| 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 | 9MMPB | Q02750 | 62 | 380 | 393.0 | AGS:60701,LCJ:60702 | ATPlike,Type3 | Inactive | DFGin | 6.4937 | 13.7015 | BLBplus | -142.17, 163.3 | 59.56, 65.37 | -113.14, 157.69 | 39.56, 95.33 | -79.99, 73.26 | out-out | out | 15.7564 | Saltbr-out | 16.3325 | HRD-in | -69.63, -60.91 | 71.6, -9.27 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.0011 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -73.57, 130.1 | APE9-dihe-na | -94.62, 178.33 | APE8-dihe-out | -96.1, -46.02 | APE8-rot-in | 278.39 | APE67-dihe-out | -136.63, 147.99 | -117.77, 157.18 | APE12-dist-out | 17.2275 | APE11-dist-out | 22.2405 | APE10-dist-out | 24.3959 | APE9-dist-out | 13.7692 | S218A,S222A | None | None | EM | 3.4 | 999.0 | 999.0 | B | 415.0 | 279.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9mmp | 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 | 9MMPA | P04049 | 138 | 630 | 648.0 | AGS:60701 | ATPlike | Inactive | DFGin | 6.1073 | 13.2684 | BLBplus | -130.39, 177.17 | 56.68, 47.87 | -99.84, 149.88 | 40.92, 87.91 | 73.17, -140.77 | out-out | out | 14.3612 | Saltbr-out | 12.3822 | HRD-out | -74.8, 81.36 | -67.74, 154.91 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.1666 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -156.54, 146.13 | APE9-dihe-na | 117.78, -173.39 | APE8-dihe-in | -67.5, 146.42 | APE8-rot-in | 282.71 | APE67-dihe-in | -62.97, -41.04 | -80.62, -35.94 | APE12-dist-out | 14.2949 | APE11-dist-out | 14.3656 | APE10-dist-out | 10.6756 | APE9-dist-out | 7.9092 | Q156R,D587E | SEP259,SEP621 | SEP259,SEP621 | EM | 3.4 | 999.0 | 999.0 | A | 683.0 | 348.0 | 0 | 30 | 30 | 0 | [[349, 608]] | 1.0 | 9mmp | 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 | 9MMPB | Q02750 | 62 | 380 | 393.0 | AGS:60701,LCJ:60702 | ATPlike,Type3 | Inactive | DFGin | 6.4937 | 13.7015 | BLBplus | -142.17, 163.3 | 59.56, 65.37 | -113.14, 157.69 | 39.56, 95.33 | -79.99, 73.26 | out-out | out | 15.7564 | Saltbr-out | 16.3325 | HRD-in | -69.63, -60.91 | 71.6, -9.27 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.0011 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -73.57, 130.1 | APE9-dihe-na | -94.62, 178.33 | APE8-dihe-out | -96.1, -46.02 | APE8-rot-in | 278.39 | APE67-dihe-out | -136.63, 147.99 | -117.77, 157.18 | APE12-dist-out | 17.2275 | APE11-dist-out | 22.2405 | APE10-dist-out | 24.3959 | APE9-dist-out | 13.7692 | S218A,S222A | None | None | EM | 3.4 | 999.0 | 999.0 | B | 415.0 | 279.0 | 40 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9mmp | 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 | 9MMPA | P04049 | 138 | 630 | 648.0 | AGS:60701 | ATPlike | Inactive | DFGin | 6.1073 | 13.2684 | BLBplus | -130.39, 177.17 | 56.68, 47.87 | -99.84, 149.88 | 40.92, 87.91 | 73.17, -140.77 | out-out | out | 14.3612 | Saltbr-out | 12.3822 | HRD-out | -74.8, 81.36 | -67.74, 154.91 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.1666 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -156.54, 146.13 | APE9-dihe-na | 117.78, -173.39 | APE8-dihe-in | -67.5, 146.42 | APE8-rot-in | 282.71 | APE67-dihe-in | -62.97, -41.04 | -80.62, -35.94 | APE12-dist-out | 14.2949 | APE11-dist-out | 14.3656 | APE10-dist-out | 10.6756 | APE9-dist-out | 7.9092 | Q156R,D587E | SEP259,SEP621 | SEP259,SEP621 | EM | 3.4 | 999.0 | 999.0 | A | 683.0 | 348.0 | 0 | 30 | 30 | 0 | [[349, 608]] | 1.0 | 9mmp | 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 |
|---|