| 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 | 4PL4B | Q9EQY0 | 562 | 963 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 7.3927 | 13.4972 | BLBplus | -131.17, -171.5 | 49.73, 22.15 | -77.96, 172.77 | 53.0, 89.01 | 68.36, -18.97 | out-out | out | 16.1855 | Saltbr-out | 12.8674 | HRD-in | -71.43, -56.11 | 80.63, -15.27 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.3004 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioi | APE10-dihe-na | -71.5, 161.7 | APE9-dihe-na | 95.56, 170.85 | APE8-dihe-in | -126.15, 140.57 | APE8-rot-in | 313.23 | APE67-dihe-inflip | 115.41, -9.81 | -59.18, 119.64 | APE12-dist-none | 999.0 | APE11-dist-in | 13.3728 | APE10-dist-out | 8.9632 | APE9-dist-in | 3.3017 | N772Y | None | None | XRAY | 3.0 | 0.213 | 0.276 | B | 435.0 | 384.0 | 18 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4pl4 | 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 | 4PL4C | Q9EQY0 | 562 | 963 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 7.5482 | 14.2484 | BLBplus | -126.51, -173.84 | 57.1, 11.03 | -79.33, 148.55 | 56.35, 128.67 | 90.22, -11.73 | out-out | out | 16.9717 | Saltbr-out | 13.4493 | HRD-in | -87.09, -33.21 | 64.61, -28.11 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.6681 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioi | APE10-dihe-na | -75.07, 168.04 | APE9-dihe-na | 83.31, 160.45 | APE8-dihe-in | -117.06, 150.3 | APE8-rot-out | 84.63 | APE67-dihe-inflip | 114.33, -11.46 | -59.41, 124.52 | APE12-dist-none | 999.0 | APE11-dist-in | 13.4836 | APE10-dist-out | 8.4493 | APE9-dist-in | 3.5542 | N772Y | None | None | XRAY | 3.0 | 0.213 | 0.276 | C | 435.0 | 384.0 | 18 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4pl4 | 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 | 4PL4D | Q9EQY0 | 562 | 961 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 7.5079 | 13.71 | BLBplus | -135.47, -173.14 | 51.5, 21.77 | -87.04, 144.38 | 56.66, 114.14 | 91.93, -17.13 | out-out | out | 15.9791 | Saltbr-out | 13.3396 | HRD-in | -83.86, -32.09 | 72.35, -48.88 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.328 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioi | APE10-dihe-na | -70.73, 154.49 | APE9-dihe-na | 96.39, -168.63 | APE8-dihe-in | -140.56, 130.56 | APE8-rot-in | 311.25 | APE67-dihe-inflip | 116.72, -15.16 | -51.06, 117.77 | APE12-dist-none | 999.0 | APE11-dist-in | 13.9703 | APE10-dist-out | 9.1376 | APE9-dist-in | 3.9224 | N772Y | None | None | XRAY | 3.0 | 0.213 | 0.276 | D | 435.0 | 377.0 | 18 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4pl4 | 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 | 4PL4A | Q9EQY0 | 562 | 963 | 977.0 | 31K:1001,ADP:1002 | Allosteric,ATPlike | Inactive | DFGin | 6.7883 | 14.2186 | BLBplus | -105.14, -174.11 | 44.38, 29.11 | -94.38, 143.46 | 69.8, 104.54 | 103.76, -33.08 | out-out | out | 16.6052 | Saltbr-out | 13.2732 | HRD-in | -77.26, -47.59 | 71.94, -10.31 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.5629 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -61.91, 153.92 | APE9-dihe-na | 102.53, -174.53 | APE8-dihe-in | -133.87, 129.13 | APE8-rot-in | 297.04 | APE67-dihe-inflip | 119.89, -24.27 | -52.28, 118.86 | APE12-dist-none | 999.0 | APE11-dist-out | 14.3788 | APE10-dist-out | 9.4324 | APE9-dist-in | 3.2964 | N772Y | None | None | XRAY | 3.0 | 0.213 | 0.276 | A | 435.0 | 385.0 | 17 | 31 | 20 | 11 | [[571, 832]] | 1.0 | 4pl4 | 