| 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 | 3SDJA | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5757 | 14.6902 | BLAminus | -148.71, -168.46 | 54.17, 67.67 | -78.94, 6.4 | 276.48, 44.99 | -41.8, -54.71 | in-in | in | 8.6392 | Saltbr-in | 2.8107 | HRD-out | -63.68, 156.21 | -136.62, -35.13 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1368 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.15, -68.53 | APE9-dihe-na | -53.15, -43.1 | APE8-dihe-out | -56.81, -22.13 | APE8-rot-in | 313.68 | APE67-dihe-in | -64.06, -14.16 | -80.53, 2.66 | APE12-dist-in | 11.7771 | APE11-dist-in | 13.05 | APE10-dist-out | 16.8658 | APE9-dist-out | 12.3492 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | A | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJB | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.622 | 14.6988 | BLAminus | -145.97, -168.7 | 54.87, 65.94 | -77.36, 6.26 | 277.2, 45.55 | -41.04, -56.95 | in-in | in | 8.617 | Saltbr-in | 2.7559 | HRD-out | -64.81, 156.69 | -137.72, -34.35 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1508 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.31, -68.26 | APE9-dihe-na | -53.94, -42.41 | APE8-dihe-out | -57.37, -21.3 | APE8-rot-in | 314.03 | APE67-dihe-in | -64.97, -13.26 | -80.89, 2.66 | APE12-dist-in | 11.7577 | APE11-dist-in | 13.0389 | APE10-dist-out | 16.852 | APE9-dist-out | 12.3226 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | B | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJC | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.601 | 14.6674 | BLAminus | -148.09, -168.39 | 54.61, 67.07 | -78.67, 4.63 | 277.17, 45.68 | -39.89, -56.61 | in-in | in | 8.6582 | Saltbr-in | 2.7671 | HRD-out | -66.32, 158.42 | -137.55, -34.7 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1766 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.05, -68.32 | APE9-dihe-na | -53.45, -42.63 | APE8-dihe-out | -57.75, -21.11 | APE8-rot-in | 313.65 | APE67-dihe-in | -64.89, -12.55 | -80.49, 1.84 | APE12-dist-in | 11.7635 | APE11-dist-in | 13.0373 | APE10-dist-out | 16.8664 | APE9-dist-out | 12.346 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | C | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJD | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5665 | 14.6752 | BLAminus | -147.8, -169.08 | 55.27, 66.77 | -78.15, 5.02 | 276.86, 45.51 | -40.71, -55.79 | in-in | in | 8.6453 | Saltbr-in | 2.8012 | HRD-out | -65.92, 158.2 | -137.14, -33.69 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1382 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.38, -68.21 | APE9-dihe-na | -53.57, -42.55 | APE8-dihe-out | -57.56, -21.08 | APE8-rot-in | 313.32 | APE67-dihe-in | -63.33, -13.71 | -81.51, 2.27 | APE12-dist-in | 11.7732 | APE11-dist-in | 13.0494 | APE10-dist-out | 16.8641 | APE9-dist-out | 12.3795 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | D | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJE | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5851 | 14.6425 | BLAminus | -147.96, -168.81 | 54.2, 67.49 | -78.57, 5.35 | 277.08, 45.62 | -38.76, -57.11 | in-in | in | 8.6371 | Saltbr-in | 2.7694 | HRD-out | -65.11, 156.88 | -136.96, -33.74 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1119 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.58, -68.38 | APE9-dihe-na | -53.33, -42.75 | APE8-dihe-out | -57.13, -21.54 | APE8-rot-in | 313.33 | APE67-dihe-in | -64.35, -12.66 | -81.14, 2.48 | APE12-dist-in | 11.7723 | APE11-dist-in | 13.0519 | APE10-dist-out | 16.8637 | APE9-dist-out | 12.3487 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | E | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJF | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.634 | 14.6794 | BLAminus | -147.21, -170.07 | 56.23, 67.33 | -78.59, 5.02 | 276.52, 45.62 | -39.56, -57.56 | in-in | in | 8.6373 | Saltbr-in | 2.753 | HRD-out | -65.32, 157.31 | -138.05, -34.96 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1359 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.05, -68.71 | APE9-dihe-na | -53.15, -42.8 | APE8-dihe-out | -57.57, -21.28 | APE8-rot-in | 313.4 | APE67-dihe-in | -65.82, -12.51 | -81.14, 2.67 | APE12-dist-in | 11.7763 | APE11-dist-in | 13.0499 | APE10-dist-out | 16.8597 | APE9-dist-out | 12.3494 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | F | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJG | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5662 | 14.6849 | BLAminus | -147.91, -169.38 | 55.04, 66.11 | -77.54, 5.23 | 276.22, 46.02 | -40.07, -57.31 | in-in | in | 8.6434 | Saltbr-in | 2.748 | HRD-out | -64.93, 156.04 | -136.08, -33.91 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1311 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.24, -68.26 | APE9-dihe-na | -53.63, -42.38 | APE8-dihe-out | -57.53, -21.78 | APE8-rot-in | 313.73 | APE67-dihe-in | -65.84, -12.85 | -80.33, 3.17 | APE12-dist-in | 11.7575 | APE11-dist-in | 13.0364 | APE10-dist-out | 16.8504 | APE9-dist-out | 12.3503 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | G | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJH | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6207 | 14.6885 | BLAminus | -146.79, -168.82 | 55.25, 66.69 | -78.24, 4.98 | 276.06, 46.02 | -40.46, -56.35 | in-in | in | 8.621 | Saltbr-in | 2.7836 | HRD-out | -63.56, 155.88 | -136.32, -32.88 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1603 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -79.81, -68.21 | APE9-dihe-na | -53.12, -42.67 | APE8-dihe-out | -57.93, -21.27 | APE8-rot-in | 313.46 | APE67-dihe-in | -65.36, -13.19 | -81.28, 3.09 | APE12-dist-in | 11.7637 | APE11-dist-in | 13.0445 | APE10-dist-out | 16.8642 | APE9-dist-out | 12.336 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | H | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJI | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.597 | 14.6733 | BLAminus | -144.58, -169.7 | 55.03, 66.77 | -78.68, 7.63 | 277.09, 44.45 | -41.23, -57.07 | in-in | in | 8.6437 | Saltbr-in | 2.7438 | HRD-out | -64.95, 157.55 | -138.96, -35.0 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.157 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.26, -68.42 | APE9-dihe-na | -53.86, -41.72 | APE8-dihe-out | -58.23, -21.49 | APE8-rot-in | 313.77 | APE67-dihe-in | -65.66, -13.81 | -80.4, 2.87 | APE12-dist-in | 11.7444 | APE11-dist-in | 13.0454 | APE10-dist-out | 16.8575 | APE9-dist-out | 12.3497 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | I | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJJ | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5896 | 14.6335 | BLAminus | -147.79, -169.52 | 54.31, 67.44 | -79.0, 5.2 | 277.14, 44.53 | -38.95, -56.95 | in-in | in | 8.6499 | Saltbr-in | 2.8497 | HRD-out | -64.62, 158.43 | -139.24, -34.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1278 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -79.96, -68.28 | APE9-dihe-na | -53.84, -42.07 | APE8-dihe-out | -57.85, -21.67 | APE8-rot-in | 313.62 | APE67-dihe-in | -64.62, -13.74 | -80.34, 2.74 | APE12-dist-in | 11.775 | APE11-dist-in | 13.0481 | APE10-dist-out | 16.8747 | APE9-dist-out | 12.3588 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | J | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJK | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5744 | 14.6658 | BLAminus | -147.34, -168.85 | 53.94, 68.17 | -79.5, 5.5 | 275.62, 45.59 | -40.3, -55.51 | in-in | in | 8.6384 | Saltbr-in | 2.7591 | HRD-out | -62.49, 157.82 | -138.19, -35.16 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1898 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.53, -68.04 | APE9-dihe-na | -53.7, -42.51 | APE8-dihe-out | -57.97, -20.89 | APE8-rot-in | 313.46 | APE67-dihe-in | -65.09, -12.68 | -80.87, 2.48 | APE12-dist-in | 11.7588 | APE11-dist-in | 13.0448 | APE10-dist-out | 16.8542 | APE9-dist-out | 12.3692 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | K | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJL | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6027 | 14.6919 | BLAminus | -146.91, -170.98 | 55.17, 67.62 | -78.94, 5.58 | 276.27, 47.05 | -40.69, -57.56 | in-in | in | 8.6134 | Saltbr-in | 2.7739 | HRD-out | -64.87, 156.97 | -138.1, -35.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1114 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.31, -68.63 | APE9-dihe-na | -52.88, -42.97 | APE8-dihe-out | -57.52, -21.23 | APE8-rot-in | 313.42 | APE67-dihe-in | -65.26, -12.89 | -80.93, 2.33 | APE12-dist-in | 11.7649 | APE11-dist-in | 13.039 | APE10-dist-out | 16.8573 | APE9-dist-out | 12.3726 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | L | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJM | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6462 | 14.6679 | BLAminus | -146.9, -168.44 | 53.9, 67.89 | -79.35, 4.39 | 276.45, 46.55 | -39.29, -56.45 | in-in | in | 8.6352 | Saltbr-in | 2.7472 | HRD-out | -66.22, 157.3 | -138.26, -33.