| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CAMK | MAPKAPK2 | MAPK2_HUMAN | 2PZYD | P49137 | 43 | 342 | 400.0 | No_ligand | No_ligand | Inactive | DFGin | 4.0623 | 13.9221 | BLAminus | -152.15, 165.55 | 73.92, 95.4 | -98.52, 24.64 | 286.52, 78.72 | -40.74, -59.3 | in-in | in | 8.7708 | Saltbr-in | 2.73 | HRD-in | -82.11, -45.31 | 68.56, -1.03 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.031 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_nnoo | APE10-dihe-na | 999.0, 58.75 | APE9-dihe-na | -176.76, -129.46 | APE8-dihe-out | 94.27, 109.95 | APE8-rot-in | 285.39 | APE67-dihe-out | -47.44, -18.99 | -80.83, 132.43 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 31.2385 | APE9-dist-out | 32.7073 | None | None | None | XRAY | 2.9 | 0.251 | 0.313 | D | 324.0 | 288.0 | 12 | 27 | 19 | 8 | [[63, 325]] | 1.0 | 2pzy | CAMK_MAPKAPK2_HUMAN | CAMK | 3.4e-80 | 275.0 | 3.0 | 256.0 | 254.0 | 206 | 207 | 208 | 210 | 212 | 93 | 104 | 108 | 183 | 185 | 184 | 186.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 139 | MAP kinase-activated protein kinase 2 |
| CAMK | MAPKAPK2 | MAPK2_HUMAN | 2PZYA | P49137 | 42 | 346 | 400.0 | B18:1 | Type1 | None | DFGin | 4.5802 | 13.9758 | BLAminus | -104.95, 167.84 | 71.31, 102.38 | -102.76, 24.4 | 284.1, 63.71 | -59.24, -43.49 | in-in | in | 8.6002 | Saltbr-in | 2.624 | HRD-in | -76.66, -46.66 | 68.5, 5.37 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7467 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -117.11, -34.75 | 999.0, -126.68 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.9 | 0.251 | 0.313 | A | 324.0 | 291.0 | 14 | 27 | 16 | 11 | [[63, 325]] | 1.0 | 2pzy | CAMK_MAPKAPK2_HUMAN | CAMK | 3.4e-80 | 275.0 | 3.0 | 256.0 | 254.0 | 206 | 207 | 208 | 210 | 212 | 93 | 104 | 108 | 183 | 185 | 184 | 186.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 139 | MAP kinase-activated protein kinase 2 |
| CAMK | MAPKAPK2 | MAPK2_HUMAN | 2PZYB | P49137 | 44 | 345 | 400.0 | B18:2 | Type1 | None | DFGin | 4.5411 | 13.8333 | BLAminus | -135.83, 172.16 | 61.22, 108.34 | -113.0, 27.32 | 291.58, 57.74 | -68.8, -9.66 | in-in | in | 8.9168 | Saltbr-in | 2.953 | HRD-in | -74.89, -51.86 | 41.3, 40.89 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8257 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -68.0, -7.36 | 999.0, 151.04 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.9 | 0.251 | 0.313 | B | 324.0 | 283.0 | 19 | 27 | 16 | 11 | [[63, 325]] | 1.0 | 2pzy | CAMK_MAPKAPK2_HUMAN | CAMK | 3.4e-80 | 275.0 | 3.0 | 256.0 | 254.0 | 206 | 207 | 208 | 210 | 212 | 93 | 104 | 108 | 183 | 185 | 184 | 186.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 139 | MAP kinase-activated protein kinase 2 |
| CAMK | MAPKAPK2 | MAPK2_HUMAN | 2PZYC | P49137 | 42 | 359 | 400.0 | STU:3 | Type1 | None | DFGin | 4.7421 | 13.5838 | BLAminus | -137.32, 155.33 | 89.76, 83.85 | -93.67, 22.39 | 287.9, 52.26 | -71.67, 3.21 | in-in | in | 8.8993 | Saltbr-in | 2.4787 | HRD-in | -82.26, -44.82 | 71.63, -15.61 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8228 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -81.01, -7.47 | 999.0, -140.09 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.9 | 0.251 | 0.313 | C | 324.0 | 307.0 | 11 | 27 | 16 | 11 | [[63, 325]] | 1.0 | 2pzy | CAMK_MAPKAPK2_HUMAN | CAMK | 3.4e-80 | 275.0 | 3.0 | 256.0 | 254.0 | 206 | 207 | 208 | 210 | 212 | 93 | 104 | 108 | 183 | 185 | 184 | 186.