| 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 | 4WOTA | O75116 | 22 | 417 | 1388.0 | 3SG:501 | Type1 | Inactive | DFGin | 6.1945 | 13.074 | ABAminus | -135.17, -10.51 | -134.2, 128.83 | -131.16, 28.81 | 310.32, 108.74 | -62.4, -34.78 | in-in | in | 8.967 | Saltbr-in | 2.447 | HRD-in | -67.9, -48.5 | 51.03, 22.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9899 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, 151.53 | APE9-dihe-na | 148.47, -177.25 | APE8-dihe-in | -79.02, 124.53 | APE8-rot-out | 69.87 | APE67-dihe-in | -33.84, -49.13 | -87.01, 2.67 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.5577 | APE9-dist-out | 7.9832 | None | None | None | XRAY | 2.93 | 0.223 | 0.268 | A | 396.0 | 389.0 | 3 | 29 | 26 | 3 | [[92, 354]] | 1.0 | 4wot | 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 | 4WOTB | O75116 | 22 | 417 | 1388.0 | 3SG:501 | Type1 | Inactive | DFGin | 6.2061 | 13.412 | ABAminus | -121.15, -29.83 | -129.18, 101.54 | -100.78, 25.44 | 307.28, 101.28 | -60.27, -29.91 | in-in | in | 9.2394 | Saltbr-in | 2.5551 | HRD-in | -73.23, -53.38 | 48.65, 30.57 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0139 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -144.19, 136.46 | APE9-dihe-na | 130.7, 169.23 | APE8-dihe-in | -78.33, 140.31 | APE8-rot-in | 315.87 | APE67-dihe-in | -66.72, -32.79 | -54.96, -39.47 | APE12-dist-in | 10.2698 | APE11-dist-in | 11.1208 | APE10-dist-in | 5.4011 | APE9-dist-in | 3.961 | None | None | None | XRAY | 2.93 | 0.223 | 0.268 | B | 396.0 | 394.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 4wot | 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 | 4WOTC | O75116 | 22 | 417 | 1388.0 | 3SG:501 | Type1 | Inactive | DFGin | 6.3975 | 13.1365 | ABAminus | -155.48, 37.05 | -162.57, 126.3 | -126.94, 37.81 | 307.24, 97.39 | -72.68, -39.98 | in-in | in | 8.8532 | Saltbr-in | 2.7026 | HRD-in | -72.02, -52.38 | 47.81, 35.39 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0572 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -143.22, 153.14 | APE9-dihe-na | 111.79, 170.52 | APE8-dihe-in | -74.42, 135.59 | APE8-rot-in | 311.52 | APE67-dihe-in | -64.13, -31.94 | -46.85, -44.87 | APE12-dist-in | 10.3652 | APE11-dist-in | 11.1725 | APE10-dist-in | 5.5084 | APE9-dist-in | 4.1825 | None | None | None | XRAY | 2.93 | 0.223 | 0.268 | C | 396.0 | 392.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 4wot | 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 | 4WOTD | O75116 | 23 | 417 | 1388.0 | 3SG:501 | Type1 | Inactive | DFGin | 6.2523 | 13.2573 | ABAminus | -118.96, -34.54 | -121.89, 101.62 | -103.9, 33.36 | 309.85, 95.26 | -70.03, -28.11 | in-in | in | 9.0867 | Saltbr-in | 2.4432 | HRD-in | -70.37, -47.18 | 69.99, 3.47 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9303 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nooo | APE10-dihe-na | -161.47, 159.03 | APE9-dihe-na | 169.18, 177.89 | APE8-dihe-in | -96.13, 131.57 | APE8-rot-out | 64.42 | APE67-dihe-in | -46.94, -47.22 | -87.02, 3.22 | APE12-dist-none | 999.0 | APE11-dist-out | 7.5647 | APE10-dist-out | 8.7203 | APE9-dist-out | 7.9469 | None | None | None | XRAY | 2.93 | 0.223 | 0.268 | D | 396.0 | 389.0 | 2 | 29 | 27 | 2 | [[92, 354]] | 1.0 | 4wot | 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 | 4WOTA | O75116 | 22 | 417 | 1388.0 | 3SG:501 | Type1 | Inactive | DFGin | 6.1945 | 13.074 | ABAminus | -135.17, -10.51 | -134.2, 128.83 | -131.16, 28.81 | 310.32, 108.74 | -62.4, -34.78 | in-in | in | 8.967 | Saltbr-in | 2.447 | HRD-in | -67.9, -48.5 | 51.03, 22.