| 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 | 6NYBB | Q02750 | 56 | 383 | 393.0 | ADP:60601,LCJ:60901 | ATPlike,Type3 | Inactive | DFGin | 5.9588 | 14.0365 | BLBplus | -152.28, 170.52 | 57.47, 42.76 | -92.93, 161.49 | 47.46, 85.53 | -88.41, 68.49 | out-out | out | 15.4696 | Saltbr-out | 17.6022 | HRD-in | -56.15, -54.04 | 65.39, 11.35 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.2916 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -140.81, 127.27 | APE9-dihe-na | -93.66, 157.79 | APE8-dihe-out | -110.82, -26.16 | APE8-rot-out | 55.56 | APE67-dihe-out | -130.29, 148.43 | -119.13, 133.87 | APE12-dist-out | 17.78 | APE11-dist-out | 18.3191 | APE10-dist-out | 22.3789 | APE9-dist-out | 12.1589 | S218A,S222A | None | None | EM | 4.1 | 999.0 | 999.0 | B | 415.0 | 289.0 | 39 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6nyb | 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 | 6NYBA | P15056 | 233 | 738 | 766.0 | AGS:60801 | ATPlike | Inactive | DFGin | 5.4979 | 13.825 | BLBplus | -130.99, 171.98 | 57.42, 47.58 | -103.38, 154.64 | 56.0, 92.93 | 63.13, -128.72 | out-out | out | 13.8238 | Saltbr-out | 12.6037 | HRD-in | -73.31, -44.18 | 67.31, 1.32 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0654 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -162.22, 166.73 | APE9-dihe-na | 98.18, -110.24 | APE8-dihe-in | -136.25, 146.51 | APE8-rot-out | 61.57 | APE67-dihe-in | -62.67, -27.04 | -119.01, -4.59 | APE12-dist-out | 14.6597 | APE11-dist-out | 15.6406 | APE10-dist-out | 13.8824 | APE9-dist-out | 8.7627 | None | SEP365,SEP729 | SEP365,SEP729 | EM | 4.1 | 999.0 | 999.0 | A | 805.0 | 350.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 6nyb | 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 | 6NYBB | Q02750 | 56 | 383 | 393.0 | ADP:60601,LCJ:60901 | ATPlike,Type3 | Inactive | DFGin | 5.9588 | 14.0365 | BLBplus | -152.28, 170.52 | 57.47, 42.76 | -92.93, 161.49 | 47.46, 85.53 | -88.41, 68.49 | out-out | out | 15.4696 | Saltbr-out | 17.6022 | HRD-in | -56.15, -54.04 | 65.39, 11.35 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.2916 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -140.81, 127.27 | APE9-dihe-na | -93.66, 157.79 | APE8-dihe-out | -110.82, -26.16 | APE8-rot-out | 55.56 | APE67-dihe-out | -130.29, 148.43 | -119.13, 133.87 | APE12-dist-out | 17.78 | APE11-dist-out | 18.3191 | APE10-dist-out | 22.3789 | APE9-dist-out | 12.1589 | S218A,S222A | None | None | EM | 4.1 | 999.0 | 999.0 | B | 415.0 | 289.0 | 39 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6nyb | 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 | 6NYBA | P15056 | 233 | 738 | 766.0 | AGS:60801 | ATPlike | Inactive | DFGin | 5.4979 | 13.825 | BLBplus | -130.99, 171.98 | 57.42, 47.58 | -103.38, 154.64 | 56.0, 92.93 | 63.13, -128.72 | out-out | out | 13.8238 | Saltbr-out | 12.6037 | HRD-in | -73.31, -44.18 | 67.31, 1.32 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0654 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -162.22, 166.73 | APE9-dihe-na | 98.18, -110.24 | APE8-dihe-in | -136.25, 146.51 | APE8-rot-out | 61.57 | APE67-dihe-in | -62.67, -27.04 | -119.01, -4.59 | APE12-dist-out | 14.6597 | APE11-dist-out | 15.6406 | APE10-dist-out | 13.8824 | APE9-dist-out | 8.7627 | None | SEP365,SEP729 | SEP365,SEP729 | EM | 4.1 | 999.0 | 999.0 | A | 805.0 | 350.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 6nyb | 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 |
|---|