| 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 | ERN1 | ERN1_MOUSE | 4PL3A | Q9EQY0 | 560 | 964 | 977.0 | 31J:1001,ADP:1002 | Allosteric,ATPlike | Inactive | DFGin | 7.327 | 13.7163 | BLBplus | -137.83, -169.53 | 45.26, 38.38 | -99.01, 160.39 | 56.61, 78.79 | 64.67, 4.33 | out-out | out | 16.5791 | Saltbr-out | 12.4483 | HRD-in | -67.88, -49.57 | 75.5, 1.96 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.693 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -56.59, -179.83 | APE9-dihe-na | 70.82, 169.1 | APE8-dihe-in | -122.85, 127.5 | APE8-rot-in | 297.91 | APE67-dihe-inflip | 117.64, -32.26 | -39.31, 118.58 | APE12-dist-none | 999.0 | APE11-dist-out | 14.0611 | APE10-dist-out | 9.3121 | APE9-dist-in | 3.5586 | N772Y | None | None | XRAY | 2.9 | 0.202 | 0.234 | A | 435.0 | 388.0 | 17 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4pl3 | Mus musculus | OTHER_ERN1_MOUSE | CAMK | 3.2e-35 | 128.2 | 5.0 | 256.0 | 252.0 | 710 | 711 | 712 | 714 | 716 | 599 | 612 | 616 | 685 | 687 | 686 | 688.0 | 756 | 741 | 736 | 735 | 734 | 733 | 732 | 731 | 730 | 643 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | ERN1 | ERN1_MOUSE | 4PL3B | Q9EQY0 | 562 | 963 | 977.0 | 31J:1001,ADP:1002 | Allosteric,ATPlike | Inactive | DFGin | 7.3343 | 13.8933 | BLBplus | -148.72, -173.45 | 55.21, 14.76 | -81.6, 169.54 | 60.69, 84.7 | 79.59, -5.1 | out-out | out | 16.5804 | Saltbr-out | 13.2885 | HRD-in | -77.64, -56.6 | 82.71, -30.85 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.6216 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -64.56, 166.09 | APE9-dihe-na | 91.33, -176.0 | APE8-dihe-in | -135.33, 135.79 | APE8-rot-in | 299.82 | APE67-dihe-inflip | 121.38, -25.98 | -48.92, 119.9 | APE12-dist-none | 999.0 | APE11-dist-out | 14.1225 | APE10-dist-out | 9.3359 | APE9-dist-in | 3.6949 | N772Y | None | None | XRAY | 2.9 | 0.202 | 0.234 | B | 435.0 | 383.0 | 19 | 31 | 18 | 13 | [[571, 832]] | 1.0 | 4pl3 | Mus musculus | OTHER_ERN1_MOUSE | CAMK | 3.2e-35 | 128.2 | 5.0 | 256.0 | 252.0 | 710 | 711 | 712 | 714 | 716 | 599 | 612 | 616 | 685 | 687 | 686 | 688.0 | 756 | 741 | 736 | 735 | 734 | 733 | 732 | 731 | 730 | 643 | 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 | ERN1 | ERN1_MOUSE | 4PL3A | Q9EQY0 | 560 | 964 | 977.0 | 31J:1001,ADP:1002 | Allosteric,ATPlike | Inactive | DFGin | 7.327 | 13.7163 | BLBplus | -137.83, -169.53 | 45.26, 38.38 | -99.01, 160.39 | 56.61, 78.79 | 64.67, 4.33 | out-out | out | 16.5791 | Saltbr-out | 12.4483 | HRD-in | -67.88, -49.57 | 75.5, 1.96 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.693 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -56.59, -179.83 | APE9-dihe-na | 70.82, 169.1 | APE8-dihe-in | -122.85, 127.5 | APE8-rot-in | 297.91 | APE67-dihe-inflip | 117.64, -32.26 | -39.31, 118.58 | APE12-dist-none | 999.0 | APE11-dist-out | 14.0611 | APE10-dist-out | 9.3121 | APE9-dist-in | 3.5586 | N772Y | None | None | XRAY | 2.9 | 0.202 | 0.234 | A | 435.0 | 388.0 | 17 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4pl3 | Mus musculus | OTHER_ERN1_MOUSE | CAMK | 3.2e-35 | 128.2 | 5.0 | 256.0 | 252.0 | 710 | 711 | 712 | 714 | 716 | 599 | 612 | 616 | 685 | 687 | 686 | 688.0 | 756 | 741 | 736 | 735 | 734 | 733 | 732 | 731 | 730 | 643 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | ERN1 | ERN1_MOUSE | 4PL3B | Q9EQY0 | 562 | 963 | 977.0 | 31J:1001,ADP:1002 | Allosteric,ATPlike | Inactive | DFGin | 7.3343 | 13.8933 | BLBplus | -148.72, -173.45 | 55.21, 14.76 | -81.6, 169.54 | 60.69, 84.7 | 79.59, -5.1 | out-out | out | 16.5804 | Saltbr-out | 13.2885 | HRD-in | -77.64, -56.6 | 82.71, -30.85 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.6216 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -64.56, 166.09 | APE9-dihe-na | 91.33, -176.0 | APE8-dihe-in | -135.33, 135.79 | APE8-rot-in | 299.82 | APE67-dihe-inflip | 121.38, -25.98 | -48.92, 119.9 | APE12-dist-none | 999.0 | APE11-dist-out | 14.1225 | APE10-dist-out | 9.3359 | APE9-dist-in | 3.6949 | N772Y | None | None | XRAY | 2.9 | 0.202 | 0.234 | B | 435.0 | 383.0 | 19 | 31 | 18 | 13 | [[571, 832]] | 1.0 | 4pl3 | Mus musculus | OTHER_ERN1_MOUSE | CAMK | 3.2e-35 | 128.2 | 5.0 | 256.0 | 252.0 | 710 | 711 | 712 | 714 | 716 | 599 | 612 | 616 | 685 | 687 | 686 | 688.0 | 756 | 741 | 736 | 735 | 734 | 733 | 732 | 731 | 730 | 643 | Serine/threonine-protein kinase/endoribonuclease IRE1 |