| 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 | 6P5MC | O75116 | 18 | 417 | 1388.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2844 | 13.9214 | ABAminus | -122.7, -9.78 | -139.64, 138.02 | -140.63, 30.64 | 305.79, 99.12 | -60.86, -31.72 | in-in | in | 9.232 | Saltbr-in | 2.9118 | HRD-in | -79.08, -59.4 | 80.67, -6.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9615 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -106.73, 160.25 | APE9-dihe-na | 91.47, 176.97 | APE8-dihe-in | -75.63, 130.45 | APE8-rot-in | 321.11 | APE67-dihe-in | -50.51, -34.84 | -49.48, -49.9 | APE12-dist-in | 9.7395 | APE11-dist-in | 11.5255 | APE10-dist-in | 5.4867 | APE9-dist-in | 3.9004 | F270Y | None | None | XRAY | 2.65 | 0.195 | 0.225 | C | 405.0 | 395.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6p5m | 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 | 6P5MD | O75116 | 18 | 417 | 1388.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2848 | 13.9358 | ABAminus | -122.32, -12.13 | -136.93, 137.32 | -138.61, 32.6 | 305.2, 99.15 | -64.64, -30.48 | in-in | in | 9.2036 | Saltbr-in | 2.9023 | HRD-in | -80.83, -60.28 | 80.37, -5.42 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9724 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -105.85, 159.37 | APE9-dihe-na | 92.74, 176.75 | APE8-dihe-in | -76.16, 130.74 | APE8-rot-in | 321.06 | APE67-dihe-in | -51.46, -34.25 | -48.82, -49.31 | APE12-dist-in | 9.4784 | APE11-dist-in | 11.3216 | APE10-dist-in | 5.2947 | APE9-dist-in | 3.9097 | F270Y | None | None | XRAY | 2.65 | 0.195 | 0.225 | D | 405.0 | 395.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6p5m | 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 | 6P5MA | O75116 | 18 | 417 | 1388.0 | O1S:62500 | Type1 | Inactive | DFGin | 6.2632 | 13.4746 | BLAminus | -124.02, 171.64 | 60.38, 93.51 | -113.45, 31.35 | 303.9, 98.44 | -64.25, -25.91 | in-in | in | 8.4947 | Saltbr-in | 2.8343 | HRD-in | -79.85, -57.22 | 94.02, -30.37 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9886 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iiio | APE10-dihe-na | -116.08, 168.2 | APE9-dihe-na | -93.6, -119.04 | APE8-dihe-in | -73.92, 129.61 | APE8-rot-in | 321.09 | APE67-dihe-in | -55.49, -37.68 | -79.71, 0.19 | APE12-dist-in | 7.8013 | APE11-dist-in | 9.5024 | APE10-dist-in | 7.3888 | APE9-dist-out | 8.9426 | F270Y | None | None | XRAY | 2.65 | 0.195 | 0.225 | A | 405.0 | 395.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6p5m | 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 | 6P5MB | O75116 | 18 | 417 | 1388.0 | O1S:62500 | Type1 | Inactive | DFGin | 6.2513 | 13.6437 | BLAminus | -124.65, 169.29 | 60.65, 93.77 | -114.08, 30.09 | 303.05, 96.36 | -58.22, -30.22 | in-in | in | 8.643 | Saltbr-in | 2.8309 | HRD-in | -79.09, -57.01 | 92.03, -28.0 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9838 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oiio | APE10-dihe-na | -109.09, 158.86 | APE9-dihe-na | -92.72, -122.33 | APE8-dihe-in | -76.3, 130.79 | APE8-rot-out | 86.08 | APE67-dihe-in | -53.57, -38.7 | -80.54, 4.1 | APE12-dist-out | 6.637 | APE11-dist-in | 9.2605 | APE10-dist-in | 7.384 | APE9-dist-out | 9.0942 | F270Y | None | None | XRAY | 2.65 | 0.195 | 0.225 | B | 405.0 | 387.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6p5m | 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 | 6P5MC | O75116 | 18 | 417 | 1388.