| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | ERN1 | ERN1_HUMAN | 6XDFB | O75460 | 562 | 964 | 977.0 | No_ligand | No_ligand | Inactive | DFGin | 5.7339 | 14.8635 | BLAminus | -147.47, -177.07 | 57.93, 76.76 | -96.5, 15.93 | 283.55, 47.82 | -59.81, -43.08 | in-in | in | 8.2284 | Saltbr-in | 2.7368 | HRD-in | -73.76, -49.3 | 76.45, -0.87 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.876 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnio | APE10-dihe-na | 999.0, -169.01 | APE9-dihe-na | 101.44, -83.65 | APE8-dihe-in | -134.49, 143.31 | APE8-rot-in | 313.33 | APE67-dihe-inflip | 129.9, -41.41 | -81.7, 159.95 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 7.524 | APE9-dist-out | 7.4378 | None | None | None | XRAY | 2.54 | 0.209 | 0.263 | B | 431.0 | 400.0 | 3 | 31 | 29 | 2 | [[571, 832]] | 1.0 | 6xdf | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.9 | 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_HUMAN | 6XDFA | O75460 | 560 | 966 | 977.0 | N94:1002 | Type1.5_Back | Inactive | DFGin | 6.3826 | 15.1993 | BLAminus | -130.29, -176.4 | 60.9, 76.83 | -90.68, 29.29 | 294.67, 76.62 | -70.73, -33.39 | out-out | out | 10.1564 | Saltbr-out | 5.0934 | HRD-in | -82.04, -48.49 | 78.58, -9.6 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.0092 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -73.17, -32.0 | APE9-dihe-na | 161.12, -145.76 | APE8-dihe-in | -111.23, 117.63 | APE8-rot-in | 300.24 | APE67-dihe-inflip | 110.41, -26.97 | -49.33, 126.92 | APE12-dist-in | 7.6298 | APE11-dist-out | 6.918 | APE10-dist-out | 9.7984 | APE9-dist-in | 3.8602 | None | None | None | XRAY | 2.54 | 0.209 | 0.263 | A | 431.0 | 402.0 | 5 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6xdf | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.9 | 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_HUMAN | 6XDFB | O75460 | 562 | 964 | 977.0 | No_ligand | No_ligand | Inactive | DFGin | 5.7339 | 14.8635 | BLAminus | -147.47, -177.07 | 57.93, 76.76 | -96.5, 15.93 | 283.55, 47.82 | -59.81, -43.08 | in-in | in | 8.2284 | Saltbr-in | 2.7368 | HRD-in | -73.76, -49.3 | 76.45, -0.87 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.876 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnio | APE10-dihe-na | 999.0, -169.01 | APE9-dihe-na | 101.44, -83.65 | APE8-dihe-in | -134.49, 143.31 | APE8-rot-in | 313.33 | APE67-dihe-inflip | 129.9, -41.41 | -81.7, 159.95 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 7.524 | APE9-dist-out | 7.4378 | None | None | None | XRAY | 2.54 | 0.209 | 0.263 | B | 431.0 | 400.0 | 3 | 31 | 29 | 2 | [[571, 832]] | 1.0 | 6xdf | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.9 | 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_HUMAN | 6XDFA | O75460 | 560 | 966 | 977.0 | N94:1002 | Type1.5_Back | Inactive | DFGin | 6.3826 | 15.1993 | BLAminus | -130.29, -176.4 | 60.9, 76.83 | -90.68, 29.29 | 294.67, 76.62 | -70.73, -33.39 | out-out | out | 10.1564 | Saltbr-out | 5.0934 | HRD-in | -82.04, -48.49 | 78.58, -9.6 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.0092 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -73.17, -32.0 | APE9-dihe-na | 161.12, -145.76 | APE8-dihe-in | -111.23, 117.63 | APE8-rot-in | 300.24 | APE67-dihe-inflip | 110.41, -26.97 | -49.33, 126.92 | APE12-dist-in | 7.6298 | APE11-dist-out | 6.918 | APE10-dist-out | 9.7984 | APE9-dist-in | 3.8602 | None | None | None | XRAY | 2.54 | 0.209 | 0.263 | A | 431.0 | 402.0 | 5 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6xdf | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.9 | 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 |
| 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 |
|---|