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9899 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, 151.53 | APE9-dihe-na | 148.47, -177.25 | APE8-dihe-in | -79.02, 124.53 | APE8-rot-out | 69.87 | APE67-dihe-in | -33.84, -49.13 | -87.01, 2.67 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.5577 | APE9-dist-out | 7.9832 | None | None | None | XRAY | 2.93 | 0.223 | 0.268 | A | 396.0 | 389.0 | 3 | 29 | 26 | 3 | [[92, 354]] | 1.0 | 4wot | 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 | 4WOTB | O75116 | 22 | 417 | 1388.0 | 3SG:501 | Type1 | Inactive | DFGin | 6.2061 | 13.412 | ABAminus | -121.15, -29.83 | -129.18, 101.54 | -100.78, 25.44 | 307.28, 101.28 | -60.27, -29.91 | in-in | in | 9.2394 | Saltbr-in | 2.5551 | HRD-in | -73.23, -53.38 | 48.65, 30.57 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0139 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -144.19, 136.46 | APE9-dihe-na | 130.7, 169.23 | APE8-dihe-in | -78.33, 140.31 | APE8-rot-in | 315.87 | APE67-dihe-in | -66.72, -32.79 | -54.96, -39.47 | APE12-dist-in | 10.2698 | APE11-dist-in | 11.1208 | APE10-dist-in | 5.4011 | APE9-dist-in | 3.961 | None | None | None | XRAY | 2.93 | 0.223 | 0.268 | B | 396.0 | 394.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 4wot | 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 | 4WOTC | O75116 | 22 | 417 | 1388.0 | 3SG:501 | Type1 | Inactive | DFGin | 6.3975 | 13.1365 | ABAminus | -155.48, 37.05 | -162.57, 126.3 | -126.94, 37.81 | 307.24, 97.39 | -72.68, -39.98 | in-in | in | 8.8532 | Saltbr-in | 2.7026 | HRD-in | -72.02, -52.38 | 47.81, 35.39 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0572 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -143.22, 153.14 | APE9-dihe-na | 111.79, 170.52 | APE8-dihe-in | -74.42, 135.59 | APE8-rot-in | 311.52 | APE67-dihe-in | -64.13, -31.94 | -46.85, -44.87 | APE12-dist-in | 10.3652 | APE11-dist-in | 11.1725 | APE10-dist-in | 5.5084 | APE9-dist-in | 4.1825 | None | None | None | XRAY | 2.93 | 0.223 | 0.268 | C | 396.0 | 392.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 4wot | 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 | 4WOTD | O75116 | 23 | 417 | 1388.0 | 3SG:501 | Type1 | Inactive | DFGin | 6.2523 | 13.2573 | ABAminus | -118.96, -34.54 | -121.89, 101.62 | -103.9, 33.36 | 309.85, 95.26 | -70.03, -28.11 | in-in | in | 9.0867 | Saltbr-in | 2.4432 | HRD-in | -70.37, -47.18 | 69.99, 3.47 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9303 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nooo | APE10-dihe-na | -161.47, 159.03 | APE9-dihe-na | 169.18, 177.89 | APE8-dihe-in | -96.13, 131.57 | APE8-rot-out | 64.42 | APE67-dihe-in | -46.94, -47.22 | -87.02, 3.22 | APE12-dist-none | 999.0 | APE11-dist-out | 7.5647 | APE10-dist-out | 8.7203 | APE9-dist-out | 7.9469 | None | None | None | XRAY | 2.93 | 0.223 | 0.268 | D | 396.0 | 389.0 | 2 | 29 | 27 | 2 | [[92, 354]] | 1.0 | 4wot | 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 |
|---|