| 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 | 9O0UB | Q02750 | 30 | 380 | 393.0 | CHU:401 | Type1 | Inactive | DFGin | 6.1693 | 14.0852 | BLBplus | -152.21, 168.43 | 59.39, 48.73 | -101.51, 163.52 | 46.19, 86.69 | -79.7, 84.36 | out-out | out | 15.4302 | Saltbr-out | 16.8168 | HRD-in | -71.69, -48.17 | 74.87, -6.64 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.681 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -135.55, 157.08 | APE9-dihe-na | -122.47, 145.42 | APE8-dihe-out | -102.69, -27.28 | APE8-rot-in | 280.53 | APE67-dihe-out | -148.15, 135.27 | -137.0, 174.84 | APE12-dist-out | 16.861 | APE11-dist-out | 17.0165 | APE10-dist-out | 21.8105 | APE9-dist-out | 12.4425 | S218A,S222A | None | None | XRAY | 2.91 | 0.232 | 0.264 | B | 395.0 | 322.0 | 29 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9o0u | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 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 | 9O0UH | Q02750 | 30 | 380 | 393.0 | CHU:401,ANP:402 | Type1,ATPlike | Inactive | DFGin | 6.2263 | 14.2396 | BLBplus | -153.68, 170.44 | 61.41, 47.24 | -102.95, 164.39 | 45.69, 94.01 | -79.55, 83.41 | out-out | out | 15.5809 | Saltbr-out | 15.7853 | HRD-in | -74.86, -48.68 | 73.9, -6.25 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.583 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -141.84, 152.52 | APE9-dihe-na | -130.16, 177.33 | APE8-dihe-out | -105.34, -25.09 | APE8-rot-out | 37.73 | APE67-dihe-out | -147.39, 136.35 | -136.55, 176.51 | APE12-dist-out | 17.387 | APE11-dist-out | 17.659 | APE10-dist-out | 22.2151 | APE9-dist-out | 12.9967 | S218A,S222A | None | None | XRAY | 2.91 | 0.232 | 0.264 | H | 395.0 | 315.0 | 36 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9o0u | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 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 | 9O0UD | Q02750 | 31 | 380 | 393.0 | CHU:401 | Type3 | Inactive | DFGin | 6.2577 | 14.2452 | BLBplus | -155.2, 170.07 | 62.24, 48.49 | -103.46, 163.38 | 44.86, 81.23 | -80.64, 82.9 | out-out | out | 15.8042 | Saltbr-out | 15.5601 | HRD-in | -72.61, -47.48 | 72.0, -5.51 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.507 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -145.99, 151.57 | APE9-dihe-na | -129.02, 151.01 | APE8-dihe-out | -101.49, -25.69 | APE8-rot-in | 295.14 | APE67-dihe-out | -149.54, 133.77 | -134.81, 174.59 | APE12-dist-out | 17.407 | APE11-dist-out | 17.5585 | APE10-dist-out | 22.6481 | APE9-dist-out | 12.7538 | S218A,S222A | None | None | XRAY | 2.91 | 0.232 | 0.264 | D | 395.0 | 317.0 | 33 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9o0u | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 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 | 9O0UF | Q02750 | 30 | 380 | 393.0 | CHU:401 | Type3 | Inactive | DFGin | 6.24 | 14.2415 | BLBplus | -149.4, 162.55 | 67.26, 47.9 | -103.2, 163.92 | 46.52, 88.85 | -79.29, 85.22 | out-out | out | 15.5394 | Saltbr-out | 16.2358 | HRD-in | -74.73, -46.69 | 72.92, -6.37 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.8344 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -124.83, 125.43 | APE9-dihe-na | -156.49, 116.77 | APE8-dihe-out | -98.23, -8.63 | APE8-rot-in | 320.21 | APE67-dihe-out | -147.81, 133.84 | -133.15, 172.65 | APE12-dist-out | 18.6641 | APE11-dist-out | 16.7859 | APE10-dist-out | 21.1732 | APE9-dist-out | 12.5375 | S218A,S222A | None | None | XRAY | 2.91 | 0.232 | 0.264 | F | 395.0 | 322.0 | 29 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9o0u | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 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 | 9O0UG | P04049 | 341 | 614 | 648.0 | 324:701 | Type1 | Inactive | DFGin | 6.6427 | 14.5362 | BLAminus | -137.03, -164.72 | 64.05, 59.07 | -91.31, 23.03 | 298.27, 111.42 | -70.02, -22.85 | in-in | in | 8.466 | Saltbr-in | 2.7929 | HRD-in | -67.69, -46.18 | 73.87, -6.26 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.4083 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | -147.61, -172.9 | APE9-dihe-na | 96.11, -111.47 | APE8-dihe-in | -121.52, 159.07 | APE8-rot-out | 179.33 | APE67-dihe-in | -61.77, -27.13 | -108.62, -7.48 | APE12-dist-in | 9.3284 | APE11-dist-in | 9.0351 | APE10-dist-out | 10.4777 | APE9-dist-out | 9.744 | Y340D,Y341D | None | None | XRAY | 2.91 | 0.232 | 0.264 | G | 280.0 | 265.0 | 9 | 30 | 21 | 9 | [[349, 608]] | 1.0 | 9o0u | TKL_RAF1_HUMAN | TKL | 2.6e-81 | 279.0 | 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 |
| TKL | RAF1 | RAF1_HUMAN | 9O0UE | P04049 | 339 | 613 | 648.0 | 324:701 | Type1.5_Back | Inactive | DFGin | 5.9555 | 13.4189 | BLAplus | -138.96, -169.14 | 62.02, 34.27 | -105.27, 31.97 | 55.75, 93.21 | -64.59, -47.5 | out-none | out | 11.6319 | Saltbr-none | 999.0 | HRD-in | -66.55, -46.99 | 72.02, -8.83 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -79.43 | APE8-dihe-in | -132.83, 160.57 | APE8-rot-out | 180.68 | APE67-dihe-in | -62.16, -27.71 | -107.14, -6.5 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.74 | Y340D,Y341D | None | None | XRAY | 2.91 | 0.232 | 0.264 | E | 280.0 | 258.0 | 17 | 30 | 13 | 17 | [[349, 608]] | 1.0 | 9o0u | TKL_RAF1_HUMAN | TKL | 2.6e-81 | 279.0 | 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 |
| TKL | RAF1 | RAF1_HUMAN | 9O0UC | P04049 | 339 | 614 | 648.0 | 324:701 | Type1 | Inactive | DFGin | 6.4118 | 14.92 | BLBminus | -135.2, -162.93 | 65.39, 47.79 | -89.17, 153.49 | 305.13, 119.24 | 148.83, -36.3 | in-in | in | 8.1119 | Saltbr-in | 3.1081 | HRD-in | -65.51, -42.52 | 74.23, -8.63 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2736 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, -140.95 | APE9-dihe-na | 87.04, -108.57 | APE8-dihe-in | -126.35, 163.82 | APE8-rot-out | 179.91 | APE67-dihe-in | -66.05, -28.24 | -108.28, -15.46 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 9.537 | APE9-dist-out | 7.8436 | Y340D,Y341D | None | None | XRAY | 2.91 | 0.232 | 0.264 | C | 280.0 | 264.0 | 12 | 30 | 18 | 12 | [[349, 608]] | 1.0 | 9o0u | TKL_RAF1_HUMAN | TKL | 2.6e-81 | 279.0 | 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 |
| TKL | RAF1 | RAF1_HUMAN | 9O0UA | P04049 | 339 | 612 | 648.0 | 324:701 | Type1.5_Back | Inactive | DFGin | 5.49 | 13.4253 | BLBplus | -137.77, -168.21 | 60.54, 23.67 | -97.39, 164.85 | 62.85, 94.03 | 74.33, 173.3 | out-none | out | 11.6361 | Saltbr-none | 999.0 | HRD-in | -67.32, -47.26 | 72.53, -10.19 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 8.5215 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -79.91, 164.26 | APE9-dihe-na | 133.94, -179.25 | APE8-dihe-in | -151.13, 161.47 | APE8-rot-out | 181.14 | APE67-dihe-in | -63.28, -28.75 | -107.76, -7.41 | APE12-dist-out | 21.2876 | APE11-dist-out | 15.3594 | APE10-dist-out | 15.2178 | APE9-dist-out | 10.0158 | Y340D,Y341D | None | None | XRAY | 2.91 | 0.232 | 0.264 | A | 280.0 | 267.0 | 7 | 30 | 23 | 7 | [[349, 608]] | 1.0 | 9o0u | TKL_RAF1_HUMAN | TKL | 2.6e-81 | 279.0 | 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 | 9O0UB | Q02750 | 30 | 380 | 393.0 | CHU:401 | Type1 | Inactive | DFGin | 6.1693 | 14.0852 | BLBplus | -152.21, 168.43 | 59.39, 48.73 | -101.51, 163.52 | 46.19, 86.69 | -79.7, 84.36 | out-out | out | 15.4302 | Saltbr-out | 16.8168 | HRD-in | -71.69, -48.17 | 74.87, -6.64 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.681 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -135.55, 157.08 | APE9-dihe-na | -122.47, 145.42 | APE8-dihe-out | -102.69, -27.28 | APE8-rot-in | 280.53 | APE67-dihe-out | -148.15, 135.27 | -137.0, 174.84 | APE12-dist-out | 16.861 | APE11-dist-out | 17.0165 | APE10-dist-out | 21.8105 | APE9-dist-out | 12.4425 | S218A,S222A | None | None | XRAY | 2.91 | 0.232 | 0.264 | B | 395.0 | 322.0 | 29 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9o0u | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 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 | 9O0UH | Q02750 | 30 | 380 | 393.0 | CHU:401,ANP:402 | Type1,ATPlike | Inactive | DFGin | 6.2263 | 14.2396 | BLBplus | -153.68, 170.44 | 61.41, 47.24 | -102.95, 164.39 | 45.69, 94.01 | -79.55, 83.41 | out-out | out | 15.5809 | Saltbr-out | 15.7853 | HRD-in | -74.86, -48.68 | 73.9, -6.25 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.583 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -141.84, 152.52 | APE9-dihe-na | -130.16, 177.33 | APE8-dihe-out | -105.34, -25.09 | APE8-rot-out | 37.73 | APE67-dihe-out | -147.39, 136.35 | -136.55, 176.51 | APE12-dist-out | 17.387 | APE11-dist-out | 17.659 | APE10-dist-out | 22.2151 | APE9-dist-out | 12.9967 | S218A,S222A | None | None | XRAY | 2.91 | 0.232 | 0.264 | H | 395.0 | 315.0 | 36 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9o0u | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 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 | 9O0UD | Q02750 | 31 | 380 | 393.0 | CHU:401 | Type3 | Inactive | DFGin | 6.2577 | 14.2452 | BLBplus | -155.2, 170.07 | 62.24, 48.49 | -103.46, 163.38 | 44.86, 81.23 | -80.64, 82.9 | out-out | out | 15.8042 | Saltbr-out | 15.5601 | HRD-in | -72.61, -47.48 | 72.0, -5.51 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.507 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -145.99, 151.57 | APE9-dihe-na | -129.02, 151.01 | APE8-dihe-out | -101.49, -25.69 | APE8-rot-in | 295.14 | APE67-dihe-out | -149.54, 133.77 | -134.81, 174.59 | APE12-dist-out | 17.407 | APE11-dist-out | 17.5585 | APE10-dist-out | 22.6481 | APE9-dist-out | 12.7538 | S218A,S222A | None | None | XRAY | 2.91 | 0.232 | 0.264 | D | 395.0 | 317.0 | 33 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9o0u | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 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 | 9O0UF | Q02750 | 30 | 380 | 393.0 | CHU:401 | Type3 | Inactive | DFGin | 6.24 | 14.2415 | BLBplus | -149.4, 162.55 | 67.26, 47.9 | -103.2, 163.92 | 46.52, 88.85 | -79.29, 85.22 | out-out | out | 15.5394 | Saltbr-out | 16.2358 | HRD-in | -74.73, -46.69 | 72.92, -6.37 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.8344 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -124.83, 125.43 | APE9-dihe-na | -156.49, 116.77 | APE8-dihe-out | -98.23, -8.63 | APE8-rot-in | 320.21 | APE67-dihe-out | -147.81, 133.84 | -133.15, 172.65 | APE12-dist-out | 18.6641 | APE11-dist-out | 16.7859 | APE10-dist-out | 21.1732 | APE9-dist-out | 12.5375 | S218A,S222A | None | None | XRAY | 2.91 | 0.232 | 0.264 | F | 395.0 | 322.0 | 29 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9o0u | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 