| 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 | 9AXMC | Q02750 | 43 | 376 | 393.0 | A1AHE:60401 | Type1 | Inactive | DFGin | 6.668 | 14.1318 | BLBplus | -150.29, 169.67 | 59.1, 61.29 | -116.51, 166.39 | 40.92, 86.38 | -72.68, 94.97 | out-none | out | 15.3794 | Saltbr-none | 999.0 | HRD-in | -102.21, -42.14 | 67.4, -10.68 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.7501 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -64.72, 121.05 | APE9-dihe-na | -67.96, 179.71 | APE8-dihe-out | -110.15, -27.15 | APE8-rot-out | 56.89 | APE67-dihe-out | -127.4, 134.54 | -138.28, 164.48 | APE12-dist-out | 17.1619 | APE11-dist-out | 22.1776 | APE10-dist-out | 24.2389 | APE9-dist-out | 13.2396 | S218A,S222A | None | None | XRAY | 2.42 | 0.263 | 0.301 | C | 310.0 | 290.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axm | STE_MAP2K1_HUMAN | STE | 6.5e-98 | 333.1 | 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 | 9AXMA | Q02750 | 38 | 382 | 393.0 | A1AHE:60401,ANP:60403 | Type1,ATPlike | Inactive | DFGin | 6.2039 | 13.9992 | BLBplus | -146.84, 170.95 | 57.84, 58.3 | -113.46, 158.4 | 47.1, 81.42 | -71.93, 78.64 | out-out | out | 15.4263 | Saltbr-out | 15.5133 | HRD-in | -80.25, -54.29 | 71.05, 3.5 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.1102 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -58.81, 135.38 | APE9-dihe-na | -86.44, -174.93 | APE8-dihe-out | -114.7, -19.48 | APE8-rot-out | 61.33 | APE67-dihe-out | -156.42, 133.96 | -137.25, 175.14 | APE12-dist-out | 17.3471 | APE11-dist-out | 22.1228 | APE10-dist-out | 24.2234 | APE9-dist-out | 13.2409 | S218A,S222A | None | None | XRAY | 2.42 | 0.263 | 0.301 | A | 310.0 | 301.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axm | STE_MAP2K1_HUMAN | STE | 6.5e-98 | 333.1 | 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 | ARAF | ARAF_HUMAN | 9AXMD | P10398 | 300 | 574 | 606.0 | No_ligand | No_ligand | Inactive | DFGin | 6.537 | 14.4563 | BLAminus | -133.64, -166.34 | 58.44, 74.82 | -99.18, 20.43 | 290.62, 78.99 | -62.21, -22.23 | in-in | in | 9.3021 | Saltbr-in | 2.6289 | HRD-in | -62.72, -38.43 | 67.46, -0.31 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1368 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -179.95 | APE8-rot-out | 175.83 | APE67-dihe-in | -65.41, -27.15 | -90.86, -15.57 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | Y301D,Y302D | None | None | XRAY | 2.42 | 0.263 | 0.301 | D | 280.0 | 256.0 | 19 | 30 | 16 | 14 | [[310, 569]] | 1.0 | 9axm | TKL_ARAF_HUMAN | TKL | 1.1e-77 | 267.1 | 2.0 | 266.0 | 265.0 | 446 | 447 | 448 | 450 | 452 | 336 | 354 | 358 | 426 | 428 | 427 | 429.0 | 491 | 476 | 471 | 470 | 469 | 468 | 467 | 466 | 465 | 383 | Serine/threonine-protein kinase A-Raf |
| TKL | ARAF | ARAF_HUMAN | 9AXMB | P10398 | 302 | 574 | 606.0 | ANP:60602 | ATPlike | Inactive | DFGin | 4.5967 | 13.3268 | BLBplus | -134.26, 172.61 | 61.7, 46.72 | -103.54, 150.88 | 54.31, 89.4 | 54.71, 36.64 | out-out | out | 11.556 | Saltbr-out | 10.4941 | HRD-in | -66.55, -46.59 | 76.65, -12.19 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnni | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -153.94 | APE8-dihe-in | -77.25, 142.54 | APE8-rot-out | 182.59 | APE67-dihe-in | -67.09, -22.55 | -72.82, -26.45 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-in | 5.5235 | Y301D,Y302D | None | None | XRAY | 2.42 | 0.263 | 0.301 | B | 280.0 | 254.0 | 19 | 30 | 13 | 17 | [[310, 569]] | 1.0 | 9axm | TKL_ARAF_HUMAN | TKL | 1.1e-77 | 267.1 | 2.0 | 266.0 | 265.0 | 446 | 447 | 448 | 450 | 452 | 336 | 354 | 358 | 426 | 428 | 427 | 429.0 | 491 | 476 | 471 | 470 | 469 | 468 | 467 | 466 | 465 | 383 | Serine/threonine-protein kinase A-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 | 9AXMC | Q02750 | 43 | 376 | 393.0 | A1AHE:60401 | Type1 | Inactive | DFGin | 6.668 | 14.1318 | BLBplus | -150.29, 169.67 | 59.1, 61.29 | -116.51, 166.39 | 40.92, 86.38 | -72.68, 94.97 | out-none | out | 15.3794 | Saltbr-none | 999.0 | HRD-in | -102.21, -42.14 | 67.4, -10.68 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.7501 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -64.72, 121.05 | APE9-dihe-na | -67.96, 179.71 | APE8-dihe-out | -110.15, -27.15 | APE8-rot-out | 56.89 | APE67-dihe-out | -127.4, 134.54 | -138.28, 164.48 | APE12-dist-out | 17.1619 | APE11-dist-out | 22.1776 | APE10-dist-out | 24.2389 | APE9-dist-out | 13.2396 | S218A,S222A | None | None | XRAY | 2.42 | 0.263 | 0.301 | C | 310.0 | 290.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axm | Homo sapiens | STE_MAP2K1_HUMAN | STE | 6.5e-98 | 333.1 | 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 | 9AXMA | Q02750 | 38 | 382 | 393.0 | A1AHE:60401,ANP:60403 | Type1,ATPlike | Inactive | DFGin | 6.2039 | 13.9992 | BLBplus | -146.84, 170.95 | 57.84, 58.3 | -113.46, 158.4 | 47.1, 81.42 | -71.93, 78.64 | out-out | out | 15.4263 | Saltbr-out | 15.5133 | HRD-in | -80.25, -54.29 | 71.05, 3.5 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.1102 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -58.81, 135.38 | APE9-dihe-na | -86.44, -174.93 | APE8-dihe-out | -114.7, -19.48 | APE8-rot-out | 61.33 | APE67-dihe-out | -156.42, 133.96 | -137.25, 175.14 | APE12-dist-out | 17.3471 | APE11-dist-out | 22.1228 | APE10-dist-out | 24.2234 | APE9-dist-out | 13.2409 | S218A,S222A | None | None | XRAY | 2.42 | 0.263 | 0.301 | A | 310.0 | 301.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axm | Homo sapiens | STE_MAP2K1_HUMAN | STE | 6.5e-98 | 333.1 | 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 | ARAF | ARAF_HUMAN | 9AXMD | P10398 | 300 | 574 | 606.0 | No_ligand | No_ligand | Inactive | DFGin | 6.537 | 14.4563 | BLAminus | -133.64, -166.34 | 58.44, 74.82 | -99.18, 20.43 | 290.62, 78.99 | -62.21, -22.23 | in-in | in | 9.3021 | Saltbr-in | 2.6289 | HRD-in | -62.72, -38.43 | 67.46, -0.31 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1368 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -179.95 | APE8-rot-out | 175.83 | APE67-dihe-in | -65.41, -27.15 | -90.86, -15.57 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | Y301D,Y302D | None | None | XRAY | 2.42 | 0.263 | 0.301 | D | 280.0 | 256.0 | 19 | 30 | 16 | 14 | [[310, 569]] | 1.0 | 9axm | Homo sapiens | TKL_ARAF_HUMAN | TKL | 1.1e-77 | 267.1 | 2.0 | 266.0 | 265.0 | 446 | 447 | 448 | 450 | 452 | 336 | 354 | 358 | 426 | 428 | 427 | 429.0 | 491 | 476 | 471 | 470 | 469 | 468 | 467 | 466 | 465 | 383 | Serine/threonine-protein kinase A-Raf |
| TKL | ARAF | ARAF_HUMAN | 9AXMB | P10398 | 302 | 574 | 606.0 | ANP:60602 | ATPlike | Inactive | DFGin | 4.5967 | 13.3268 | BLBplus | -134.26, 172.61 | 61.7, 46.72 | -103.54, 150.88 | 54.31, 89.4 | 54.71, 36.64 | out-out | out | 11.556 | Saltbr-out | 10.4941 | HRD-in | -66.55, -46.59 | 76.65, -12.19 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnni | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -153.94 | APE8-dihe-in | -77.25, 142.54 | APE8-rot-out | 182.59 | APE67-dihe-in | -67.09, -22.55 | -72.82, -26.45 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-in | 5.5235 | Y301D,Y302D | None | None | XRAY | 2.42 | 0.263 | 0.301 | B | 280.0 | 254.0 | 19 | 30 | 13 | 17 | [[310, 569]] | 1.0 | 9axm | Homo sapiens | TKL_ARAF_HUMAN | TKL | 1.1e-77 | 267.1 | 2.0 | 266.0 | 265.0 | 446 | 447 | 448 | 450 | 452 | 336 | 354 | 358 | 426 | 428 | 427 | 429.0 | 491 | 476 | 471 | 470 | 469 | 468 | 467 | 466 | 465 | 383 | Serine/threonine-protein kinase A-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 |
|---|