.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6p5p | AGC_ROCK2_HUMAN | AGC | 1.8e-93 | 318.4 | 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 | 6P5PB | O75116 | 27 | 417 | 1388.0 | O1V:2500 | Type1 | Inactive | DFGin | 6.0895 | 13.6668 | ABAminus | -142.64, -37.41 | -103.44, 133.69 | -139.28, 14.63 | 293.57, 107.2 | -60.04, -21.17 | in-in | in | 8.7166 | Saltbr-in | 2.7128 | HRD-in | -86.41, -51.75 | 93.44, -45.12 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1147 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nnio | APE10-dihe-na | 999.0, 98.93 | APE9-dihe-na | 96.49, 160.02 | APE8-dihe-out | -136.03, -48.15 | APE8-rot-out | 58.37 | APE67-dihe-out | -95.66, -8.92 | -10.89, 163.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 6.8432 | APE9-dist-out | 7.7851 | F270Y | None | None | XRAY | 3.3 | 0.207 | 0.236 | B | 405.0 | 369.0 | 11 | 29 | 24 | 5 | [[92, 354]] | 1.0 | 6p5p | AGC_ROCK2_HUMAN | AGC | 1.8e-93 | 318.4 | 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 | 6P5PC | O75116 | 28 | 416 | 1388.0 | O1V:2500 | Type1 | Inactive | DFGin | 6.0585 | 13.7793 | ABAminus | -141.44, -37.71 | -103.72, 135.03 | -139.29, 13.77 | 292.2, 107.44 | -61.16, -19.58 | in-in | in | 9.0196 | Saltbr-in | 2.5842 | HRD-in | -89.59, -53.69 | 91.0, -37.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0972 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -113.85, 160.08 | APE9-dihe-na | 94.19, 175.02 | APE8-dihe-in | -83.56, 138.16 | APE8-rot-out | 27.44 | APE67-dihe-in | -59.59, -38.55 | -52.39, -43.92 | APE12-dist-in | 9.8679 | APE11-dist-in | 11.697 | APE10-dist-in | 5.6986 | APE9-dist-in | 4.6141 | F270Y | None | None | XRAY | 3.3 | 0.207 | 0.236 | C | 405.0 | 375.0 | 9 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6p5p | AGC_ROCK2_HUMAN | AGC | 1.8e-93 | 318.4 | 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 | 6P5PD | O75116 | 26 | 416 | 1388.0 | O1V:2500 | Type1 | Inactive | DFGin | 6.0632 | 13.5384 | ABAminus | -142.31, -37.19 | -102.73, 133.81 | -138.95, 14.8 | 293.03, 107.98 | -61.89, -20.52 | in-in | in | 8.7293 | Saltbr-in | 3.0028 | HRD-in | -87.78, -50.98 | 94.3, -44.63 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1052 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiio | APE10-dihe-na | 142.21, 160.44 | APE9-dihe-na | 98.4, 160.87 | APE8-dihe-in | -91.67, 134.46 | APE8-rot-out | 44.39 | APE67-dihe-in | -35.6, -42.17 | -54.98, -42.29 | APE12-dist-in | 8.5396 | APE11-dist-in | 10.2333 | APE10-dist-in | 6.8652 | APE9-dist-out | 8.0997 | F270Y | None | None | XRAY | 3.3 | 0.207 | 0.236 | D | 405.0 | 382.0 | 4 | 29 | 28 | 1 | [[92, 354]] | 1.0 | 6p5p | AGC_ROCK2_HUMAN | AGC | 1.8e-93 | 318.4 | 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 | 6P5PA | O75116 | 27 | 417 | 1388.0 | O1V:2500 | Type1 | Inactive | DFGin | 6.1 | 13.7982 | ABAminus | -140.54, -38.15 | -103.07, 135.03 | -138.91, 13.89 | 292.53, 107.02 | -62.06, -18.82 | in-in | in | 9.0441 | Saltbr-in | 2.7049 | HRD-in | -91.96, -54.28 | 90.29, -35.29 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0978 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -113.88, 157.67 | APE9-dihe-na | 95.31, 171.85 | APE8-dihe-in | -89.1, 136.7 | APE8-rot-out | 43.44 | APE67-dihe-in | -58.47, -37.34 | -54.83, -41.99 | APE12-dist-in | 9.8535 | APE11-dist-in | 11.647 | APE10-dist-in | 5.6416 | APE9-dist-in | 4.5055 | F270Y | None | None | XRAY | 3.3 | 0.207 | 0.236 | A | 405.0 | 386.