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 | 4PL4B | Q9EQY0 | 562 | 963 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 7.3927 | 13.4972 | BLBplus | -131.17, -171.5 | 49.73, 22.15 | -77.96, 172.77 | 53.0, 89.01 | 68.36, -18.97 | out-out | out | 16.1855 | Saltbr-out | 12.8674 | HRD-in | -71.43, -56.11 | 80.63, -15.27 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.3004 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioi | APE10-dihe-na | -71.5, 161.7 | APE9-dihe-na | 95.56, 170.85 | APE8-dihe-in | -126.15, 140.57 | APE8-rot-in | 313.23 | APE67-dihe-inflip | 115.41, -9.81 | -59.18, 119.64 | APE12-dist-none | 999.0 | APE11-dist-in | 13.3728 | APE10-dist-out | 8.9632 | APE9-dist-in | 3.3017 | N772Y | None | None | XRAY | 3.0 | 0.213 | 0.276 | B | 435.0 | 384.0 | 18 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4pl4 | 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 | 4PL4C | Q9EQY0 | 562 | 963 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 7.5482 | 14.2484 | BLBplus | -126.51, -173.84 | 57.1, 11.03 | -79.33, 148.55 | 56.35, 128.67 | 90.22, -11.73 | out-out | out | 16.9717 | Saltbr-out | 13.4493 | HRD-in | -87.09, -33.21 | 64.61, -28.11 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.6681 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioi | APE10-dihe-na | -75.07, 168.04 | APE9-dihe-na | 83.31, 160.45 | APE8-dihe-in | -117.06, 150.3 | APE8-rot-out | 84.63 | APE67-dihe-inflip | 114.33, -11.46 | -59.41, 124.52 | APE12-dist-none | 999.0 | APE11-dist-in | 13.4836 | APE10-dist-out | 8.4493 | APE9-dist-in | 3.5542 | N772Y | None | None | XRAY | 3.0 | 0.213 | 0.276 | C | 435.0 | 384.0 | 18 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4pl4 | 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 | 4PL4D | Q9EQY0 | 562 | 961 | 977.0 | ADP:1001 | ATPlike | Inactive | DFGin | 7.5079 | 13.71 | BLBplus | -135.47, -173.14 | 51.5, 21.77 | -87.04, 144.38 | 56.66, 114.14 | 91.93, -17.13 | out-out | out | 15.9791 | Saltbr-out | 13.3396 | HRD-in | -83.86, -32.09 | 72.35, -48.88 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.328 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioi | APE10-dihe-na | -70.73, 154.49 | APE9-dihe-na | 96.39, -168.63 | APE8-dihe-in | -140.56, 130.56 | APE8-rot-in | 311.25 | APE67-dihe-inflip | 116.72, -15.16 | -51.06, 117.77 | APE12-dist-none | 999.0 | APE11-dist-in | 13.9703 | APE10-dist-out | 9.1376 | APE9-dist-in | 3.9224 | N772Y | None | None | XRAY | 3.0 | 0.213 | 0.276 | D | 435.0 | 377.0 | 18 | 31 | 19 | 12 | [[571, 832]] | 1.0 | 4pl4 | 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 | 4PL4A | Q9EQY0 | 562 | 963 | 977.0 | 31K:1001,ADP:1002 | Allosteric,ATPlike | Inactive | DFGin | 6.7883 | 14.2186 | BLBplus | -105.14, -174.11 | 44.38, 29.11 | -94.38, 143.46 | 69.8, 104.54 | 103.76, -33.08 | out-out | out | 16.6052 | Saltbr-out | 13.2732 | HRD-in | -77.26, -47.59 | 71.94, -10.31 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.5629 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -61.91, 153.92 | APE9-dihe-na | 102.53, -174.53 | APE8-dihe-in | -133.87, 129.13 | APE8-rot-in | 297.04 | APE67-dihe-inflip | 119.89, -24.27 | -52.28, 118.86 | APE12-dist-none | 999.0 | APE11-dist-out | 14.3788 | APE10-dist-out | 9.4324 | APE9-dist-in | 3.2964 | N772Y | None | None | XRAY | 3.0 | 0.213 | 0.276 | A | 435.0 | 385.0 | 17 | 31 | 20 | 11 | [[571, 832]] | 1.0 | 4pl4 | 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 |