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 | 9O0UG | P04049 | 341 | 614 | 648.0 | 324:701 | Type1 | Inactive | DFGin | 6.6427 | 14.5362 | BLAminus | -137.03, -164.72 | 64.05, 59.07 | -91.31, 23.03 | 298.27, 111.42 | -70.02, -22.85 | in-in | in | 8.466 | Saltbr-in | 2.7929 | HRD-in | -67.69, -46.18 | 73.87, -6.26 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.4083 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | -147.61, -172.9 | APE9-dihe-na | 96.11, -111.47 | APE8-dihe-in | -121.52, 159.07 | APE8-rot-out | 179.33 | APE67-dihe-in | -61.77, -27.13 | -108.62, -7.48 | APE12-dist-in | 9.3284 | APE11-dist-in | 9.0351 | APE10-dist-out | 10.4777 | APE9-dist-out | 9.744 | Y340D,Y341D | None | None | XRAY | 2.91 | 0.232 | 0.264 | G | 280.0 | 265.0 | 9 | 30 | 21 | 9 | [[349, 608]] | 1.0 | 9o0u | Homo sapiens | TKL_RAF1_HUMAN | TKL | 2.6e-81 | 279.0 | 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 |
| TKL | RAF1 | RAF1_HUMAN | 9O0UE | P04049 | 339 | 613 | 648.0 | 324:701 | Type1.5_Back | Inactive | DFGin | 5.9555 | 13.4189 | BLAplus | -138.96, -169.14 | 62.02, 34.27 | -105.27, 31.97 | 55.75, 93.21 | -64.59, -47.5 | out-none | out | 11.6319 | Saltbr-none | 999.0 | HRD-in | -66.55, -46.99 | 72.02, -8.83 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -79.43 | APE8-dihe-in | -132.83, 160.57 | APE8-rot-out | 180.68 | APE67-dihe-in | -62.16, -27.71 | -107.14, -6.5 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.74 | Y340D,Y341D | None | None | XRAY | 2.91 | 0.232 | 0.264 | E | 280.0 | 258.0 | 17 | 30 | 13 | 17 | [[349, 608]] | 1.0 | 9o0u | Homo sapiens | TKL_RAF1_HUMAN | TKL | 2.6e-81 | 279.0 | 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 |
| TKL | RAF1 | RAF1_HUMAN | 9O0UC | P04049 | 339 | 614 | 648.0 | 324:701 | Type1 | Inactive | DFGin | 6.4118 | 14.92 | BLBminus | -135.2, -162.93 | 65.39, 47.79 | -89.17, 153.49 | 305.13, 119.24 | 148.83, -36.3 | in-in | in | 8.1119 | Saltbr-in | 3.1081 | HRD-in | -65.51, -42.52 | 74.23, -8.63 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2736 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, -140.95 | APE9-dihe-na | 87.04, -108.57 | APE8-dihe-in | -126.35, 163.82 | APE8-rot-out | 179.91 | APE67-dihe-in | -66.05, -28.24 | -108.28, -15.46 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 9.537 | APE9-dist-out | 7.8436 | Y340D,Y341D | None | None | XRAY | 2.91 | 0.232 | 0.264 | C | 280.0 | 264.0 | 12 | 30 | 18 | 12 | [[349, 608]] | 1.0 | 9o0u | Homo sapiens | TKL_RAF1_HUMAN | TKL | 2.6e-81 | 279.0 | 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 |
| TKL | RAF1 | RAF1_HUMAN | 9O0UA | P04049 | 339 | 612 | 648.0 | 324:701 | Type1.5_Back | Inactive | DFGin | 5.49 | 13.4253 | BLBplus | -137.77, -168.21 | 60.54, 23.67 | -97.39, 164.85 | 62.85, 94.03 | 74.33, 173.3 | out-none | out | 11.6361 | Saltbr-none | 999.0 | HRD-in | -67.32, -47.26 | 72.53, -10.19 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 8.5215 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -79.91, 164.26 | APE9-dihe-na | 133.94, -179.25 | APE8-dihe-in | -151.13, 161.47 | APE8-rot-out | 181.14 | APE67-dihe-in | -63.28, -28.75 | -107.76, -7.41 | APE12-dist-out | 21.2876 | APE11-dist-out | 15.3594 | APE10-dist-out | 15.2178 | APE9-dist-out | 10.0158 | Y340D,Y341D | None | None | XRAY | 2.91 | 0.232 | 0.264 | A | 280.0 | 267.0 | 7 | 30 | 23 | 7 | [[349, 608]] | 1.0 | 9o0u | Homo sapiens | TKL_RAF1_HUMAN | TKL | 2.6e-81 | 279.0 | 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 |
|---|