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6p5p | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 1.8e-93 | 318.4 | 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 | 6P5PB | O75116 | 27 | 417 | 1388.0 | O1V:2500 | Type1 | Inactive | DFGin | 6.0895 | 13.6668 | ABAminus | -142.64, -37.41 | -103.44, 133.69 | -139.28, 14.63 | 293.57, 107.2 | -60.04, -21.17 | in-in | in | 8.7166 | Saltbr-in | 2.7128 | HRD-in | -86.41, -51.75 | 93.44, -45.12 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1147 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nnio | APE10-dihe-na | 999.0, 98.93 | APE9-dihe-na | 96.49, 160.02 | APE8-dihe-out | -136.03, -48.15 | APE8-rot-out | 58.37 | APE67-dihe-out | -95.66, -8.92 | -10.89, 163.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 6.8432 | APE9-dist-out | 7.7851 | F270Y | None | None | XRAY | 3.3 | 0.207 | 0.236 | B | 405.0 | 369.0 | 11 | 29 | 24 | 5 | [[92, 354]] | 1.0 | 6p5p | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 1.8e-93 | 318.4 | 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 | 6P5PC | O75116 | 28 | 416 | 1388.0 | O1V:2500 | Type1 | Inactive | DFGin | 6.0585 | 13.7793 | ABAminus | -141.44, -37.71 | -103.72, 135.03 | -139.29, 13.77 | 292.2, 107.44 | -61.16, -19.58 | in-in | in | 9.0196 | Saltbr-in | 2.5842 | HRD-in | -89.59, -53.69 | 91.0, -37.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0972 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -113.85, 160.08 | APE9-dihe-na | 94.19, 175.02 | APE8-dihe-in | -83.56, 138.16 | APE8-rot-out | 27.44 | APE67-dihe-in | -59.59, -38.55 | -52.39, -43.92 | APE12-dist-in | 9.8679 | APE11-dist-in | 11.697 | APE10-dist-in | 5.6986 | APE9-dist-in | 4.6141 | F270Y | None | None | XRAY | 3.3 | 0.207 | 0.236 | C | 405.0 | 375.0 | 9 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6p5p | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 1.8e-93 | 318.4 | 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 | 6P5PD | O75116 | 26 | 416 | 1388.0 | O1V:2500 | Type1 | Inactive | DFGin | 6.0632 | 13.5384 | ABAminus | -142.31, -37.19 | -102.73, 133.81 | -138.95, 14.8 | 293.03, 107.98 | -61.89, -20.52 | in-in | in | 8.7293 | Saltbr-in | 3.0028 | HRD-in | -87.78, -50.98 | 94.3, -44.63 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1052 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiio | APE10-dihe-na | 142.21, 160.44 | APE9-dihe-na | 98.4, 160.87 | APE8-dihe-in | -91.67, 134.46 | APE8-rot-out | 44.39 | APE67-dihe-in | -35.6, -42.17 | -54.98, -42.29 | APE12-dist-in | 8.5396 | APE11-dist-in | 10.2333 | APE10-dist-in | 6.8652 | APE9-dist-out | 8.0997 | F270Y | None | None | XRAY | 3.3 | 0.207 | 0.236 | D | 405.0 | 382.0 | 4 | 29 | 28 | 1 | [[92, 354]] | 1.0 | 6p5p | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 1.8e-93 | 318.4 | 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 |
|---|