| 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 | 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 |
|---|
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | IRE1 | IRE1_YEAST | 2RIOA | P32361 | 665 | 1115 | 1115.0 | ADP:61101 | ATPlike | None | DFGin | 5.0319 | 14.6663 | BLAminus | -125.01, -166.82 | 59.91, 72.41 | -79.74, 13.1 | 278.94, 57.84 | -50.86, -29.29 | out-in | out | 10.3602 | Saltbr-in | 3.5441 | HRD-in | -69.38, -55.95 | 80.27, 5.91 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.6844 | 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, 148.77 | APE8-rot-in | 240.38 | APE67-dihe-in | -59.81, -10.2 | -102.36, 14.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.4 | 0.224 | 0.266 | A | 434.0 | 396.0 | 26 | 32 | 18 | 14 | [[672, 977]] | 1.0 | 2rio | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 2RIOB | P32361 | 665 | 1115 | 1115.0 | ADP:62101 | ATPlike | Inactive | DFGin | 5.1319 | 14.4012 | BLAminus | -133.23, -169.67 | 57.3, 77.4 | -91.55, 18.06 | 279.67, 55.41 | -50.86, -27.7 | in-in | in | 9.9668 | Saltbr-in | 3.5542 | HRD-in | -79.44, -44.63 | 66.11, 11.75 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7644 | 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, 139.02 | APE8-rot-out | 206.66 | APE67-dihe-in | -67.78, -12.45 | -143.81, 21.75 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.4 | 0.224 | 0.266 | B | 434.0 | 395.0 | 27 | 32 | 18 | 14 | [[672, 977]] | 1.0 | 2rio | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | IRE1 | IRE1_YEAST | 2RIOA | P32361 | 665 | 1115 | 1115.0 | ADP:61101 | ATPlike | None | DFGin | 5.0319 | 14.6663 | BLAminus | -125.01, -166.82 | 59.91, 72.41 | -79.74, 13.1 | 278.94, 57.84 | -50.86, -29.29 | out-in | out | 10.3602 | Saltbr-in | 3.5441 | HRD-in | -69.38, -55.95 | 80.27, 5.91 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.6844 | 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, 148.77 | APE8-rot-in | 240.38 | APE67-dihe-in | -59.81, -10.2 | -102.36, 14.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.4 | 0.224 | 0.266 | A | 434.0 | 396.0 | 26 | 32 | 18 | 14 | [[672, 977]] | 1.0 | 2rio | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 2RIOB | P32361 | 665 | 1115 | 1115.0 | ADP:62101 | ATPlike | Inactive | DFGin | 5.1319 | 14.4012 | BLAminus | -133.23, -169.67 | 57.3, 77.4 | -91.55, 18.06 | 279.67, 55.41 | -50.86, -27.7 | in-in | in | 9.9668 | Saltbr-in | 3.5542 | HRD-in | -79.44, -44.63 | 66.11, 11.75 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7644 | 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, 139.02 | APE8-rot-out | 206.66 | APE67-dihe-in | -67.78, -12.45 | -143.81, 21.75 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.4 | 0.224 | 0.266 | B | 434.0 | 395.0 | 27 | 32 | 18 | 14 | [[672, 977]] | 1.0 | 2rio | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 1e-35 | 129.7 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |