| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | CDK8 | CDK8_HUMAN | 3RGFA | P49336 | 1 | 353 | 464.0 | BAX:60465 | Type2 | Inactive | DFGout | 15.0897 | 10.8645 | BBAminus | -128.79, 167.92 | -135.88, 84.21 | -83.29, -7.22 | 304.7, 18.84 | -121.06, 44.25 | in-out | in | 9.3695 | Saltbr-out | 4.8518 | HRD-in | -76.1, -55.23 | 78.73, 2.83 | out-out-out | SNCooo | out-out | ActLoopNT-out | 12.2242 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 133.12 | APE8-dihe-in | -111.84, 132.17 | APE8-rot-out | 185.32 | APE67-dihe-in | -67.42, -19.98 | -109.35, 18.38 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.6368 | None | None | None | XRAY | 2.2 | 0.183 | 0.221 | A | 405.0 | 319.0 | 34 | 31 | 15 | 16 | [[22, 335]] | 1.0 | 3rgf | CMGC_CDK8_HUMAN | CMGC | 5.9e-82 | 281.4 | 5.0 | 301.0 | 297.0 | 172 | 173 | 174 | 176 | 178 | 52 | 66 | 70 | 148 | 150 | 149 | 151.0 | 216 | 203 | 198 | 197 | 196 | 195 | 194 | 193 | 192 | 98 | Cyclin-dependent kinase 8 |
| CMGC | MAPK14 | MK14_HUMAN | 3GCSA | Q16539 | 5 | 352 | 360.0 | BAX:401 | Type2 | Inactive | DFGout | 13.802 | 11.2196 | BBAminus | -148.91, -179.17 | -135.91, 107.56 | -69.03, -19.52 | 281.41, 117.73 | 85.38, 999.0 | in-out | in | 9.7012 | Saltbr-out | 5.0624 | HRD-in | -66.45, -55.11 | 82.51, -13.77 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 135.89 | APE8-rot-in | 262.05 | APE67-dihe-in | -67.03, -18.78 | -100.06, 9.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C119S,C162S,A172C,F327L | None | None | XRAY | 2.1 | 0.204 | 0.262 | A | 360.0 | 331.0 | 17 | 25 | 11 | 14 | [[24, 308]] | 1.0 | 3gcs | CMGC_MAPK14_HUMAN | CMGC | 4.4e-84 | 288.3 | 1.0 | 301.0 | 301.0 | 167 | 168 | 169 | 171 | 173 | 53 | 71 | 75 | 147 | 149 | 148 | 150.0 | 205 | 192 | 187 | 186 | 185 | 184 | 183 | 182 | 181 | 107 | Mitogen-activated protein kinase 14 |
| CMGC | MAPK14 | MK14_HUMAN | 3HEGA | Q16539 | 5 | 352 | 360.0 | BAX:1 | Type2 | Inactive | DFGout | 13.9801 | 10.4162 | BBAminus | -138.78, -176.3 | -143.83, 112.16 | -66.98, -96.1 | 288.65, 119.82 | 123.84, 999.0 | in-in | in | 9.6179 | Saltbr-in | 3.0077 | HRD-in | -67.99, -50.51 | 67.42, -7.32 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | -161.71, 88.05 | APE9-dihe-na | -78.71, 132.75 | APE8-dihe-out | -59.19, -30.56 | APE8-rot-in | 282.81 | APE67-dihe-in | -52.86, -23.91 | -65.83, -36.74 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.8536 | None | None | None | XRAY | 2.2 | 0.24 | 0.309 | A | 348.0 | 333.0 | 15 | 25 | 14 | 11 | [[24, 308]] | 1.0 | 3heg | CMGC_MAPK14_HUMAN | CMGC | 5.2e-85 | 291.3 | 1.0 | 301.0 | 301.0 | 167 | 168 | 169 | 171 | 173 | 53 | 71 | 75 | 147 | 149 | 148 | 150.0 | 205 | 192 | 187 | 186 | 185 | 184 | 183 | 182 | 181 | 107 | Mitogen-activated protein kinase 14 |
