| 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 | 6U2GA | Q02750 | 43 | 383 | 393.0 | ACP:901 | ATPlike | Inactive | DFGin | 5.8079 | 13.8406 | BLBplus | -143.7, 174.8 | 53.7, 47.78 | -98.62, 156.52 | 46.78, 97.62 | -76.59, 70.13 | out-out | out | 15.3736 | Saltbr-out | 14.8686 | HRD-in | -83.28, -55.76 | 76.37, -10.26 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.207 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -64.24, 146.48 | APE9-dihe-na | -101.23, -173.03 | APE8-dihe-out | -114.34, -9.62 | APE8-rot-out | 55.71 | APE67-dihe-out | -148.86, 141.69 | -149.81, 176.75 | APE12-dist-out | 19.1865 | APE11-dist-out | 17.9815 | APE10-dist-out | 22.1053 | APE9-dist-out | 12.9996 | None | None | None | XRAY | 2.886 | 0.231 | 0.276 | A | 394.0 | 309.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6u2g | STE_MAP2K1_HUMAN | STE | 2.4e-97 | 331.4 | 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 | 6U2GB | P15056 | 451 | 722 | 766.0 | ACP:901 | ATPlike | Inactive | DFGin | 6.1502 | 13.9094 | BLBplus | -127.14, -173.09 | 46.65, 53.2 | -113.93, 152.92 | 52.73, 94.7 | 72.25, -152.99 | out-out | out | 14.6056 | Saltbr-out | 12.7046 | HRD-in | -59.19, -53.53 | 76.48, -9.73 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.495 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -146.07, 161.59 | APE9-dihe-na | 90.18, -141.72 | APE8-dihe-in | -101.38, 139.04 | APE8-rot-out | 180.97 | APE67-dihe-in | -60.58, -31.67 | -70.85, -22.56 | APE12-dist-out | 15.3356 | APE11-dist-out | 15.7094 | APE10-dist-out | 13.5919 | APE9-dist-out | 9.8922 | None | None | None | XRAY | 2.886 | 0.231 | 0.276 | B | 307.0 | 264.0 | 8 | 30 | 22 | 8 | [[457, 716]] | 1.0 | 6u2g | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 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 | 6U2GA | Q02750 | 43 | 383 | 393.0 | ACP:901 | ATPlike | Inactive | DFGin | 5.8079 | 13.8406 | BLBplus | -143.7, 174.8 | 53.7, 47.78 | -98.62, 156.52 | 46.78, 97.62 | -76.59, 70.13 | out-out | out | 15.3736 | Saltbr-out | 14.8686 | HRD-in | -83.28, -55.76 | 76.37, -10.26 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.207 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -64.24, 146.48 | APE9-dihe-na | -101.23, -173.03 | APE8-dihe-out | -114.34, -9.62 | APE8-rot-out | 55.71 | APE67-dihe-out | -148.86, 141.69 | -149.81, 176.75 | APE12-dist-out | 19.1865 | APE11-dist-out | 17.9815 | APE10-dist-out | 22.1053 | APE9-dist-out | 12.9996 | None | None | None | XRAY | 2.886 | 0.231 | 0.276 | A | 394.0 | 309.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6u2g | Homo sapiens | STE_MAP2K1_HUMAN | STE | 2.4e-97 | 331.4 | 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 | 6U2GB | P15056 | 451 | 722 | 766.0 | ACP:901 | ATPlike | Inactive | DFGin | 6.1502 | 13.9094 | BLBplus | -127.14, -173.09 | 46.65, 53.2 | -113.93, 152.92 | 52.73, 94.7 | 72.25, -152.99 | out-out | out | 14.6056 | Saltbr-out | 12.7046 | HRD-in | -59.19, -53.53 | 76.48, -9.73 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.495 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -146.07, 161.59 | APE9-dihe-na | 90.18, -141.72 | APE8-dihe-in | -101.38, 139.04 | APE8-rot-out | 180.97 | APE67-dihe-in | -60.58, -31.67 | -70.85, -22.56 | APE12-dist-out | 15.3356 | APE11-dist-out | 15.7094 | APE10-dist-out | 13.5919 | APE9-dist-out | 9.8922 | None | None | None | XRAY | 2.886 | 0.231 | 0.276 | B | 307.0 | 264.0 | 8 | 30 | 22 | 8 | [[457, 716]] | 1.0 | 6u2g | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 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 |
|---|