| 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 | 7P6PA | O75116 | 24 | 417 | 1388.0 | 5YV:501 | Type1 | Inactive | DFGin | 6.1436 | 13.4975 | BLAminus | -132.07, 172.67 | 54.56, 93.15 | -112.26, 31.75 | 305.01, 96.0 | -65.02, -28.17 | in-in | in | 8.9359 | Saltbr-in | 2.7077 | HRD-in | -75.76, -48.68 | 68.71, 2.45 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0199 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_onoo | APE10-dihe-na | 999.0, -37.69 | APE9-dihe-na | 68.06, 165.75 | APE8-dihe-out | 49.49, 69.05 | APE8-rot-out | 51.42 | APE67-dihe-in | -43.22, -41.5 | -67.31, -24.58 | APE12-dist-out | 5.8964 | APE11-dist-none | 999.0 | APE10-dist-out | 8.8145 | APE9-dist-out | 9.313 | None | None | None | XRAY | 2.82 | 0.222 | 0.258 | A | 399.0 | 389.0 | 1 | 29 | 28 | 1 | [[92, 354]] | 1.0 | 7p6p | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 7P6PB | O75116 | 24 | 417 | 1388.0 | 5YV:501 | Type1 | Inactive | DFGin | 6.1537 | 13.387 | BLAminus | -129.93, 173.86 | 61.04, 88.71 | -108.06, 31.11 | 304.98, 97.36 | -66.26, -28.42 | in-in | in | 8.705 | Saltbr-in | 3.1205 | HRD-in | -76.63, -48.03 | 68.67, 4.31 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0234 | 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, 131.26 | APE8-rot-out | 47.95 | APE67-dihe-in | -44.6, -41.1 | -70.73, -25.18 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.82 | 0.222 | 0.258 | B | 399.0 | 374.0 | 15 | 29 | 17 | 12 | [[92, 354]] | 1.0 | 7p6p | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 7P6PC | O75116 | 24 | 417 | 1388.0 | 5YV:501 | Type1 | Inactive | DFGin | 6.183 | 13.4382 | BLAminus | -129.72, 174.14 | 60.9, 87.88 | -108.85, 31.32 | 304.91, 96.4 | -66.49, -26.92 | in-in | in | 8.7175 | Saltbr-in | 3.1215 | HRD-in | -77.5, -47.77 | 68.57, 3.01 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0284 | 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, 132.51 | APE8-rot-out | 47.87 | APE67-dihe-in | -49.24, -39.17 | -68.89, -25.77 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.82 | 0.222 | 0.258 | C | 399.0 | 378.0 | 12 | 29 | 18 | 11 | [[92, 354]] | 1.0 | 7p6p | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 7P6PD | O75116 | 24 | 417 | 1388.0 | 5YV:501 | Type1 | Inactive | DFGin | 6.1385 | 13.3878 | BLAminus | -129.14, 174.38 | 61.55, 87.6 | -108.19, 31.9 | 304.73, 96.8 | -65.3, -27.92 | in-in | in | 8.7545 | Saltbr-in | 3.1392 | HRD-in | -76.81, -47.84 | 67.84, 3.94 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0286 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -134.04, 138.37 | APE9-dihe-na | 76.18, 149.98 | APE8-dihe-in | -41.73, 133.73 | APE8-rot-out | 47.62 | APE67-dihe-in | -47.73, -39.5 | -71.48, -25.27 | APE12-dist-in | 11.0305 | APE11-dist-in | 11.225 | APE10-dist-in | 6.1393 | APE9-dist-in | 5.154 | None | None | None | XRAY | 2.82 | 0.222 | 0.258 | D | 399.0 | 383.0 | 6 | 29 | 27 | 2 | [[92, 354]] | 1.0 | 7p6p | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 7P6PA | O75116 | 24 | 417 | 1388.0 | 5YV:501 | Type1 | Inactive | DFGin | 6.1436 | 13.4975 | BLAminus | -132.07, 172.67 | 54.56, 93.15 | -112.26, 31.75 | 305.01, 96.0 | -65.02, -28.17 | in-in | in | 8.9359 | Saltbr-in | 2.7077 | HRD-in | -75.76, -48.68 | 68.71, 2.45 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0199 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_onoo | APE10-dihe-na | 999.0, -37.69 | APE9-dihe-na | 68.06, 165.75 | APE8-dihe-out | 49.49, 69.05 | APE8-rot-out | 51.42 | APE67-dihe-in | -43.22, -41.5 | -67.31, -24.58 | APE12-dist-out | 5.8964 | APE11-dist-none | 999.0 | APE10-dist-out | 8.8145 | APE9-dist-out | 9.313 | None | None | None | XRAY | 2.82 | 0.222 | 0.258 | A | 399.0 | 389.0 | 1 | 29 | 28 | 1 | [[92, 354]] | 1.0 | 7p6p | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 7P6PB | O75116 | 24 | 417 | 1388.0 | 5YV:501 | Type1 | Inactive | DFGin | 6.1537 | 13.387 | BLAminus | -129.93, 173.86 | 61.04, 88.71 | -108.06, 31.11 | 304.98, 97.36 | -66.26, -28.42 | in-in | in | 8.705 | Saltbr-in | 3.1205 | HRD-in | -76.63, -48.03 | 68.67, 4.31 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0234 | 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, 131.26 | APE8-rot-out | 47.95 | APE67-dihe-in | -44.6, -41.1 | -70.73, -25.18 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.82 | 0.222 | 0.258 | B | 399.0 | 374.0 | 15 | 29 | 17 | 12 | [[92, 354]] | 1.0 | 7p6p | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 7P6PC | O75116 | 24 | 417 | 1388.0 | 5YV:501 | Type1 | Inactive | DFGin | 6.183 | 13.4382 | BLAminus | -129.72, 174.14 | 60.9, 87.88 | -108.85, 31.32 | 304.91, 96.4 | -66.49, -26.92 | in-in | in | 8.7175 | Saltbr-in | 3.1215 | HRD-in | -77.5, -47.77 | 68.57, 3.01 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0284 | 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, 132.51 | APE8-rot-out | 47.87 | APE67-dihe-in | -49.24, -39.17 | -68.89, -25.77 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.82 | 0.222 | 0.258 | C | 399.0 | 378.0 | 12 | 29 | 18 | 11 | [[92, 354]] | 1.0 | 7p6p | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.3e-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 | 7P6PD | O75116 | 24 | 417 | 1388.0 | 5YV:501 | Type1 | Inactive | DFGin | 6.1385 | 13.3878 | BLAminus | -129.14, 174.38 | 61.55, 87.6 | -108.19, 31.9 | 304.73, 96.8 | -65.3, -27.92 | in-in | in | 8.7545 | Saltbr-in | 3.1392 | HRD-in | -76.81, -47.84 | 67.84, 3.94 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0286 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -134.04, 138.37 | APE9-dihe-na | 76.18, 149.98 | APE8-dihe-in | -41.73, 133.73 | APE8-rot-out | 47.62 | APE67-dihe-in | -47.73, -39.5 | -71.48, -25.27 | APE12-dist-in | 11.0305 | APE11-dist-in | 11.225 | APE10-dist-in | 6.1393 | APE9-dist-in | 5.154 | None | None | None | XRAY | 2.82 | 0.222 | 0.258 | D | 399.0 | 383.0 | 6 | 29 | 27 | 2 | [[92, 354]] | 1.0 | 7p6p | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.3e-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 |
|---|