| 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 | MAP3K5 | M3K5_HUMAN | 4BIBA | Q99683 | 670 | 939 | 1374.0 | IEO:1940 | Type1 | Inactive | DFGin | 6.8902 | 13.6849 | BLAminus | -101.96, 171.68 | 56.63, 96.52 | -108.09, 9.31 | 305.46, 105.24 | -97.03, 34.5 | out-out | out | 10.3276 | Saltbr-out | 7.9197 | HRD-in | -62.68, -55.31 | 79.51, -12.34 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.0502 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -124.73, 130.88 | APE9-dihe-na | -70.59, -168.47 | APE8-dihe-in | -67.53, 132.39 | APE8-rot-in | 314.8 | APE67-dihe-in | -64.88, -13.63 | -56.67, -50.04 | APE12-dist-in | 10.4658 | APE11-dist-out | 5.0991 | APE10-dist-out | 9.6734 | APE9-dist-in | 3.4478 | T838E | None | None | XRAY | 2.43 | 0.203 | 0.239 | A | 318.0 | 254.0 | 16 | 28 | 20 | 8 | [[678, 938]] | 1.0 | 4bib | STE_MAP3K5_HUMAN | STE | 1.6e-80 | 276.2 | 5.0 | 257.0 | 253.0 | 821 | 822 | 823 | 825 | 827 | 709 | 725 | 729 | 800 | 802 | 801 | 803.0 | 863 | 849 | 844 | 843 | 842 | 841 | 840 | 839 | 838 | 755 | Mitogen-activated protein kinase kinase kinase 5 |
| STE | MAP3K5 | M3K5_HUMAN | 4BIBB | Q99683 | 670 | 940 | 1374.0 | IEO:1941 | Type1 | Inactive | DFGin | 6.8306 | 14.0764 | BLAminus | -122.95, 179.25 | 61.68, 85.04 | -100.41, 15.31 | 300.43, 103.7 | -75.4, -20.2 | in-out | in | 9.3155 | Saltbr-out | 3.8684 | HRD-in | -65.57, -43.92 | 69.2, -4.11 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9368 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -130.37, 121.6 | APE9-dihe-na | -77.09, -118.37 | APE8-dihe-in | -118.52, 124.53 | APE8-rot-in | 308.41 | APE67-dihe-in | -63.49, -22.1 | -41.53, -59.58 | APE12-dist-none | 999.0 | APE11-dist-out | 6.7167 | APE10-dist-out | 9.9945 | APE9-dist-in | 3.7179 | T838E | None | None | XRAY | 2.43 | 0.203 | 0.239 | B | 318.0 | 258.0 | 13 | 28 | 19 | 9 | [[678, 938]] | 1.0 | 4bib | STE_MAP3K5_HUMAN | STE | 1.6e-80 | 276.2 | 5.0 | 257.0 | 253.0 | 821 | 822 | 823 | 825 | 827 | 709 | 725 | 729 | 800 | 802 | 801 | 803.0 | 863 | 849 | 844 | 843 | 842 | 841 | 840 | 839 | 838 | 755 | Mitogen-activated protein kinase kinase kinase 5 |
| 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 | MAP3K5 | M3K5_HUMAN | 4BIBA | Q99683 | 670 | 939 | 1374.0 | IEO:1940 | Type1 | Inactive | DFGin | 6.8902 | 13.6849 | BLAminus | -101.96, 171.68 | 56.63, 96.52 | -108.09, 9.31 | 305.46, 105.24 | -97.03, 34.5 | out-out | out | 10.3276 | Saltbr-out | 7.9197 | HRD-in | -62.68, -55.31 | 79.51, -12.34 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.0502 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -124.73, 130.88 | APE9-dihe-na | -70.59, -168.47 | APE8-dihe-in | -67.53, 132.39 | APE8-rot-in | 314.8 | APE67-dihe-in | -64.88, -13.63 | -56.67, -50.04 | APE12-dist-in | 10.4658 | APE11-dist-out | 5.0991 | APE10-dist-out | 9.6734 | APE9-dist-in | 3.4478 | T838E | None | None | XRAY | 2.43 | 0.203 | 0.239 | A | 318.0 | 254.0 | 16 | 28 | 20 | 8 | [[678, 938]] | 1.0 | 4bib | Homo sapiens | STE_MAP3K5_HUMAN | STE | 1.6e-80 | 276.2 | 5.0 | 257.0 | 253.0 | 821 | 822 | 823 | 825 | 827 | 709 | 725 | 729 | 800 | 802 | 801 | 803.0 | 863 | 849 | 844 | 843 | 842 | 841 | 840 | 839 | 838 | 755 | Mitogen-activated protein kinase kinase kinase 5 |
| STE | MAP3K5 | M3K5_HUMAN | 4BIBB | Q99683 | 670 | 940 | 1374.0 | IEO:1941 | Type1 | Inactive | DFGin | 6.8306 | 14.0764 | BLAminus | -122.95, 179.25 | 61.68, 85.04 | -100.41, 15.31 | 300.43, 103.7 | -75.4, -20.2 | in-out | in | 9.3155 | Saltbr-out | 3.8684 | HRD-in | -65.57, -43.92 | 69.2, -4.11 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9368 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -130.37, 121.6 | APE9-dihe-na | -77.09, -118.37 | APE8-dihe-in | -118.52, 124.53 | APE8-rot-in | 308.41 | APE67-dihe-in | -63.49, -22.1 | -41.53, -59.58 | APE12-dist-none | 999.0 | APE11-dist-out | 6.7167 | APE10-dist-out | 9.9945 | APE9-dist-in | 3.7179 | T838E | None | None | XRAY | 2.43 | 0.203 | 0.239 | B | 318.0 | 258.0 | 13 | 28 | 19 | 9 | [[678, 938]] | 1.0 | 4bib | Homo sapiens | STE_MAP3K5_HUMAN | STE | 1.6e-80 | 276.2 | 5.0 | 257.0 | 253.0 | 821 | 822 | 823 | 825 | 827 | 709 | 725 | 729 | 800 | 802 | 801 | 803.0 | 863 | 849 | 844 | 843 | 842 | 841 | 840 | 839 | 838 | 755 | Mitogen-activated protein kinase kinase kinase 5 |
| 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 |
|---|