| 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 | 1NXKA | P49137 | 42 | 345 | 400.0 | STU:401 | Type1 | None | DFGin | 4.8289 | 13.4276 | BLAminus | -122.05, -170.73 | 42.15, 101.84 | -103.58, 19.28 | 282.18, 65.24 | -58.03, -23.15 | in-in | in | 8.7159 | Saltbr-in | 2.4725 | HRD-in | -79.4, -39.47 | 62.13, 0.83 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.6831 | 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 | -71.16, 3.04 | 999.0, 148.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | MSE94,MSE138,MSE167,MSE246,MSE253,MSE275,MSE281,MSE300,MSE314,MSE320,MSE326,MSE356 | XRAY | 2.7 | 0.241 | 0.274 | A | 400.0 | 290.0 | 14 | 27 | 16 | 11 | [[63, 325]] | 1.0 | 1nxk | CAMK_MAPKAPK2_HUMAN | CAMK | 6.7e-80 | 274.2 | 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 | 1NXKB | P49137 | 44 | 345 | 400.0 | STU:403 | Type1 | None | DFGin | 4.5769 | 13.8216 | BLAminus | -128.27, 177.79 | 53.09, 103.0 | -104.87, 20.3 | 276.49, 67.38 | -57.0, -14.43 | in-in | in | 8.6474 | Saltbr-in | 2.5635 | HRD-in | -64.22, -46.2 | 66.47, 1.25 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8195 | 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 | -61.0, -19.87 | 999.0, 111.09 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | MSE94,MSE138,MSE167,MSE246,MSE253,MSE275,MSE281,MSE300,MSE314,MSE320,MSE326,MSE356 | XRAY | 2.7 | 0.241 | 0.274 | B | 400.0 | 283.0 | 19 | 27 | 16 | 11 | [[63, 325]] | 1.0 | 1nxk | CAMK_MAPKAPK2_HUMAN | CAMK | 6.7e-80 | 274.2 | 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 | 1NXKC | P49137 | 41 | 357 | 400.0 | STU:401 | Type1 | None | DFGin | 4.9628 | 13.774 | BLAminus | -132.89, 178.15 | 57.47, 93.76 | -100.34, 25.49 | 283.43, 65.32 | -70.88, 11.4 | in-in | in | 8.6843 | Saltbr-in | 2.3398 | HRD-in | -75.36, -47.72 | 65.17, 8.17 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.9819 | 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 | -57.28, 2.34 | 999.0, 115.48 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | MSE94,MSE138,MSE167,MSE246,MSE253,MSE275,MSE281,MSE300,MSE314,MSE320,MSE326,MSE356 | XRAY | 2.7 | 0.241 | 0.274 | C | 400.0 | 306.0 | 11 | 27 | 16 | 11 | [[63, 325]] | 1.0 | 1nxk | CAMK_MAPKAPK2_HUMAN | CAMK | 6.7e-80 | 274.2 | 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 | 1NXKD | P49137 | 43 | 342 | 400.0 | STU:401 | Type1 | Inactive | DFGin | 4.8314 | 13.91 | BLAminus | -136.01, 172.45 | 58.97, 96.18 | -97.02, 30.62 | 280.59, 64.96 | -55.97, -37.81 | in-in | in | 8.8025 | Saltbr-in | 2.6493 | HRD-in | -61.55, -54.52 | 76.31, -8.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0037 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_nnoo | APE10-dihe-na | 999.0, 21.79 | APE9-dihe-na | -95.93, -89.71 | APE8-dihe-out | 87.4, 89.72 | APE8-rot-in | 304.66 | APE67-dihe-out | -57.06, -12.13 | -63.98, 136.8 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 30.4871 | APE9-dist-out | 33.3307 | None | None | MSE94,MSE138,MSE167,MSE246,MSE253,MSE275,MSE281,MSE300,MSE314,MSE320,MSE326,MSE356 | XRAY | 2.7 | 0.241 | 0.274 | D | 400.0 | 288.0 | 12 | 27 | 19 | 8 | [[63, 325]] | 1.0 | 1nxk | CAMK_MAPKAPK2_HUMAN | CAMK | 6.7e-80 | 274.2 | 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 | 1NXKA | P49137 | 42 | 345 | 400.0 | STU:401 | Type1 | None | DFGin | 4.8289 | 13.4276 | BLAminus | -122.05, -170.73 | 42.15, 101.84 | -103.58, 19.28 | 282.18, 65.24 | -58.03, -23.15 | in-in | in | 8.7159 | Saltbr-in | 2.4725 | HRD-in | -79.4, -39.47 | 62.13, 0.83 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.6831 | 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 | -71.16, 3.04 | 999.0, 148.