| 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 | IRE1 | IRE1_YEAST | 3FBVA | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7045 | 14.0181 | BLAminus | -155.94, -171.83 | 51.84, 75.56 | -90.71, 16.67 | 284.93, 54.03 | -51.12, -47.5 | in-in | in | 8.2265 | Saltbr-in | 2.882 | HRD-out | -65.37, 168.2 | -142.48, -40.22 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9201 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.64, -71.57 | APE9-dihe-na | -48.48, -43.22 | APE8-dihe-out | -62.92, -22.72 | APE8-rot-in | 321.13 | APE67-dihe-in | -67.45, -5.69 | -81.19, 4.2 | APE12-dist-in | 11.8641 | APE11-dist-in | 13.3547 | APE10-dist-out | 16.9216 | APE9-dist-out | 12.4144 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | A | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVB | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6927 | 14.0049 | BLAminus | -155.81, -172.72 | 52.4, 76.14 | -90.25, 17.16 | 285.13, 54.57 | -51.5, -48.41 | in-in | in | 8.2089 | Saltbr-in | 2.8896 | HRD-out | -65.21, 168.65 | -143.41, -39.41 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9094 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.49, -70.89 | APE9-dihe-na | -48.37, -43.74 | APE8-dihe-out | -62.39, -22.65 | APE8-rot-in | 321.26 | APE67-dihe-in | -67.5, -6.25 | -81.2, 4.55 | APE12-dist-in | 11.8586 | APE11-dist-in | 13.3504 | APE10-dist-out | 16.897 | APE9-dist-out | 12.4411 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | B | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVC | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7014 | 14.0225 | BLAminus | -155.56, -172.1 | 52.0, 74.67 | -89.02, 16.83 | 285.94, 55.3 | -51.44, -48.21 | in-in | in | 8.2125 | Saltbr-in | 2.8597 | HRD-out | -65.9, 169.36 | -142.91, -40.42 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8918 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -67.96, -71.8 | APE9-dihe-na | -48.56, -43.53 | APE8-dihe-out | -62.69, -22.67 | APE8-rot-in | 320.74 | APE67-dihe-in | -66.41, -6.37 | -80.68, 3.45 | APE12-dist-in | 11.8607 | APE11-dist-in | 13.3501 | APE10-dist-out | 16.924 | APE9-dist-out | 12.4694 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | C | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVD | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6806 | 13.9928 | BLAminus | -155.13, -173.01 | 52.6, 74.31 | -88.7, 16.58 | 285.55, 54.27 | -51.01, -47.76 | in-in | in | 8.207 | Saltbr-in | 2.8732 | HRD-out | -65.8, 168.8 | -142.68, -39.31 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8979 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.87, -71.59 | APE9-dihe-na | -48.13, -43.88 | APE8-dihe-out | -62.92, -22.21 | APE8-rot-in | 320.9 | APE67-dihe-in | -66.86, -6.08 | -81.23, 4.34 | APE12-dist-in | 11.8637 | APE11-dist-in | 13.357 | APE10-dist-out | 16.9177 | APE9-dist-out | 12.4456 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | D | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVE | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6693 | 13.996 | BLAminus | -155.73, -172.56 | 52.63, 75.51 | -90.42, 16.46 | 285.18, 54.55 | -50.68, -48.18 | in-in | in | 8.2055 | Saltbr-in | 2.8547 | HRD-out | -66.24, 168.16 | -142.69, -39.82 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8967 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.62, -71.54 | APE9-dihe-na | -47.96, -44.17 | APE8-dihe-out | -62.9, -22.53 | APE8-rot-in | 320.95 | APE67-dihe-in | -67.45, -6.85 | -80.89, 4.84 | APE12-dist-in | 11.8719 | APE11-dist-in | 13.3611 | APE10-dist-out | 16.9208 | APE9-dist-out | 12.4227 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | E | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVF | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7087 | 14.029 | BLAminus | -156.5, -172.41 | 52.56, 74.53 | -89.72, 17.29 | 285.3, 54.51 | -52.05, -47.38 | in-in | in | 8.207 | Saltbr-in | 2.8274 | HRD-out | -65.22, 168.44 | -142.39, -39.81 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9023 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.01, -71.75 | APE9-dihe-na | -47.94, -44.27 | APE8-dihe-out | -62.39, -22.42 | APE8-rot-in | 321.14 | APE67-dihe-in | -68.2, -4.95 | -81.14, 4.25 | APE12-dist-in | 11.8691 | APE11-dist-in | 13.3648 | APE10-dist-out | 16.9216 | APE9-dist-out | 12.4432 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | F | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVG | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6801 | 14.0021 | BLAminus | -155.85, -172.76 | 52.32, 75.2 | -90.36, 16.74 | 285.35, 53.85 | -50.76, -48.27 | in-in | in | 8.2089 | Saltbr-in | 2.8606 | HRD-out | -65.41, 167.47 | -142.49, -40.