| TKL | BRAF | BRAF_HUMAN | 5HI2A | P15056 | 449 | 721 | 766.0 | BAX:801 | Type2 | Inactive | DFGout | 12.3416 | 11.6522 | BBAminus | -149.96, -163.11 | -123.43, 99.25 | -92.3, 0.56 | 291.37, 69.87 | -68.92, 152.82 | in-in | in | 8.0926 | Saltbr-in | 2.7588 | HRD-in | -69.01, -47.24 | 79.78, -21.21 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 20.66 | APE8-rot-in | 304.3 | APE67-dihe-in | -43.41, -33.84 | -68.26, -34.39 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.512 | 0.191 | 0.237 | A | 283.0 | 247.0 | 21 | 30 | 12 | 18 | [[457, 716]] | 1.0 | 5hi2 | TKL_BRAF_HUMAN | TKL | 2.7e-82 | 282.3 | 4.0 | 267.0 | 264.0 | 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 |
| TKL | BRAF | BRAF_HUMAN | 1UWJA | P15056 | 448 | 723 | 766.0 | BAX:61723 | Type2 | Inactive | DFGout | 12.4719 | 11.3989 | BBAminus | -166.47, 179.42 | -106.43, 75.02 | -68.47, 24.79 | 296.03, 53.21 | -94.41, 168.9 | in-in | in | 8.0299 | Saltbr-in | 2.628 | HRD-in | -71.1, -39.74 | 67.88, -2.3 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.4764 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -8.12 | APE8-dihe-in | -179.1, 96.45 | APE8-rot-out | 67.95 | APE67-dihe-in | -46.32, -38.84 | -93.37, -26.17 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.0627 | V600E | None | None | XRAY | 3.5 | 0.275 | 0.357 | A | 276.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 1uwj | TKL_BRAF_HUMAN | TKL | 7.6e-82 | 280.7 | 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 |
| TKL | BRAF | BRAF_HUMAN | 1UWJB | P15056 | 448 | 723 | 766.0 | BAX:61723 | Type2 | Inactive | DFGout | 12.4707 | 11.4196 | BBAminus | -165.41, 177.79 | -106.4, 76.01 | -68.12, 23.11 | 295.71, 53.18 | -92.84, 169.18 | in-in | in | 8.0227 | Saltbr-in | 2.5504 | HRD-in | -72.21, -38.76 | 66.05, -0.46 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.4141 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -129.57 | APE8-dihe-in | -120.6, 126.56 | APE8-rot-out | 201.87 | APE67-dihe-in | -46.86, -38.56 | -98.38, -30.32 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.2814 | V600E | None | None | XRAY | 3.5 | 0.275 | 0.357 | B | 276.0 | 263.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 1uwj | TKL_BRAF_HUMAN | TKL | 7.6e-82 | 280.7 | 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 |
| TKL | BRAF | BRAF_HUMAN | 1UWHA | P15056 | 448 | 723 | 766.0 | BAX:61723 | Type2 | Inactive | DFGout | 12.4951 | 11.4814 | BBAminus | -173.91, -166.78 | -121.32, 89.16 | -83.23, 16.41 | 301.34, 66.03 | -83.78, 148.03 | in-in | in | 8.4555 | Saltbr-in | 2.9891 | HRD-in | -65.62, -55.23 | 80.22, -7.91 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.5703 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioo | APE10-dihe-na | -61.57, 175.06 | APE9-dihe-na | 174.29, 130.89 | APE8-dihe-in | -93.46, 78.64 | APE8-rot-out | 46.11 | APE67-dihe-in | -63.44, -27.03 | -60.72, -32.82 | APE12-dist-none | 999.0 | APE11-dist-in | 11.5951 | APE10-dist-out | 8.374 | APE9-dist-out | 8.6565 | None | None | None | XRAY | 2.95 | 0.222 | 0.257 | A | 276.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 1uwh | TKL_BRAF_HUMAN | TKL | 1.8e-81 | 279.5 | 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 |
