| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | MAP2K1 | MP2K1_HUMAN | 8DGSB | Q02750 | 38 | 383 | 393.0 | AGS:60801,LCJ:60803 | ATPlike,Type1 | Inactive | DFGin | 6.249 | 12.9971 | BLBplus | -155.73, -179.02 | 61.68, 27.26 | -72.39, 155.67 | 44.5, 85.53 | -87.2, 64.42 | out-out | out | 16.2947 | Saltbr-out | 16.06 | HRD-in | -62.57, -46.0 | 64.99, -4.53 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.7094 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -122.25, 153.26 | APE9-dihe-na | -110.07, 177.24 | APE8-dihe-out | -99.46, -47.43 | APE8-rot-out | 69.24 | APE67-dihe-out | -133.48, 170.62 | -132.77, 150.72 | APE12-dist-out | 17.1114 | APE11-dist-out | 20.5769 | APE10-dist-out | 22.9193 | APE9-dist-out | 13.2707 | S218A,S222A | None | None | EM | 4.3 | 999.0 | 999.0 | B | 414.0 | 314.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 8dgs | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| TKL | BRAF | BRAF_HUMAN | 8DGSA | P15056 | 155 | 738 | 766.0 | AGS:60801 | ATPlike | Inactive | DFGin | 6.6063 | 13.2375 | BLBplus | -138.09, -166.17 | 58.48, 64.88 | -134.87, 173.46 | 48.16, 90.78 | 58.1, -132.32 | out-out | out | 14.5219 | Saltbr-out | 12.2584 | HRD-in | -71.36, -47.09 | 71.02, -12.92 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.5544 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -160.2, 161.72 | APE9-dihe-na | 103.44, -137.95 | APE8-dihe-in | -102.25, 169.61 | APE8-rot-in | 312.72 | APE67-dihe-in | -64.56, -41.44 | -121.48, -15.09 | APE12-dist-out | 14.0817 | APE11-dist-out | 15.8432 | APE10-dist-out | 12.4597 | APE9-dist-out | 8.209 | None | SEP365,SEP729 | SEP365,SEP729 | EM | 4.3 | 999.0 | 999.0 | A | 805.0 | 427.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 8dgs | TKL_BRAF_HUMAN | TKL | 1.4e-80 | 277.0 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | MAP2K1 | MP2K1_HUMAN | 8DGSB | Q02750 | 38 | 383 | 393.0 | AGS:60801,LCJ:60803 | ATPlike,Type1 | Inactive | DFGin | 6.249 | 12.9971 | BLBplus | -155.73, -179.02 | 61.68, 27.26 | -72.39, 155.67 | 44.5, 85.53 | -87.2, 64.42 | out-out | out | 16.2947 | Saltbr-out | 16.06 | HRD-in | -62.57, -46.0 | 64.99, -4.53 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.7094 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -122.25, 153.26 | APE9-dihe-na | -110.07, 177.24 | APE8-dihe-out | -99.46, -47.43 | APE8-rot-out | 69.24 | APE67-dihe-out | -133.48, 170.62 | -132.77, 150.72 | APE12-dist-out | 17.1114 | APE11-dist-out | 20.5769 | APE10-dist-out | 22.9193 | APE9-dist-out | 13.2707 | S218A,S222A | None | None | EM | 4.3 | 999.0 | 999.0 | B | 414.0 | 314.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 8dgs | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.3e-96 | 329.0 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| TKL | BRAF | BRAF_HUMAN | 8DGSA | P15056 | 155 | 738 | 766.0 | AGS:60801 | ATPlike | Inactive | DFGin | 6.6063 | 13.2375 | BLBplus | -138.09, -166.17 | 58.48, 64.88 | -134.87, 173.46 | 48.16, 90.78 | 58.1, -132.32 | out-out | out | 14.5219 | Saltbr-out | 12.2584 | HRD-in | -71.36, -47.09 | 71.02, -12.92 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.5544 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -160.2, 161.72 | APE9-dihe-na | 103.44, -137.95 | APE8-dihe-in | -102.25, 169.61 | APE8-rot-in | 312.72 | APE67-dihe-in | -64.56, -41.44 | -121.48, -15.09 | APE12-dist-out | 14.0817 | APE11-dist-out | 15.8432 | APE10-dist-out | 12.4597 | APE9-dist-out | 8.209 | None | SEP365,SEP729 | SEP365,SEP729 | EM | 4.3 | 999.0 | 999.0 | A | 805.0 | 427.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 8dgs | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.4e-80 | 277.0 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| 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 |
|---|