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2844 | 13.9214 | ABAminus | -122.7, -9.78 | -139.64, 138.02 | -140.63, 30.64 | 305.79, 99.12 | -60.86, -31.72 | in-in | in | 9.232 | Saltbr-in | 2.9118 | HRD-in | -79.08, -59.4 | 80.67, -6.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9615 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -106.73, 160.25 | APE9-dihe-na | 91.47, 176.97 | APE8-dihe-in | -75.63, 130.45 | APE8-rot-in | 321.11 | APE67-dihe-in | -50.51, -34.84 | -49.48, -49.9 | APE12-dist-in | 9.7395 | APE11-dist-in | 11.5255 | APE10-dist-in | 5.4867 | APE9-dist-in | 3.9004 | F270Y | None | None | XRAY | 2.65 | 0.195 | 0.225 | C | 405.0 | 395.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6p5m | 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 | 6P5MD | O75116 | 18 | 417 | 1388.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2848 | 13.9358 | ABAminus | -122.32, -12.13 | -136.93, 137.32 | -138.61, 32.6 | 305.2, 99.15 | -64.64, -30.48 | in-in | in | 9.2036 | Saltbr-in | 2.9023 | HRD-in | -80.83, -60.28 | 80.37, -5.42 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9724 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -105.85, 159.37 | APE9-dihe-na | 92.74, 176.75 | APE8-dihe-in | -76.16, 130.74 | APE8-rot-in | 321.06 | APE67-dihe-in | -51.46, -34.25 | -48.82, -49.31 | APE12-dist-in | 9.4784 | APE11-dist-in | 11.3216 | APE10-dist-in | 5.2947 | APE9-dist-in | 3.9097 | F270Y | None | None | XRAY | 2.65 | 0.195 | 0.225 | D | 405.0 | 395.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6p5m | 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 | 6P5MA | O75116 | 18 | 417 | 1388.0 | O1S:62500 | Type1 | Inactive | DFGin | 6.2632 | 13.4746 | BLAminus | -124.02, 171.64 | 60.38, 93.51 | -113.45, 31.35 | 303.9, 98.44 | -64.25, -25.91 | in-in | in | 8.4947 | Saltbr-in | 2.8343 | HRD-in | -79.85, -57.22 | 94.02, -30.37 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9886 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iiio | APE10-dihe-na | -116.08, 168.2 | APE9-dihe-na | -93.6, -119.04 | APE8-dihe-in | -73.92, 129.61 | APE8-rot-in | 321.09 | APE67-dihe-in | -55.49, -37.68 | -79.71, 0.19 | APE12-dist-in | 7.8013 | APE11-dist-in | 9.5024 | APE10-dist-in | 7.3888 | APE9-dist-out | 8.9426 | F270Y | None | None | XRAY | 2.65 | 0.195 | 0.225 | A | 405.0 | 395.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6p5m | 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 | 6P5MB | O75116 | 18 | 417 | 1388.0 | O1S:62500 | Type1 | Inactive | DFGin | 6.2513 | 13.6437 | BLAminus | -124.65, 169.29 | 60.65, 93.77 | -114.08, 30.09 | 303.05, 96.36 | -58.22, -30.22 | in-in | in | 8.643 | Saltbr-in | 2.8309 | HRD-in | -79.09, -57.01 | 92.03, -28.0 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9838 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oiio | APE10-dihe-na | -109.09, 158.86 | APE9-dihe-na | -92.72, -122.33 | APE8-dihe-in | -76.3, 130.79 | APE8-rot-out | 86.08 | APE67-dihe-in | -53.57, -38.7 | -80.54, 4.1 | APE12-dist-out | 6.637 | APE11-dist-in | 9.2605 | APE10-dist-in | 7.384 | APE9-dist-out | 9.0942 | F270Y | None | None | XRAY | 2.65 | 0.195 | 0.225 | B | 405.0 | 387.0 | 0 | 29 | 29 | 0 | [[92, 354]] | 1.0 | 6p5m | 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 |
|---|