| 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 | 3LJ0A | P32361 | 665 | 1115 | 1115.0 | ADP:2101,QUE:1 | ATPlike,Allosteric | None | DFGin | 5.6568 | 14.5198 | BLAminus | -127.75, -159.8 | 55.73, 76.2 | -100.97, 26.65 | 278.19, 55.54 | -68.42, -38.12 | in-in | in | 9.3145 | Saltbr-in | 3.0432 | HRD-in | -75.54, -40.03 | 69.65, -11.03 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8835 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -61.99 | APE8-rot-none | 999.0 | APE67-dihe-in | -81.59, -8.09 | -104.48, 18.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.217 | 0.224 | A | 434.0 | 407.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj0 | 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 | 3LJ0B | P32361 | 670 | 1115 | 1115.0 | ADP:2101,QUE:1 | ATPlike,Allosteric | None | DFGin | 5.6395 | 14.5291 | BLAminus | -127.76, -160.17 | 56.44, 75.29 | -99.49, 26.48 | 278.86, 54.86 | -67.91, -37.63 | in-in | in | 9.3315 | Saltbr-in | 3.0881 | HRD-in | -76.48, -40.82 | 70.18, -10.34 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8642 | 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, -62.45 | APE8-rot-in | 292.53 | APE67-dihe-in | -81.7, -8.3 | -104.03, 18.85 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.217 | 0.224 | B | 434.0 | 402.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj0 | 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 | 3LJ0A | P32361 | 665 | 1115 | 1115.0 | ADP:2101,QUE:1 | ATPlike,Allosteric | None | DFGin | 5.6568 | 14.5198 | BLAminus | -127.75, -159.8 | 55.73, 76.2 | -100.97, 26.65 | 278.19, 55.54 | -68.42, -38.12 | in-in | in | 9.3145 | Saltbr-in | 3.0432 | HRD-in | -75.54, -40.03 | 69.65, -11.03 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8835 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -61.99 | APE8-rot-none | 999.0 | APE67-dihe-in | -81.59, -8.09 | -104.48, 18.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.217 | 0.224 | A | 434.0 | 407.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj0 | 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 | 3LJ0B | P32361 | 670 | 1115 | 1115.0 | ADP:2101,QUE:1 | ATPlike,Allosteric | None | DFGin | 5.6395 | 14.5291 | BLAminus | -127.76, -160.17 | 56.44, 75.29 | -99.49, 26.48 | 278.86, 54.86 | -67.91, -37.63 | in-in | in | 9.3315 | Saltbr-in | 3.0881 | HRD-in | -76.48, -40.82 | 70.18, -10.34 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8642 | 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, -62.45 | APE8-rot-in | 292.53 | APE67-dihe-in | -81.7, -8.3 | -104.03, 18.85 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.217 | 0.224 | B | 434.0 | 402.0 | 20 | 32 | 25 | 7 | [[672, 977]] | 1.0 | 3lj0 | 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 |