| 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 | 6W3EB | O75460 | 563 | 963 | 977.0 | SJV:1001 | Type1.5_Back | Inactive | DFGin | 5.7951 | 15.5172 | BLAminus | -141.88, 176.99 | 63.2, 84.04 | -105.56, 28.54 | 300.08, 169.13 | -67.07, -42.47 | out-out | out | 10.1071 | Saltbr-out | 5.7074 | HRD-out | -80.93, 139.0 | -122.23, -35.4 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9439 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, -5.99 | APE9-dihe-na | -74.91, 153.53 | APE8-dihe-out | 63.33, 175.78 | APE8-rot-out | 67.1 | APE67-dihe-inflip | 108.9, -22.83 | -150.99, 138.99 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.1462 | APE9-dist-out | 6.983 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.737 | 0.267 | 0.317 | B | 431.0 | 389.0 | 12 | 31 | 27 | 4 | [[571, 832]] | 1.0 | 6w3e | 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 | 6W3EA | O75460 | 562 | 962 | 977.0 | SJV:1001 | Type1.5_Front | Inactive | DFGin | 5.5595 | 15.899 | BLAminus | -140.85, 172.03 | 60.0, 89.13 | -100.99, 31.09 | 302.24, 167.69 | 86.31, 999.0 | out-out | out | 10.5839 | Saltbr-out | 7.0561 | HRD-out | -78.48, 138.54 | -121.69, -39.51 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | 110.12, -20.7 | 999.0, 1.45 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.737 | 0.267 | 0.317 | A | 431.0 | 366.0 | 31 | 31 | 10 | 21 | [[571, 832]] | 1.0 | 6w3e | 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 | 6W3EB | O75460 | 563 | 963 | 977.0 | SJV:1001 | Type1.5_Back | Inactive | DFGin | 5.7951 | 15.5172 | BLAminus | -141.88, 176.99 | 63.2, 84.04 | -105.56, 28.54 | 300.08, 169.13 | -67.07, -42.47 | out-out | out | 10.1071 | Saltbr-out | 5.7074 | HRD-out | -80.93, 139.0 | -122.23, -35.4 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9439 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, -5.99 | APE9-dihe-na | -74.91, 153.53 | APE8-dihe-out | 63.33, 175.78 | APE8-rot-out | 67.1 | APE67-dihe-inflip | 108.9, -22.83 | -150.99, 138.99 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.1462 | APE9-dist-out | 6.983 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.737 | 0.267 | 0.317 | B | 431.0 | 389.0 | 12 | 31 | 27 | 4 | [[571, 832]] | 1.0 | 6w3e | 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 | 6W3EA | O75460 | 562 | 962 | 977.0 | SJV:1001 | Type1.5_Front | Inactive | DFGin | 5.5595 | 15.899 | BLAminus | -140.85, 172.03 | 60.0, 89.13 | -100.99, 31.09 | 302.24, 167.69 | 86.31, 999.0 | out-out | out | 10.5839 | Saltbr-out | 7.0561 | HRD-out | -78.48, 138.54 | -121.69, -39.51 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | 110.12, -20.7 | 999.0, 1.45 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | SEP724,SEP726,SEP729 | SEP724,SEP726,SEP729 | XRAY | 2.737 | 0.267 | 0.317 | A | 431.0 | 366.0 | 31 | 31 | 10 | 21 | [[571, 832]] | 1.0 | 6w3e | 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 |
|---|