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9002 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.98, -71.4 | APE9-dihe-na | -48.52, -43.35 | APE8-dihe-out | -62.87, -22.64 | APE8-rot-in | 320.97 | APE67-dihe-in | -68.88, -5.32 | -81.1, 5.04 | APE12-dist-in | 11.8633 | APE11-dist-in | 13.3548 | APE10-dist-out | 16.915 | APE9-dist-out | 12.4239 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | G | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVH | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6894 | 14.017 | BLAminus | -155.63, -172.16 | 52.36, 75.16 | -90.66, 17.09 | 285.24, 53.64 | -51.1, -47.55 | in-in | in | 8.2029 | Saltbr-in | 2.845 | HRD-out | -65.19, 167.39 | -142.19, -40.16 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9259 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.93, -71.32 | APE9-dihe-na | -48.49, -43.44 | APE8-dihe-out | -63.24, -22.34 | APE8-rot-in | 320.8 | APE67-dihe-in | -68.45, -5.21 | -81.25, 5.03 | APE12-dist-in | 11.8605 | APE11-dist-in | 13.3537 | APE10-dist-out | 16.9122 | APE9-dist-out | 12.416 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | H | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVI | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7137 | 14.0168 | BLAminus | -156.02, -172.35 | 52.06, 75.31 | -90.02, 16.62 | 285.55, 53.98 | -51.0, -47.91 | in-in | in | 8.21 | Saltbr-in | 2.8491 | HRD-out | -65.09, 167.81 | -142.72, -40.77 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9029 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.32, -71.61 | APE9-dihe-na | -48.37, -43.48 | APE8-dihe-out | -62.95, -22.66 | APE8-rot-in | 321.08 | APE67-dihe-in | -68.73, -5.3 | -80.88, 4.84 | APE12-dist-in | 11.843 | APE11-dist-in | 13.3499 | APE10-dist-out | 16.9126 | APE9-dist-out | 12.4344 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | I | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVJ | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.69 | 14.0122 | BLAminus | -155.85, -172.44 | 52.57, 75.34 | -90.52, 16.37 | 285.27, 53.91 | -50.64, -47.8 | in-in | in | 8.2015 | Saltbr-in | 2.8516 | HRD-out | -65.21, 168.05 | -142.86, -40.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.913 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.02, -71.29 | APE9-dihe-na | -48.68, -43.34 | APE8-dihe-out | -63.13, -22.6 | APE8-rot-in | 320.84 | APE67-dihe-in | -68.73, -5.07 | -80.86, 4.78 | APE12-dist-in | 11.8584 | APE11-dist-in | 13.3534 | APE10-dist-out | 16.9174 | APE9-dist-out | 12.4274 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | J | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVK | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6913 | 14.0074 | BLAminus | -156.26, -172.13 | 51.99, 75.85 | -90.75, 16.87 | 285.07, 54.48 | -51.1, -47.86 | in-in | in | 8.2125 | Saltbr-in | 2.8267 | HRD-out | -65.48, 167.26 | -142.09, -40.2 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9082 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.03, -71.43 | APE9-dihe-na | -48.67, -43.3 | APE8-dihe-out | -62.84, -22.69 | APE8-rot-in | 320.9 | APE67-dihe-in | -68.45, -5.64 | -81.1, 4.88 | APE12-dist-in | 11.857 | APE11-dist-in | 13.3527 | APE10-dist-out | 16.9108 | APE9-dist-out | 12.4345 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | K | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVL | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7033 | 14.0123 | BLAminus | -155.79, -172.44 | 52.01, 75.2 | -90.74, 17.2 | 285.43, 54.09 | -51.45, -47.79 | in-in | in | 8.2115 | Saltbr-in | 2.8493 | HRD-out | -65.26, 167.87 | -142.94, -40.28 