| 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 | 6Q0JC | Q02750 | 43 | 379 | 393.0 | LCJ:60402,AGS:60403 | Type1,ATPlike | Inactive | None | 999.0 | 999.0 | None | -140.59, 176.71 | 54.64, 28.27 | -81.59, 161.59 | 999.0, 999.0 | -81.72, 72.97 | out-none | out | 15.4979 | Saltbr-none | 999.0 | HRD-in | -63.96, -56.51 | 90.23, -35.02 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.2895 | ActLoopCT-out | nonTYR | APEdihe_aaono | APEdist_oooo | APE10-dihe-na | -73.68, 137.68 | APE9-dihe-na | -84.7, 179.01 | APE8-dihe-out | -112.95, -24.41 | APE8-rot-none | 999.0 | APE67-dihe-out | -153.48, 146.63 | -142.35, -172.44 | APE12-dist-out | 17.1558 | APE11-dist-out | 21.6526 | APE10-dist-out | 23.7977 | APE9-dist-out | 13.4984 | S218A,S222A | None | None | EM | 4.9 | 999.0 | 999.0 | C | 415.0 | 306.0 | 31 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6q0j | 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 |
| STE | MAP2K1 | MP2K1_HUMAN | 6Q0JD | Q02750 | 43 | 379 | 393.0 | LCJ:60402,AGS:60403 | Type1,ATPlike | Inactive | None | 999.0 | 999.0 | None | -140.57, 176.69 | 54.62, 28.33 | -81.6, 161.59 | 999.0, 999.0 | -81.66, 72.9 | out-none | out | 15.4977 | Saltbr-none | 999.0 | HRD-in | -63.9, -56.54 | 90.23, -35.02 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.2893 | ActLoopCT-out | nonTYR | APEdihe_aaono | APEdist_oooo | APE10-dihe-na | -73.75, 137.67 | APE9-dihe-na | -84.68, 179.02 | APE8-dihe-out | -112.95, -24.44 | APE8-rot-none | 999.0 | APE67-dihe-out | -153.47, 146.64 | -142.36, -172.48 | APE12-dist-out | 17.1558 | APE11-dist-out | 21.6536 | APE10-dist-out | 23.7977 | APE9-dist-out | 13.4991 | S218A,S222A | None | None | EM | 4.9 | 999.0 | 999.0 | D | 415.0 | 306.0 | 31 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6q0j | 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 | 6Q0JA | P15056 | 449 | 733 | 766.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -125.75, -157.37 | 46.77, 85.74 | -102.95, 25.57 | 999.0, 999.0 | -59.98, -20.53 | in-none | in | 8.8117 | Saltbr-none | 999.0 | HRD-in | -72.62, -45.55 | 71.04, -1.27 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.8637 | ActLoopCT-out | nonTYR | APEdihe_aaini | APEdist_iioi | APE10-dihe-na | -136.58, 156.58 | APE9-dihe-na | 140.45, 169.19 | APE8-dihe-in | -83.63, 130.47 | APE8-rot-none | 999.0 | APE67-dihe-in | -60.99, -19.46 | -69.8, -34.98 | APE12-dist-in | 12.0054 | APE11-dist-in | 11.4706 | APE10-dist-out | 8.1123 | APE9-dist-in | 5.6077 | S365A | SEP729 | SEP729 | EM | 4.9 | 999.0 | 999.0 | A | 805.0 | 281.0 | 4 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 6q0j | 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 |
| TKL | BRAF | BRAF_HUMAN | 6Q0JB | P15056 | 449 | 734 | 766.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -125.77, -157.3 | 46.62, 85.83 | -103.01, 25.5 | 999.0, 999.0 | -59.84, -20.56 | in-none | in | 8.8122 | Saltbr-none | 999.0 | HRD-in | -72.72, -45.58 | 70.9, -1.18 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.8649 | ActLoopCT-out | nonTYR | APEdihe_aaini | APEdist_iioi | APE10-dihe-na | -136.54, 156.42 | APE9-dihe-na | 140.6, 169.11 | APE8-dihe-in | -83.47, 130.71 | APE8-rot-none | 999.0 | APE67-dihe-in | -60.7, -19.7 | -69.93, -35.05 | APE12-dist-in | 12.0059 | APE11-dist-in | 11.4714 | APE10-dist-out | 8.1123 | APE9-dist-in | 5.6072 | S365A | SEP729 | SEP729 | EM | 4.9 | 999.0 | 999.0 | B | 805.0 | 282.0 | 4 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 6q0j | 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 | 6Q0JC | Q02750 | 43 | 379 | 393.0 | LCJ:60402,AGS:60403 | Type1,ATPlike | Inactive | None | 999.0 | 999.0 | None | -140.59, 176.71 | 54.64, 28.27 | -81.59, 161.59 | 999.0, 999.0 | -81.72, 72.97 | out-none | out | 15.4979 | Saltbr-none | 999.0 | HRD-in | -63.96, -56.51 | 90.23, -35.02 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.2895 | ActLoopCT-out | nonTYR | APEdihe_aaono | APEdist_oooo | APE10-dihe-na | -73.68, 137.68 | APE9-dihe-na | -84.7, 179.01 | APE8-dihe-out | -112.95, -24.41 | APE8-rot-none | 999.0 | APE67-dihe-out | -153.48, 146.63 | -142.35, -172.44 | APE12-dist-out | 17.1558 | APE11-dist-out | 21.6526 | APE10-dist-out | 23.7977 | APE9-dist-out | 13.4984 | S218A,S222A | None | None | EM | 4.9 | 999.0 | 999.0 | C | 415.0 | 306.0 | 31 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6q0j | 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 |
| STE | MAP2K1 | MP2K1_HUMAN | 6Q0JD | Q02750 | 43 | 379 | 393.0 | LCJ:60402,AGS:60403 | Type1,ATPlike | Inactive | None | 999.0 | 999.0 | None | -140.57, 176.69 | 54.62, 28.33 | -81.6, 161.59 | 999.0, 999.0 | -81.66, 72.9 | out-none | out | 15.4977 | Saltbr-none | 999.0 | HRD-in | -63.9, -56.54 | 90.23, -35.02 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.2893 | ActLoopCT-out | nonTYR | APEdihe_aaono | APEdist_oooo | APE10-dihe-na | -73.75, 137.67 | APE9-dihe-na | -84.68, 179.02 | APE8-dihe-out | -112.95, -24.44 | APE8-rot-none | 999.0 | APE67-dihe-out | -153.47, 146.64 | -142.36, -172.48 | APE12-dist-out | 17.1558 | APE11-dist-out | 21.6536 | APE10-dist-out | 23.7977 | APE9-dist-out | 13.4991 | S218A,S222A | None | None | EM | 4.9 | 999.0 | 999.0 | D | 415.0 | 306.0 | 31 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6q0j | 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 | 6Q0JA | P15056 | 449 | 733 | 766.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -125.75, -157.37 | 46.77, 85.74 | -102.95, 25.57 | 999.0, 999.0 | -59.98, -20.53 | in-none | in | 8.8117 | Saltbr-none | 999.0 | HRD-in | -72.62, -45.55 | 71.04, -1.27 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.8637 | ActLoopCT-out | nonTYR | APEdihe_aaini | APEdist_iioi | APE10-dihe-na | -136.58, 156.58 | APE9-dihe-na | 140.45, 169.19 | APE8-dihe-in | -83.63, 130.47 | APE8-rot-none | 999.0 | APE67-dihe-in | -60.99, -19.46 | -69.8, -34.98 | APE12-dist-in | 12.0054 | APE11-dist-in | 11.4706 | APE10-dist-out | 8.1123 | APE9-dist-in | 5.6077 | S365A | SEP729 | SEP729 | EM | 4.9 | 999.0 | 999.0 | A | 805.0 | 281.0 | 4 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 6q0j | 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 |
| TKL | BRAF | BRAF_HUMAN | 6Q0JB | P15056 | 449 | 734 | 766.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -125.77, -157.3 | 46.62, 85.83 | -103.01, 25.5 | 999.0, 999.0 | -59.84, -20.56 | in-none | in | 8.8122 | Saltbr-none | 999.0 | HRD-in | -72.72, -45.58 | 70.9, -1.18 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.8649 | ActLoopCT-out | nonTYR | APEdihe_aaini | APEdist_iioi | APE10-dihe-na | -136.54, 156.42 | APE9-dihe-na | 140.6, 169.11 | APE8-dihe-in | -83.47, 130.71 | APE8-rot-none | 999.0 | APE67-dihe-in | -60.7, -19.7 | -69.93, -35.05 | APE12-dist-in | 12.0059 | APE11-dist-in | 11.4714 | APE10-dist-out | 8.1123 | APE9-dist-in | 5.6072 | S365A | SEP729 | SEP729 | EM | 4.9 | 999.0 | 999.0 | B | 805.0 | 282.0 | 4 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 6q0j | 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 |
|---|