| 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 | 6URCA | O75460 | 560 | 963 | 977.0 | QFV:1001 | Type1.5_Back | Inactive | DFGin | 7.1706 | 14.4305 | BLAminus | -137.78, -167.93 | 65.57, 72.79 | -93.53, 16.27 | 296.4, 97.38 | -65.24, -15.16 | out-out | out | 10.0779 | Saltbr-out | 5.427 | HRD-in | -79.31, -54.62 | 74.23, 3.96 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8375 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -93.3, -9.99 | APE9-dihe-na | 149.54, -144.19 | APE8-dihe-in | -113.92, 127.41 | APE8-rot-in | 303.4 | APE67-dihe-inflip | 100.0, -7.56 | -46.92, 125.76 | APE12-dist-in | 10.921 | APE11-dist-out | 7.2611 | APE10-dist-out | 9.666 | APE9-dist-in | 3.8013 | None | None | None | XRAY | 2.2 | 0.223 | 0.274 | A | 434.0 | 400.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6urc | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.8 | 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 | 6URCB | O75460 | 560 | 963 | 977.0 | QFV:1001 | Type1.5_Back | Inactive | DFGin | 7.0508 | 14.2247 | BLAminus | -133.22, -173.47 | 69.03, 75.97 | -95.56, 16.52 | 300.55, 96.62 | -60.7, -19.84 | out-out | out | 10.0619 | Saltbr-out | 5.5802 | HRD-in | -76.52, -51.32 | 73.26, 7.62 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7292 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -86.29, -17.31 | APE9-dihe-na | 144.52, -148.41 | APE8-dihe-in | -105.98, 124.4 | APE8-rot-in | 298.12 | APE67-dihe-inflip | 103.6, -12.44 | -49.39, 126.46 | APE12-dist-in | 10.8169 | APE11-dist-out | 7.0837 | APE10-dist-out | 9.909 | APE9-dist-in | 3.837 | None | None | None | XRAY | 2.2 | 0.223 | 0.274 | B | 434.0 | 398.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6urc | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.8 | 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 | 6URCA | O75460 | 560 | 963 | 977.0 | QFV:1001 | Type1.5_Back | Inactive | DFGin | 7.1706 | 14.4305 | BLAminus | -137.78, -167.93 | 65.57, 72.79 | -93.53, 16.27 | 296.4, 97.38 | -65.24, -15.16 | out-out | out | 10.0779 | Saltbr-out | 5.427 | HRD-in | -79.31, -54.62 | 74.23, 3.96 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8375 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -93.3, -9.99 | APE9-dihe-na | 149.54, -144.19 | APE8-dihe-in | -113.92, 127.41 | APE8-rot-in | 303.4 | APE67-dihe-inflip | 100.0, -7.56 | -46.92, 125.76 | APE12-dist-in | 10.921 | APE11-dist-out | 7.2611 | APE10-dist-out | 9.666 | APE9-dist-in | 3.8013 | None | None | None | XRAY | 2.2 | 0.223 | 0.274 | A | 434.0 | 400.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6urc | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.8 | 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 | 6URCB | O75460 | 560 | 963 | 977.0 | QFV:1001 | Type1.5_Back | Inactive | DFGin | 7.0508 | 14.2247 | BLAminus | -133.22, -173.47 | 69.03, 75.97 | -95.56, 16.52 | 300.55, 96.62 | -60.7, -19.84 | out-out | out | 10.0619 | Saltbr-out | 5.5802 | HRD-in | -76.52, -51.32 | 73.26, 7.62 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7292 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -86.29, -17.31 | APE9-dihe-na | 144.52, -148.41 | APE8-dihe-in | -105.98, 124.4 | APE8-rot-in | 298.12 | APE67-dihe-inflip | 103.6, -12.44 | -49.39, 126.46 | APE12-dist-in | 10.8169 | APE11-dist-out | 7.0837 | APE10-dist-out | 9.909 | APE9-dist-in | 3.837 | None | None | None | XRAY | 2.2 | 0.223 | 0.274 | B | 434.0 | 398.0 | 0 | 31 | 31 | 0 | [[571, 832]] | 1.0 | 6urc | Homo sapiens | OTHER_ERN1_HUMAN | CAMK | 3.4e-35 | 127.8 | 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 |
|---|