| TKL | BRAF | BRAF_HUMAN | 1UWHB | P15056 | 448 | 723 | 766.0 | BAX:61723 | Type2 | Inactive | DFGout | 12.4949 | 11.4909 | BBAminus | -173.56, -167.09 | -121.29, 88.77 | -83.17, 16.44 | 301.44, 65.99 | -83.54, 148.34 | in-in | in | 8.4379 | Saltbr-in | 2.9628 | HRD-in | -65.94, -55.1 | 80.05, -8.58 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.9879 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioo | APE10-dihe-na | -54.44, 165.53 | APE9-dihe-na | -176.68, 134.04 | APE8-dihe-in | -91.08, 81.56 | APE8-rot-out | 44.97 | APE67-dihe-in | -53.91, -27.06 | -61.59, -40.98 | APE12-dist-none | 999.0 | APE11-dist-in | 11.1981 | APE10-dist-out | 8.7115 | APE9-dist-out | 9.0321 | None | None | None | XRAY | 2.95 | 0.222 | 0.257 | B | 276.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 1uwh | TKL_BRAF_HUMAN | TKL | 1.8e-81 | 279.5 | 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 |
| TYR | KDR | VGFR2_HUMAN | 3WZEA | P35968 | 815 | 1167 | 1356.0 | BAX:1201 | Type2 | Inactive | DFGout | 15.4233 | 9.7241 | BBAminus | -149.68, 178.07 | -142.38, 105.98 | -66.68, -30.19 | 278.49, 88.73 | 48.89, -116.05 | in-in | in | 7.489 | Saltbr-in | 2.7908 | HRD-in | -80.41, -52.96 | 79.37, -11.85 | in-out-out | SNCioo | out-out | ActLoopNT-out | 16.6579 | ActLoopCT-out | TYR | APEdihe_iiiai | APEdist_aaao | APE10-dihe-in | -114.24, 115.23 | APE9-dihe-in | -125.6, 147.79 | APE8-dihe-in | -77.19, 70.99 | APE8-rot-na | 33.48 | APE67-dihe-in | -66.14, -18.73 | -60.64, -36.14 | APE12-dist-na | 999.0 | APE11-dist-na | 13.6996 | APE10-dist-na | 11.3421 | APE9-dist-out | 8.0812 | T940V | None | None | XRAY | 1.9 | 0.188 | 0.224 | A | 309.0 | 298.0 | 5 | 30 | 29 | 1 | [[834, 1162]] | 1.0 | 3wze | TYR_KDR_HUMAN | TYR | 3.7e-100 | 340.4 | 1.0 | 260.0 | 260.0 | 1045 | 1046 | 1047 | 1049 | 1051 | 868 | 885 | 889 | 1025 | 1027 | 1026 | 1028.0 | 1087 | 1075 | 1070 | 1069 | 1068 | 1067 | 1066 | 1065 | 1064 | 917 | Vascular endothelial growth factor receptor 2 |
| TYR | KDR | VGFR2_HUMAN | 4ASDA | P35968 | 807 | 1168 | 1356.0 | BAX:1500 | Type2 | Inactive | DFGout | 15.5976 | 9.5654 | BBAminus | -143.46, -179.3 | -143.72, 107.55 | -61.84, -34.25 | 277.42, 87.13 | 55.65, -120.32 | in-in | in | 7.5842 | Saltbr-in | 2.9145 | HRD-in | -94.7, -57.23 | 78.86, -11.11 | in-out-in | SNCioi | out-in | ActLoopNT-out | 16.5646 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -117.01, 114.08 | APE9-dihe-in | -124.4, 147.41 | APE8-dihe-in | -79.65, 63.41 | APE8-rot-na | 32.33 | APE67-dihe-in | -69.55, -12.31 | -53.55, -35.42 | APE12-dist-na | 16.0444 | APE11-dist-na | 13.4306 | APE10-dist-na | 11.4557 | APE9-dist-in | 7.9757 | E990V | None | None | XRAY | 2.03 | 0.178 | 0.23 | A | 353.0 | 305.0 | 7 | 30 | 30 | 0 | [[834, 1162]] | 1.0 | 4asd | TYR_KDR_HUMAN | TYR | 6e-100 | 339.8 | 1.0 | 260.0 | 260.0 | 1045 | 1046 | 1047 | 1049 | 1051 | 868 | 885 | 889 | 1025 | 1027 | 1026 | 1028.0 | 1087 | 1075 | 1070 | 1069 | 1068 | 1067 | 1066 | 1065 | 1064 | 917 | Vascular endothelial growth factor receptor 2 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | CDK8 | CDK8_HUMAN | 3RGFA | P49336 | 1 | 353 | 464.0 | BAX:60465 | Type2 | Inactive | DFGout | 15.0897 | 10.8645 | BBAminus | -128.79, 167.92 | -135.88, 84.21 | -83.29, -7.22 | 304.7, 18.84 | -121.06, 44.25 | in-out | in | 9.3695 | Saltbr-out | 4.8518 | HRD-in | -76.1, -55.23 | 78.73, 2.83 | out-out-out | SNCooo | out-out | ActLoopNT-out | 12.2242 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 133.12 | APE8-dihe-in | -111.84, 132.17 | APE8-rot-out | 185.32 | APE67-dihe-in | -67.42, -19.98 | -109.35, 18.38 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.6368 | None | None | None | XRAY | 2.2 | 0.183 | 0.221 | A | 405.0 | 319.0 | 34 | 31 | 15 | 16 | [[22, 335]] | 1.0 | 3rgf | Homo sapiens | CMGC_CDK8_HUMAN | CMGC | 5.9e-82 | 281.4 | 5.0 | 301.0 | 297.0 | 172 | 173 | 174 | 176 | 178 | 52 | 66 | 70 | 148 | 150 | 149 | 151.0 | 216 | 203 | 198 | 197 | 196 | 195 | 194 | 193 | 192 | 98 | Cyclin-dependent kinase 8 |
| CMGC | MAPK14 | MK14_HUMAN | 3GCSA | Q16539 | 5 | 352 | 360.0 | BAX:401 | Type2 | Inactive | DFGout | 13.802 | 11.2196 | BBAminus | -148.91, -179.17 | -135.91, 107.56 | -69.03, -19.52 | 281.41, 117.73 | 85.38, 999.0 | in-out | in | 9.7012 | Saltbr-out | 5.0624 | HRD-in | -66.45, -55.11 | 82.51, -13.77 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 135.89 | APE8-rot-in | 262.05 | APE67-dihe-in | -67.03, -18.78 | -100.06, 9.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C119S,C162S,A172C,F327L | None | None | XRAY | 2.1 | 0.204 | 0.262 | A | 360.0 | 331.0 | 17 | 25 | 11 | 14 | [[24, 308]] | 1.0 | 3gcs | Homo sapiens | CMGC_MAPK14_HUMAN | CMGC | 4.4e-84 | 288.3 | 1.0 | 301.0 | 301.0 | 167 | 168 | 169 | 171 | 173 | 53 | 71 | 75 | 147 | 149 | 148 | 150.0 | 205 | 192 | 187 | 186 | 185 | 184 | 183 | 182 | 181 | 107 | Mitogen-activated protein kinase 14 |
| CMGC | MAPK14 | MK14_HUMAN | 3HEGA | Q16539 | 5 | 352 | 360.0 | BAX:1 | Type2 | Inactive | DFGout | 13.9801 | 10.4162 | BBAminus | -138.78, -176.3 | -143.83, 112.16 | -66.98, -96.1 | 288.65, 119.82 | 123.84, 999.0 | in-in | in | 9.6179 | Saltbr-in | 3.0077 | HRD-in | -67.99, -50.51 | 67.42, -7.32 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | -161.71, 88.05 | APE9-dihe-na | -78.71, 132.75 | APE8-dihe-out | -59.19, -30.56 | APE8-rot-in | 282.81 | APE67-dihe-in | -52.86, -23.91 | -65.83, -36.74 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.8536 | None | None | None | XRAY | 2.2 | 0.24 | 0.309 | A | 348.0 | 333.0 | 15 | 25 | 14 | 11 | [[24, 308]] | 1.0 | 3heg | Homo sapiens | CMGC_MAPK14_HUMAN | CMGC | 5.2e-85 | 291.3 | 1.0 | 301.0 | 301.0 | 167 | 168 | 169 | 171 | 173 | 53 | 71 | 75 | 147 | 149 | 148 | 150.0 | 205 | 192 | 187 | 186 | 185 | 184 | 183 | 182 | 181 | 107 | Mitogen-activated protein kinase 14 |
| TKL | BRAF | BRAF_HUMAN | 5HI2A | P15056 | 449 | 721 | 766.0 | BAX:801 | Type2 | Inactive | DFGout | 12.3416 | 11.6522 | BBAminus | -149.96, -163.11 | -123.43, 99.25 | -92.3, 0.56 | 291.37, 69.87 | -68.92, 152.82 | in-in | in | 8.0926 | Saltbr-in | 2.7588 | HRD-in | -69.01, -47.24 | 79.78, -21.21 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 20.66 | APE8-rot-in | 304.3 | APE67-dihe-in | -43.41, -33.84 | -68.26, -34.39 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.512 | 0.191 | 0.237 | A | 283.0 | 247.0 | 21 | 30 | 12 | 18 | [[457, 716]] | 1.0 | 5hi2 | Homo sapiens | TKL_BRAF_HUMAN | TKL | 2.7e-82 | 282.3 | 4.0 | 267.0 | 264.0 | 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 |
