| 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 | 9MMRB | Q02750 | 62 | 380 | 393.0 | AGS:60701,LCJ:60703 | ATPlike,Type3 | Inactive | DFGin | 6.847 | 13.5448 | BLBplus | -144.47, 166.22 | 62.86, 45.64 | -102.79, 155.22 | 38.56, 95.23 | -78.03, 72.6 | out-out | out | 15.3255 | Saltbr-out | 15.7338 | HRD-in | -59.38, -50.94 | 68.52, -2.49 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9519 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -61.82, 155.36 | APE9-dihe-na | -107.83, -179.82 | APE8-dihe-out | -105.89, -53.41 | APE8-rot-in | 308.85 | APE67-dihe-out | -136.82, 148.35 | -127.86, 156.49 | APE12-dist-out | 17.0348 | APE11-dist-out | 22.0064 | APE10-dist-out | 24.0306 | APE9-dist-out | 13.5803 | S218A,S222A | None | None | EM | 3.9 | 999.0 | 999.0 | B | 415.0 | 279.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9mmr | 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 | RAF1 | RAF1_HUMAN | 9MMRA | P04049 | 343 | 625 | 648.0 | AGS:60701 | ATPlike | Inactive | DFGin | 5.4464 | 13.6261 | BLBplus | -135.09, 172.16 | 58.87, 36.16 | -92.53, 159.81 | 52.16, 102.21 | 63.65, -134.37 | out-out | out | 13.8632 | Saltbr-out | 12.3622 | HRD-out | -74.45, 80.03 | -68.85, 163.44 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.7183 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -153.07, 160.07 | APE9-dihe-na | 91.95, -174.93 | APE8-dihe-in | -63.61, 140.51 | APE8-rot-in | 299.95 | APE67-dihe-in | -59.35, -38.77 | -86.72, -25.37 | APE12-dist-out | 15.0543 | APE11-dist-out | 14.7515 | APE10-dist-out | 11.0339 | APE9-dist-out | 8.4046 | Q156R,Y340D,Y341D,D587E | SEP621 | SEP621 | EM | 3.9 | 999.0 | 999.0 | A | 681.0 | 283.0 | 0 | 30 | 30 | 0 | [[349, 608]] | 1.0 | 9mmr | TKL_RAF1_HUMAN | TKL | 2e-80 | 276.3 | 3.0 | 266.0 | 264.0 | 485 | 486 | 487 | 489 | 491 | 375 | 393 | 397 | 465 | 467 | 466 | 468.0 | 530 | 515 | 510 | 509 | 508 | 507 | 506 | 505 | 504 | 422 | RAF proto-oncogene serine/threonine-protein kinase |
| 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 | 9MMRB | Q02750 | 62 | 380 | 393.0 | AGS:60701,LCJ:60703 | ATPlike,Type3 | Inactive | DFGin | 6.847 | 13.5448 | BLBplus | -144.47, 166.22 | 62.86, 45.64 | -102.79, 155.22 | 38.56, 95.23 | -78.03, 72.6 | out-out | out | 15.3255 | Saltbr-out | 15.7338 | HRD-in | -59.38, -50.94 | 68.52, -2.49 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9519 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -61.82, 155.36 | APE9-dihe-na | -107.83, -179.82 | APE8-dihe-out | -105.89, -53.41 | APE8-rot-in | 308.85 | APE67-dihe-out | -136.82, 148.35 | -127.86, 156.49 | APE12-dist-out | 17.0348 | APE11-dist-out | 22.0064 | APE10-dist-out | 24.0306 | APE9-dist-out | 13.5803 | S218A,S222A | None | None | EM | 3.9 | 999.0 | 999.0 | B | 415.0 | 279.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9mmr | 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 | RAF1 | RAF1_HUMAN | 9MMRA | P04049 | 343 | 625 | 648.0 | AGS:60701 | ATPlike | Inactive | DFGin | 5.4464 | 13.6261 | BLBplus | -135.09, 172.16 | 58.87, 36.16 | -92.53, 159.81 | 52.16, 102.21 | 63.65, -134.37 | out-out | out | 13.8632 | Saltbr-out | 12.3622 | HRD-out | -74.45, 80.03 | -68.85, 163.44 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.7183 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -153.07, 160.07 | APE9-dihe-na | 91.95, -174.93 | APE8-dihe-in | -63.61, 140.51 | APE8-rot-in | 299.95 | APE67-dihe-in | -59.35, -38.77 | -86.72, -25.37 | APE12-dist-out | 15.0543 | APE11-dist-out | 14.7515 | APE10-dist-out | 11.0339 | APE9-dist-out | 8.4046 | Q156R,Y340D,Y341D,D587E | SEP621 | SEP621 | EM | 3.9 | 999.0 | 999.0 | A | 681.0 | 283.0 | 0 | 30 | 30 | 0 | [[349, 608]] | 1.0 | 9mmr | Homo sapiens | TKL_RAF1_HUMAN | TKL | 2e-80 | 276.3 | 3.0 | 266.0 | 264.0 | 485 | 486 | 487 | 489 | 491 | 375 | 393 | 397 | 465 | 467 | 466 | 468.0 | 530 | 515 | 510 | 509 | 508 | 507 | 506 | 505 | 504 | 422 | RAF proto-oncogene serine/threonine-protein kinase |
| 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 |
|---|