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 139 | MAP kinase-activated 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CAMK | MAPKAPK2 | MAPK2_HUMAN | 2PZYD | P49137 | 43 | 342 | 400.0 | No_ligand | No_ligand | Inactive | DFGin | 4.0623 | 13.9221 | BLAminus | -152.15, 165.55 | 73.92, 95.4 | -98.52, 24.64 | 286.52, 78.72 | -40.74, -59.3 | in-in | in | 8.7708 | Saltbr-in | 2.73 | HRD-in | -82.11, -45.31 | 68.56, -1.03 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.031 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_nnoo | APE10-dihe-na | 999.0, 58.75 | APE9-dihe-na | -176.76, -129.46 | APE8-dihe-out | 94.27, 109.95 | APE8-rot-in | 285.39 | APE67-dihe-out | -47.44, -18.99 | -80.83, 132.43 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 31.2385 | APE9-dist-out | 32.7073 | None | None | None | XRAY | 2.9 | 0.251 | 0.313 | D | 324.0 | 288.0 | 12 | 27 | 19 | 8 | [[63, 325]] | 1.0 | 2pzy | Homo sapiens | CAMK_MAPKAPK2_HUMAN | CAMK | 3.4e-80 | 275.0 | 3.0 | 256.0 | 254.0 | 206 | 207 | 208 | 210 | 212 | 93 | 104 | 108 | 183 | 185 | 184 | 186.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 139 | MAP kinase-activated protein kinase 2 |
| CAMK | MAPKAPK2 | MAPK2_HUMAN | 2PZYA | P49137 | 42 | 346 | 400.0 | B18:1 | Type1 | None | DFGin | 4.5802 | 13.9758 | BLAminus | -104.95, 167.84 | 71.31, 102.38 | -102.76, 24.4 | 284.1, 63.71 | -59.24, -43.49 | in-in | in | 8.6002 | Saltbr-in | 2.624 | HRD-in | -76.66, -46.66 | 68.5, 5.37 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7467 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -117.11, -34.75 | 999.0, -126.68 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.9 | 0.251 | 0.313 | A | 324.0 | 291.0 | 14 | 27 | 16 | 11 | [[63, 325]] | 1.0 | 2pzy | Homo sapiens | CAMK_MAPKAPK2_HUMAN | CAMK | 3.4e-80 | 275.0 | 3.0 | 256.0 | 254.0 | 206 | 207 | 208 | 210 | 212 | 93 | 104 | 108 | 183 | 185 | 184 | 186.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 139 | MAP kinase-activated protein kinase 2 |
| CAMK | MAPKAPK2 | MAPK2_HUMAN | 2PZYB | P49137 | 44 | 345 | 400.0 | B18:2 | Type1 | None | DFGin | 4.5411 | 13.8333 | BLAminus | -135.83, 172.16 | 61.22, 108.34 | -113.0, 27.32 | 291.58, 57.74 | -68.8, -9.66 | in-in | in | 8.9168 | Saltbr-in | 2.953 | HRD-in | -74.89, -51.86 | 41.3, 40.89 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8257 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -68.0, -7.36 | 999.0, 151.04 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.9 | 0.251 | 0.313 | B | 324.0 | 283.0 | 19 | 27 | 16 | 11 | [[63, 325]] | 1.0 | 2pzy | Homo sapiens | CAMK_MAPKAPK2_HUMAN | CAMK | 3.4e-80 | 275.0 | 3.0 | 256.0 | 254.0 | 206 | 207 | 208 | 210 | 212 | 93 | 104 | 108 | 183 | 185 | 184 | 186.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 139 | MAP kinase-activated protein kinase 2 |
| CAMK | MAPKAPK2 | MAPK2_HUMAN | 2PZYC | P49137 | 42 | 359 | 400.0 | STU:3 | Type1 | None | DFGin | 4.7421 | 13.5838 | BLAminus | -137.32, 155.33 | 89.76, 83.85 | -93.67, 22.39 | 287.9, 52.26 | -71.67, 3.21 | in-in | in | 8.8993 | Saltbr-in | 2.4787 | HRD-in | -82.26, -44.82 | 71.63, -15.61 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8228 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -81.01, -7.47 | 999.0, -140.09 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.9 | 0.251 | 0.313 | C | 324.0 | 307.0 | 11 | 27 | 16 | 11 | [[63, 325]] | 1.0 | 2pzy | Homo sapiens | CAMK_MAPKAPK2_HUMAN | CAMK | 3.4e-80 | 275.0 | 3.0 | 256.0 | 254.0 | 206 | 207 | 208 | 210 | 212 | 93 | 104 | 108 | 183 | 185 | 184 | 186.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 139 | MAP kinase-activated 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 |
|---|