| TKL | BRAF | BRAF_HUMAN | 1UWJA | P15056 | 448 | 723 | 766.0 | BAX:61723 | Type2 | Inactive | DFGout | 12.4719 | 11.3989 | BBAminus | -166.47, 179.42 | -106.43, 75.02 | -68.47, 24.79 | 296.03, 53.21 | -94.41, 168.9 | in-in | in | 8.0299 | Saltbr-in | 2.628 | HRD-in | -71.1, -39.74 | 67.88, -2.3 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.4764 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -8.12 | APE8-dihe-in | -179.1, 96.45 | APE8-rot-out | 67.95 | APE67-dihe-in | -46.32, -38.84 | -93.37, -26.17 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.0627 | V600E | None | None | XRAY | 3.5 | 0.275 | 0.357 | A | 276.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 1uwj | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.6e-82 | 280.7 | 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 |
| TKL | BRAF | BRAF_HUMAN | 1UWJB | P15056 | 448 | 723 | 766.0 | BAX:61723 | Type2 | Inactive | DFGout | 12.4707 | 11.4196 | BBAminus | -165.41, 177.79 | -106.4, 76.01 | -68.12, 23.11 | 295.71, 53.18 | -92.84, 169.18 | in-in | in | 8.0227 | Saltbr-in | 2.5504 | HRD-in | -72.21, -38.76 | 66.05, -0.46 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.4141 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -129.57 | APE8-dihe-in | -120.6, 126.56 | APE8-rot-out | 201.87 | APE67-dihe-in | -46.86, -38.56 | -98.38, -30.32 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.2814 | V600E | None | None | XRAY | 3.5 | 0.275 | 0.357 | B | 276.0 | 263.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 1uwj | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.6e-82 | 280.7 | 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 |
| TKL | BRAF | BRAF_HUMAN | 1UWHA | P15056 | 448 | 723 | 766.0 | BAX:61723 | Type2 | Inactive | DFGout | 12.4951 | 11.4814 | BBAminus | -173.91, -166.78 | -121.32, 89.16 | -83.23, 16.41 | 301.34, 66.03 | -83.78, 148.03 | in-in | in | 8.4555 | Saltbr-in | 2.9891 | HRD-in | -65.62, -55.23 | 80.22, -7.91 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.5703 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioo | APE10-dihe-na | -61.57, 175.06 | APE9-dihe-na | 174.29, 130.89 | APE8-dihe-in | -93.46, 78.64 | APE8-rot-out | 46.11 | APE67-dihe-in | -63.44, -27.03 | -60.72, -32.82 | APE12-dist-none | 999.0 | APE11-dist-in | 11.5951 | APE10-dist-out | 8.374 | APE9-dist-out | 8.6565 | None | None | None | XRAY | 2.95 | 0.222 | 0.257 | A | 276.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 1uwh | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.8e-81 | 279.5 | 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 |