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9005 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.81, -71.59 | APE9-dihe-na | -48.24, -43.79 | APE8-dihe-out | -62.8, -22.54 | APE8-rot-in | 320.86 | APE67-dihe-in | -68.12, -5.45 | -81.06, 4.67 | APE12-dist-in | 11.8618 | APE11-dist-in | 13.3578 | APE10-dist-out | 16.9256 | APE9-dist-out | 12.4266 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | L | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVM | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6969 | 14.0124 | BLAminus | -156.04, -172.14 | 51.82, 75.37 | -89.83, 16.81 | 285.35, 54.26 | -51.35, -47.4 | in-in | in | 8.2099 | Saltbr-in | 2.8442 | HRD-out | -66.69, 167.72 | -142.42, -40.06 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9135 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.59, -71.54 | APE9-dihe-na | -48.4, -43.24 | APE8-dihe-out | -63.11, -22.55 | APE8-rot-in | 321.07 | APE67-dihe-in | -67.8, -5.48 | -81.21, 4.6 | APE12-dist-in | 11.866 | APE11-dist-in | 13.3548 | APE10-dist-out | 16.9192 | APE9-dist-out | 12.4256 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | M | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVN | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6942 | 14.0267 | BLAminus | -156.62, -171.86 | 51.92, 75.49 | -90.2, 17.25 | 284.59, 54.76 | -51.95, -47.33 | in-in | in | 8.2044 | Saltbr-in | 2.8129 | HRD-out | -65.53, 169.2 | -143.21, -40.58 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9135 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.63, -71.51 | APE9-dihe-na | -48.37, -43.89 | APE8-dihe-out | -62.53, -22.39 | APE8-rot-in | 321.21 | APE67-dihe-in | -66.15, -6.02 | -81.75, 3.84 | APE12-dist-in | 11.8589 | APE11-dist-in | 13.359 | APE10-dist-out | 16.9158 | APE9-dist-out | 12.438 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | N | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | 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 | IRE1 | IRE1_YEAST | 3FBVA | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7045 | 14.0181 | BLAminus | -155.94, -171.83 | 51.84, 75.56 | -90.71, 16.67 | 284.93, 54.03 | -51.12, -47.5 | in-in | in | 8.2265 | Saltbr-in | 2.882 | HRD-out | -65.37, 168.2 | -142.48, -40.22 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9201 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.64, -71.57 | APE9-dihe-na | -48.48, -43.22 | APE8-dihe-out | -62.92, -22.72 | APE8-rot-in | 321.13 | APE67-dihe-in | -67.45, -5.69 | -81.19, 4.2 | APE12-dist-in | 11.8641 | APE11-dist-in | 13.3547 | APE10-dist-out | 16.9216 | APE9-dist-out | 12.4144 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | A | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVB | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6927 | 14.0049 | BLAminus | -155.81, -172.72 | 52.4, 76.14 | -90.25, 17.16 | 285.13, 54.57 | -51.5, -48.41 | in-in | in | 8.2089 | Saltbr-in | 2.8896 | HRD-out | -65.21, 168.65 | -143.41, -39.41 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9094 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.49, -70.89 | APE9-dihe-na | -48.37, -43.74 | APE8-dihe-out | -62.39, -22.65 | APE8-rot-in | 321.26 | APE67-dihe-in | -67.5, -6.25 | -81.2, 4.55 | APE12-dist-in | 11.8586 | APE11-dist-in | 13.3504 | APE10-dist-out | 16.897 | APE9-dist-out | 12.4411 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | B | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVC | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7014 | 14.0225 | BLAminus | -155.56, -172.1 | 52.0, 74.67 | -89.02, 16.83 | 285.94, 55.3 | -51.44, -48.21 | in-in | in | 8.2125 | Saltbr-in | 2.8597 | HRD-out | -65.9, 169.36 | -142.91, -40.42 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8918 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -67.96, -71.8 | APE9-dihe-na | -48.56, -43.53 | APE8-dihe-out | -62.69, -22.67 | APE8-rot-in | 320.74 | APE67-dihe-in | -66.41, -6.37 | -80.68, 3.45 | APE12-dist-in | 11.8607 | APE11-dist-in | 13.3501 | APE10-dist-out | 16.924 | APE9-dist-out | 12.4694 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | C | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVD | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6806 | 13.9928 | BLAminus | -155.13, -173.01 | 52.6, 74.31 | -88.7, 16.58 | 285.55, 54.27 | -51.01, -47.76 | in-in | in | 8.207 | Saltbr-in | 2.8732 | HRD-out | -65.8, 168.8 | -142.68, -39.31 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8979 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.87, -71.59 | APE9-dihe-na | -48.13, -43.88 | APE8-dihe-out | -62.92, -22.21 | APE8-rot-in | 320.9 | APE67-dihe-in | -66.86, -6.08 | -81.23, 4.34 | APE12-dist-in | 11.8637 | APE11-dist-in | 13.357 | APE10-dist-out | 16.9177 | APE9-dist-out | 12.4456 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | D | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVE | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6693 | 13.996 | BLAminus | -155.73, -172.56 | 52.63, 75.51 | -90.42, 16.46 | 285.18, 54.55 | -50.68, -48.18 | in-in | in | 8.2055 | Saltbr-in | 2.8547 | HRD-out | -66.24, 168.16 | -142.69, -39.82 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8967 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.62, -71.54 | APE9-dihe-na | -47.96, -44.17 | APE8-dihe-out | -62.9, -22.53 | APE8-rot-in | 320.95 | APE67-dihe-in | -67.45, -6.85 | -80.89, 4.84 | APE12-dist-in | 11.8719 | APE11-dist-in | 13.3611 | APE10-dist-out | 16.9208 | APE9-dist-out | 12.4227 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | E | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVF | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7087 | 14.029 | BLAminus | -156.5, -172.41 | 52.56, 74.53 | -89.72, 17.29 | 285.3, 54.51 | -52.05, -47.38 | in-in | in | 8.207 | Saltbr-in | 2.8274 | HRD-out | -65.22, 168.44 | -142.39, -39.81 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9023 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.01, -71.75 | APE9-dihe-na | -47.94, -44.27 | APE8-dihe-out | -62.39, -22.42 | APE8-rot-in | 321.14 | APE67-dihe-in | -68.2, -4.95 | -81.14, 4.25 | APE12-dist-in | 11.8691 | APE11-dist-in | 13.3648 | APE10-dist-out | 16.9216 | APE9-dist-out | 12.4432 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | F | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVG | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6801 | 14.0021 | BLAminus | -155.85, -172.76 | 52.32, 75.2 | -90.36, 16.74 | 285.35, 53.85 | -50.76, -48.27 | in-in | in | 8.2089 | Saltbr-in | 2.8606 | HRD-out | -65.41, 167.47 | -142.49, -40.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9002 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.98, -71.4 | APE9-dihe-na | -48.52, -43.35 | APE8-dihe-out | -62.87, -22.64 | APE8-rot-in | 320.97 | APE67-dihe-in | -68.88, -5.32 | -81.1, 5.04 | APE12-dist-in | 11.8633 | APE11-dist-in | 13.3548 | APE10-dist-out | 16.915 | APE9-dist-out | 12.4239 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | G | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVH | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6894 | 14.017 | BLAminus | -155.63, -172.16 | 52.36, 75.16 | -90.66, 17.09 | 285.24, 53.64 | -51.1, -47.55 | in-in | in | 8.2029 | Saltbr-in | 2.845 | HRD-out | -65.19, 167.39 | -142.19, -40.16 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9259 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.93, -71.32 | APE9-dihe-na | -48.49, -43.44 | APE8-dihe-out | -63.24, -22.34 | APE8-rot-in | 320.8 | APE67-dihe-in | -68.45, -5.21 | -81.25, 5.03 | APE12-dist-in | 11.8605 | APE11-dist-in | 13.3537 | APE10-dist-out | 16.9122 | APE9-dist-out | 12.416 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | H | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVI | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7137 | 14.0168 | BLAminus | -156.02, -172.35 | 52.06, 75.31 | -90.02, 16.62 | 285.55, 53.98 | -51.0, -47.91 | in-in | in | 8.21 | Saltbr-in | 2.8491 | HRD-out | -65.09, 167.81 | -142.72, -40.77 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9029 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.32, -71.61 | APE9-dihe-na | -48.37, -43.48 | APE8-dihe-out | -62.95, -22.66 | APE8-rot-in | 321.08 | APE67-dihe-in | -68.73, -5.3 | -80.88, 4.84 | APE12-dist-in | 11.843 | APE11-dist-in | 13.3499 | APE10-dist-out | 16.9126 | APE9-dist-out | 12.4344 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | I | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVJ | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.69 | 14.0122 | BLAminus | -155.85, -172.44 | 52.57, 75.34 | -90.52, 16.37 | 285.27, 53.91 | -50.64, -47.8 | in-in | in | 8.2015 | Saltbr-in | 2.8516 | HRD-out | -65.21, 168.05 | -142.86, -40.