| 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 | 8X92A | O75116 | 29 | 416 | 1388.0 | YEW:501 | Type1 | Inactive | DFGin | 6.2828 | 13.5091 | ABAminus | -130.17, -37.88 | -106.77, 98.05 | -102.95, 26.89 | 303.41, 99.6 | -63.14, -27.04 | in-in | in | 8.5046 | Saltbr-in | 2.3441 | HRD-in | -76.14, -56.17 | 76.65, -10.0 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0965 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.17, 164.81 | APE9-dihe-na | 100.98, -149.71 | APE8-dihe-in | -115.92, 137.43 | APE8-rot-in | 295.58 | APE67-dihe-in | -63.22, -26.51 | -58.54, -42.75 | APE12-dist-in | 10.1553 | APE11-dist-in | 11.5226 | APE10-dist-in | 5.6808 | APE9-dist-in | 3.7573 | None | None | None | XRAY | 2.2 | 0.209 | 0.24 | A | 391.0 | 384.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 8x92 | AGC_ROCK2_HUMAN | AGC | 2.2e-93 | 318.1 | 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 | 8X92B | O75116 | 29 | 417 | 1388.0 | YEW:501 | Type1 | Inactive | DFGin | 6.3901 | 13.3512 | ABAminus | -130.25, -35.39 | -108.15, 104.62 | -106.39, 29.3 | 307.45, 100.77 | -61.59, -28.54 | in-in | in | 8.3473 | Saltbr-in | 2.9402 | HRD-in | -76.68, -52.79 | 78.59, -25.26 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0915 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_noio | APE10-dihe-na | -131.54, -42.51 | APE9-dihe-na | 102.33, -143.39 | APE8-dihe-in | -75.11, 133.17 | APE8-rot-out | 81.17 | APE67-dihe-in | -53.78, -31.77 | -93.71, 6.6 | APE12-dist-none | 999.0 | APE11-dist-out | 7.6747 | APE10-dist-in | 6.5685 | APE9-dist-out | 9.5363 | None | None | None | XRAY | 2.2 | 0.209 | 0.24 | B | 391.0 | 368.0 | 15 | 29 | 19 | 10 | [[92, 354]] | 1.0 | 8x92 | AGC_ROCK2_HUMAN | AGC | 2.2e-93 | 318.1 | 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 | 8X92A | O75116 | 29 | 416 | 1388.0 | YEW:501 | Type1 | Inactive | DFGin | 6.2828 | 13.5091 | ABAminus | -130.17, -37.88 | -106.77, 98.05 | -102.95, 26.89 | 303.41, 99.6 | -63.14, -27.04 | in-in | in | 8.5046 | Saltbr-in | 2.3441 | HRD-in | -76.14, -56.17 | 76.65, -10.0 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0965 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.17, 164.81 | APE9-dihe-na | 100.98, -149.71 | APE8-dihe-in | -115.92, 137.43 | APE8-rot-in | 295.58 | APE67-dihe-in | -63.22, -26.51 | -58.54, -42.75 | APE12-dist-in | 10.1553 | APE11-dist-in | 11.5226 | APE10-dist-in | 5.6808 | APE9-dist-in | 3.7573 | None | None | None | XRAY | 2.2 | 0.209 | 0.24 | A | 391.0 | 384.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 8x92 | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.2e-93 | 318.1 | 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 | 8X92B | O75116 | 29 | 417 | 1388.0 | YEW:501 | Type1 | Inactive | DFGin | 6.3901 | 13.3512 | ABAminus | -130.25, -35.39 | -108.15, 104.62 | -106.39, 29.3 | 307.45, 100.77 | -61.59, -28.54 | in-in | in | 8.3473 | Saltbr-in | 2.9402 | HRD-in | -76.68, -52.79 | 78.59, -25.26 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0915 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_noio | APE10-dihe-na | -131.54, -42.51 | APE9-dihe-na | 102.33, -143.39 | APE8-dihe-in | -75.11, 133.17 | APE8-rot-out | 81.17 | APE67-dihe-in | -53.78, -31.77 | -93.71, 6.6 | APE12-dist-none | 999.0 | APE11-dist-out | 7.6747 | APE10-dist-in | 6.5685 | APE9-dist-out | 9.5363 | None | None | None | XRAY | 2.2 | 0.209 | 0.24 | B | 391.0 | 368.0 | 15 | 29 | 19 | 10 | [[92, 354]] | 1.0 | 8x92 | Homo sapiens | AGC_ROCK2_HUMAN | AGC | 2.2e-93 | 318.1 | 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 |
|---|