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | MSE94,MSE138,MSE167,MSE246,MSE253,MSE275,MSE281,MSE300,MSE314,MSE320,MSE326,MSE356 | XRAY | 2.7 | 0.241 | 0.274 | A | 400.0 | 290.0 | 14 | 27 | 16 | 11 | [[63, 325]] | 1.0 | 1nxk | Homo sapiens | CAMK_MAPKAPK2_HUMAN | CAMK | 6.7e-80 | 274.2 | 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 | 1NXKB | P49137 | 44 | 345 | 400.0 | STU:403 | Type1 | None | DFGin | 4.5769 | 13.8216 | BLAminus | -128.27, 177.79 | 53.09, 103.0 | -104.87, 20.3 | 276.49, 67.38 | -57.0, -14.43 | in-in | in | 8.6474 | Saltbr-in | 2.5635 | HRD-in | -64.22, -46.2 | 66.47, 1.25 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8195 | 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 | -61.0, -19.87 | 999.0, 111.09 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | MSE94,MSE138,MSE167,MSE246,MSE253,MSE275,MSE281,MSE300,MSE314,MSE320,MSE326,MSE356 | XRAY | 2.7 | 0.241 | 0.274 | B | 400.0 | 283.0 | 19 | 27 | 16 | 11 | [[63, 325]] | 1.0 | 1nxk | Homo sapiens | CAMK_MAPKAPK2_HUMAN | CAMK | 6.7e-80 | 274.2 | 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 | 1NXKC | P49137 | 41 | 357 | 400.0 | STU:401 | Type1 | None | DFGin | 4.9628 | 13.774 | BLAminus | -132.89, 178.15 | 57.47, 93.76 | -100.34, 25.49 | 283.43, 65.32 | -70.88, 11.4 | in-in | in | 8.6843 | Saltbr-in | 2.3398 | HRD-in | -75.36, -47.72 | 65.17, 8.17 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.9819 | 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 | -57.28, 2.34 | 999.0, 115.48 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | MSE94,MSE138,MSE167,MSE246,MSE253,MSE275,MSE281,MSE300,MSE314,MSE320,MSE326,MSE356 | XRAY | 2.7 | 0.241 | 0.274 | C | 400.0 | 306.0 | 11 | 27 | 16 | 11 | [[63, 325]] | 1.0 | 1nxk | Homo sapiens | CAMK_MAPKAPK2_HUMAN | CAMK | 6.7e-80 | 274.2 | 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 | 1NXKD | P49137 | 43 | 342 | 400.0 | STU:401 | Type1 | Inactive | DFGin | 4.8314 | 13.91 | BLAminus | -136.01, 172.45 | 58.97, 96.18 | -97.02, 30.62 | 280.59, 64.96 | -55.97, -37.81 | in-in | in | 8.8025 | Saltbr-in | 2.6493 | HRD-in | -61.55, -54.52 | 76.31, -8.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0037 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_nnoo | APE10-dihe-na | 999.0, 21.79 | APE9-dihe-na | -95.93, -89.71 | APE8-dihe-out | 87.4, 89.72 | APE8-rot-in | 304.66 | APE67-dihe-out | -57.06, -12.13 | -63.98, 136.8 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 30.4871 | APE9-dist-out | 33.3307 | None | None | MSE94,MSE138,MSE167,MSE246,MSE253,MSE275,MSE281,MSE300,MSE314,MSE320,MSE326,MSE356 | XRAY | 2.7 | 0.241 | 0.274 | D | 400.0 | 288.0 | 12 | 27 | 19 | 8 | [[63, 325]] | 1.0 | 1nxk | Homo sapiens | CAMK_MAPKAPK2_HUMAN | CAMK | 6.7e-80 | 274.2 | 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 |
|---|