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.913 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.02, -71.29 | APE9-dihe-na | -48.68, -43.34 | APE8-dihe-out | -63.13, -22.6 | APE8-rot-in | 320.84 | APE67-dihe-in | -68.73, -5.07 | -80.86, 4.78 | APE12-dist-in | 11.8584 | APE11-dist-in | 13.3534 | APE10-dist-out | 16.9174 | APE9-dist-out | 12.4274 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | J | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVK | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6913 | 14.0074 | BLAminus | -156.26, -172.13 | 51.99, 75.85 | -90.75, 16.87 | 285.07, 54.48 | -51.1, -47.86 | in-in | in | 8.2125 | Saltbr-in | 2.8267 | HRD-out | -65.48, 167.26 | -142.09, -40.2 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9082 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -69.03, -71.43 | APE9-dihe-na | -48.67, -43.3 | APE8-dihe-out | -62.84, -22.69 | APE8-rot-in | 320.9 | APE67-dihe-in | -68.45, -5.64 | -81.1, 4.88 | APE12-dist-in | 11.857 | APE11-dist-in | 13.3527 | APE10-dist-out | 16.9108 | APE9-dist-out | 12.4345 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | K | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVL | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.7033 | 14.0123 | BLAminus | -155.79, -172.44 | 52.01, 75.2 | -90.74, 17.2 | 285.43, 54.09 | -51.45, -47.79 | in-in | in | 8.2115 | Saltbr-in | 2.8493 | HRD-out | -65.26, 167.87 | -142.94, -40.28 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9005 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.81, -71.59 | APE9-dihe-na | -48.24, -43.79 | APE8-dihe-out | -62.8, -22.54 | APE8-rot-in | 320.86 | APE67-dihe-in | -68.12, -5.45 | -81.06, 4.67 | APE12-dist-in | 11.8618 | APE11-dist-in | 13.3578 | APE10-dist-out | 16.9256 | APE9-dist-out | 12.4266 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | L | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVM | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6969 | 14.0124 | BLAminus | -156.04, -172.14 | 51.82, 75.37 | -89.83, 16.81 | 285.35, 54.26 | -51.35, -47.4 | in-in | in | 8.2099 | Saltbr-in | 2.8442 | HRD-out | -66.69, 167.72 | -142.42, -40.06 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9135 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.59, -71.54 | APE9-dihe-na | -48.4, -43.24 | APE8-dihe-out | -63.11, -22.55 | APE8-rot-in | 321.07 | APE67-dihe-in | -67.8, -5.48 | -81.21, 4.6 | APE12-dist-in | 11.866 | APE11-dist-in | 13.3548 | APE10-dist-out | 16.9192 | APE9-dist-out | 12.4256 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | M | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |
| OTHER | IRE1 | IRE1_YEAST | 3FBVN | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6942 | 14.0267 | BLAminus | -156.62, -171.86 | 51.92, 75.49 | -90.2, 17.25 | 284.59, 54.76 | -51.95, -47.33 | in-in | in | 8.2044 | Saltbr-in | 2.8129 | HRD-out | -65.53, 169.2 | -143.21, -40.58 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9135 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.63, -71.51 | APE9-dihe-na | -48.37, -43.89 | APE8-dihe-out | -62.53, -22.39 | APE8-rot-in | 321.21 | APE67-dihe-in | -66.15, -6.02 | -81.75, 3.84 | APE12-dist-in | 11.8589 | APE11-dist-in | 13.359 | APE10-dist-out | 16.9158 | APE9-dist-out | 12.438 | None | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.2 | 0.237 | 0.283 | N | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3fbv | Saccharomyces cerevisiae | OTHER_IRE1_YEAST | TKL | 3.3e-36 | 131.3 | 4.0 | 263.0 | 260.0 | 827 | 828 | 829 | 831 | 833 | 702 | 715 | 719 | 794 | 796 | 795 | 797.0 | 902 | 859 | 854 | 853 | 852 | 851 | 850 | 849 | 848 | 746 | Serine/threonine-protein kinase/endoribonuclease IRE1 |