| TKL | BRAF | BRAF_HUMAN | 1UWHB | P15056 | 448 | 723 | 766.0 | BAX:61723 | Type2 | Inactive | DFGout | 12.4949 | 11.4909 | BBAminus | -173.56, -167.09 | -121.29, 88.77 | -83.17, 16.44 | 301.44, 65.99 | -83.54, 148.34 | in-in | in | 8.4379 | Saltbr-in | 2.9628 | HRD-in | -65.94, -55.1 | 80.05, -8.58 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.9879 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioo | APE10-dihe-na | -54.44, 165.53 | APE9-dihe-na | -176.68, 134.04 | APE8-dihe-in | -91.08, 81.56 | APE8-rot-out | 44.97 | APE67-dihe-in | -53.91, -27.06 | -61.59, -40.98 | APE12-dist-none | 999.0 | APE11-dist-in | 11.1981 | APE10-dist-out | 8.7115 | APE9-dist-out | 9.0321 | None | None | None | XRAY | 2.95 | 0.222 | 0.257 | B | 276.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 1uwh | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.8e-81 | 279.5 | 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 |
| TYR | KDR | VGFR2_HUMAN | 3WZEA | P35968 | 815 | 1167 | 1356.0 | BAX:1201 | Type2 | Inactive | DFGout | 15.4233 | 9.7241 | BBAminus | -149.68, 178.07 | -142.38, 105.98 | -66.68, -30.19 | 278.49, 88.73 | 48.89, -116.05 | in-in | in | 7.489 | Saltbr-in | 2.7908 | HRD-in | -80.41, -52.96 | 79.37, -11.85 | in-out-out | SNCioo | out-out | ActLoopNT-out | 16.6579 | ActLoopCT-out | TYR | APEdihe_iiiai | APEdist_aaao | APE10-dihe-in | -114.24, 115.23 | APE9-dihe-in | -125.6, 147.79 | APE8-dihe-in | -77.19, 70.99 | APE8-rot-na | 33.48 | APE67-dihe-in | -66.14, -18.73 | -60.64, -36.14 | APE12-dist-na | 999.0 | APE11-dist-na | 13.6996 | APE10-dist-na | 11.3421 | APE9-dist-out | 8.0812 | T940V | None | None | XRAY | 1.9 | 0.188 | 0.224 | A | 309.0 | 298.0 | 5 | 30 | 29 | 1 | [[834, 1162]] | 1.0 | 3wze | Homo sapiens | TYR_KDR_HUMAN | TYR | 3.7e-100 | 340.4 | 1.0 | 260.0 | 260.0 | 1045 | 1046 | 1047 | 1049 | 1051 | 868 | 885 | 889 | 1025 | 1027 | 1026 | 1028.0 | 1087 | 1075 | 1070 | 1069 | 1068 | 1067 | 1066 | 1065 | 1064 | 917 | Vascular endothelial growth factor receptor 2 |
| TYR | KDR | VGFR2_HUMAN | 4ASDA | P35968 | 807 | 1168 | 1356.0 | BAX:1500 | Type2 | Inactive | DFGout | 15.5976 | 9.5654 | BBAminus | -143.46, -179.3 | -143.72, 107.55 | -61.84, -34.25 | 277.42, 87.13 | 55.65, -120.32 | in-in | in | 7.5842 | Saltbr-in | 2.9145 | HRD-in | -94.7, -57.23 | 78.86, -11.11 | in-out-in | SNCioi | out-in | ActLoopNT-out | 16.5646 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -117.01, 114.08 | APE9-dihe-in | -124.4, 147.41 | APE8-dihe-in | -79.65, 63.41 | APE8-rot-na | 32.33 | APE67-dihe-in | -69.55, -12.31 | -53.55, -35.42 | APE12-dist-na | 16.0444 | APE11-dist-na | 13.4306 | APE10-dist-na | 11.4557 | APE9-dist-in | 7.9757 | E990V | None | None | XRAY | 2.03 | 0.178 | 0.23 | A | 353.0 | 305.0 | 7 | 30 | 30 | 0 | [[834, 1162]] | 1.0 | 4asd | Homo sapiens | TYR_KDR_HUMAN | TYR | 6e-100 | 339.8 | 1.0 | 260.0 | 260.0 | 1045 | 1046 | 1047 | 1049 | 1051 | 868 | 885 | 889 | 1025 | 1027 | 1026 | 1028.0 | 1087 | 1075 | 1070 | 1069 | 1068 | 1067 | 1066 | 1065 | 1064 | 917 | Vascular endothelial growth factor receptor 2 |
| 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 |
|---|