| 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 | AF-O75460-K1A | O75460 | 561 | 840 | 977.0 | No_ligand | No_ligand | Active | DFGin | 5.2263 | 14.3584 | BLAminus | -136.1, 174.69 | 62.75, 82.9 | -90.11, 8.09 | 278.92, 58.01 | -56.59, -35.42 | in-in | in | 8.6229 | Saltbr-in | 2.7387 | HRD-in | -70.55, -49.28 | 65.1, -0.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8855 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -69.61, 153.38 | APE9-dihe-na | 118.83, 174.73 | APE8-dihe-in | -98.29, 131.32 | APE8-rot-in | 303.59 | APE67-dihe-inflip | 83.09, -9.62 | -47.44, 134.97 | APE12-dist-in | 10.8728 | APE11-dist-in | 11.1467 | APE10-dist-in | 5.2379 | APE9-dist-in | 3.29 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 280.0 | 280.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | AF-O75460-K1 | OTHER_ERN1_HUMAN | CAMK | 8.3e-36 | 129.6 | 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 | AF-O75460-K3A | O75460 | 561 | 840 | 977.0 | No_ligand | No_ligand | Active | DFGin | 5.2492 | 14.1487 | BLAminus | -135.31, -174.96 | 58.8, 76.05 | -86.75, 1.33 | 278.92, 66.56 | -57.5, -35.04 | in-in | in | 8.4609 | Saltbr-in | 2.6786 | HRD-in | -73.71, -47.28 | 67.17, -7.9 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7771 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -67.31, 152.38 | APE9-dihe-na | 117.01, 175.14 | APE8-dihe-in | -93.16, 133.21 | APE8-rot-in | 303.49 | APE67-dihe-inflip | 79.17, -0.04 | -48.5, 133.79 | APE12-dist-in | 10.8937 | APE11-dist-in | 11.1975 | APE10-dist-in | 5.3029 | APE9-dist-in | 3.4198 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 280.0 | 280.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | AF-O75460-K3 | OTHER_ERN1_HUMAN | CAMK | 8.3e-36 | 129.6 | 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 | AF-O75460-K1A | O75460 | 561 | 840 | 977.0 | No_ligand | No_ligand | Active | DFGin | 5.2263 | 14.3584 | BLAminus | -136.1, 174.69 | 62.75, 82.9 | -90.11, 8.09 | 278.92, 58.01 | -56.59, -35.42 | in-in | in | 8.6229 | Saltbr-in | 2.7387 | HRD-in | -70.55, -49.28 | 65.1, -0.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8855 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -69.61, 153.38 | APE9-dihe-na | 118.83, 174.73 | APE8-dihe-in | -98.29, 131.32 | APE8-rot-in | 303.59 | APE67-dihe-inflip | 83.09, -9.62 | -47.44, 134.97 | APE12-dist-in | 10.8728 | APE11-dist-in | 11.1467 | APE10-dist-in | 5.2379 | APE9-dist-in | 3.29 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 280.0 | 280.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | AF-O75460-K1 | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 8.3e-36 | 129.6 | 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 | AF-O75460-K3A | O75460 | 561 | 840 | 977.0 | No_ligand | No_ligand | Active | DFGin | 5.2492 | 14.1487 | BLAminus | -135.31, -174.96 | 58.8, 76.05 | -86.75, 1.33 | 278.92, 66.56 | -57.5, -35.04 | in-in | in | 8.4609 | Saltbr-in | 2.6786 | HRD-in | -73.71, -47.28 | 67.17, -7.9 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7771 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -67.31, 152.38 | APE9-dihe-na | 117.01, 175.14 | APE8-dihe-in | -93.16, 133.21 | APE8-rot-in | 303.49 | APE67-dihe-inflip | 79.17, -0.04 | -48.5, 133.79 | APE12-dist-in | 10.8937 | APE11-dist-in | 11.1975 | APE10-dist-in | 5.3029 | APE9-dist-in | 3.4198 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 280.0 | 280.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | AF-O75460-K3 | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 8.3e-36 | 129.6 | 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 |
|---|