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1299 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -79.74, -68.15 | APE9-dihe-na | -53.74, -42.77 | APE8-dihe-out | -57.66, -21.0 | APE8-rot-in | 313.3 | APE67-dihe-in | -64.76, -12.86 | -81.09, 2.72 | APE12-dist-in | 11.7672 | APE11-dist-in | 13.036 | APE10-dist-out | 16.8637 | APE9-dist-out | 12.3342 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | M | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJN | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.605 | 14.7015 | BLAminus | -148.53, -170.95 | 56.63, 67.6 | -79.17, 5.37 | 275.48, 45.81 | -40.74, -55.45 | in-in | in | 8.6301 | Saltbr-in | 2.84 | HRD-out | -66.17, 156.27 | -136.96, -35.68 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1397 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.8, -68.16 | APE9-dihe-na | -53.36, -42.69 | APE8-dihe-out | -57.82, -20.86 | APE8-rot-in | 313.36 | APE67-dihe-in | -64.72, -13.44 | -81.59, 3.36 | APE12-dist-in | 11.7718 | APE11-dist-in | 13.0415 | APE10-dist-out | 16.8501 | APE9-dist-out | 12.3537 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | N | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJA | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5757 | 14.6902 | BLAminus | -148.71, -168.46 | 54.17, 67.67 | -78.94, 6.4 | 276.48, 44.99 | -41.8, -54.71 | in-in | in | 8.6392 | Saltbr-in | 2.8107 | HRD-out | -63.68, 156.21 | -136.62, -35.13 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1368 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.15, -68.53 | APE9-dihe-na | -53.15, -43.1 | APE8-dihe-out | -56.81, -22.13 | APE8-rot-in | 313.68 | APE67-dihe-in | -64.06, -14.16 | -80.53, 2.66 | APE12-dist-in | 11.7771 | APE11-dist-in | 13.05 | APE10-dist-out | 16.8658 | APE9-dist-out | 12.3492 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | A | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJB | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.622 | 14.6988 | BLAminus | -145.97, -168.7 | 54.87, 65.94 | -77.36, 6.26 | 277.2, 45.55 | -41.04, -56.95 | in-in | in | 8.617 | Saltbr-in | 2.7559 | HRD-out | -64.81, 156.69 | -137.72, -34.35 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1508 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.31, -68.26 | APE9-dihe-na | -53.94, -42.41 | APE8-dihe-out | -57.37, -21.3 | APE8-rot-in | 314.03 | APE67-dihe-in | -64.97, -13.26 | -80.89, 2.66 | APE12-dist-in | 11.7577 | APE11-dist-in | 13.0389 | APE10-dist-out | 16.852 | APE9-dist-out | 12.3226 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | B | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJC | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.601 | 14.6674 | BLAminus | -148.09, -168.39 | 54.61, 67.07 | -78.67, 4.63 | 277.17, 45.68 | -39.89, -56.61 | in-in | in | 8.6582 | Saltbr-in | 2.7671 | HRD-out | -66.32, 158.42 | -137.55, -34.7 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1766 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.05, -68.32 | APE9-dihe-na | -53.45, -42.63 | APE8-dihe-out | -57.75, -21.11 | APE8-rot-in | 313.65 | APE67-dihe-in | -64.89, -12.55 | -80.49, 1.84 | APE12-dist-in | 11.7635 | APE11-dist-in | 13.0373 | APE10-dist-out | 16.8664 | APE9-dist-out | 12.346 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | C | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJD | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5665 | 14.6752 | BLAminus | -147.8, -169.08 | 55.27, 66.77 | -78.15, 5.02 | 276.86, 45.51 | -40.71, -55.79 | in-in | in | 8.6453 | Saltbr-in | 2.8012 | HRD-out | -65.92, 158.2 | -137.14, -33.69 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1382 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.38, -68.21 | APE9-dihe-na | -53.57, -42.55 | APE8-dihe-out | -57.56, -21.08 | APE8-rot-in | 313.32 | APE67-dihe-in | -63.33, -13.71 | -81.51, 2.27 | APE12-dist-in | 11.7732 | APE11-dist-in | 13.0494 | APE10-dist-out | 16.8641 | APE9-dist-out | 12.3795 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | D | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJE | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5851 | 14.6425 | BLAminus | -147.96, -168.81 | 54.2, 67.49 | -78.57, 5.35 | 277.08, 45.62 | -38.76, -57.11 | in-in | in | 8.6371 | Saltbr-in | 2.7694 | HRD-out | -65.11, 156.88 | -136.96, -33.74 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1119 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.58, -68.38 | APE9-dihe-na | -53.33, -42.75 | APE8-dihe-out | -57.13, -21.54 | APE8-rot-in | 313.33 | APE67-dihe-in | -64.35, -12.66 | -81.14, 2.48 | APE12-dist-in | 11.7723 | APE11-dist-in | 13.0519 | APE10-dist-out | 16.8637 | APE9-dist-out | 12.3487 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | E | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJF | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.634 | 14.6794 | BLAminus | -147.21, -170.07 | 56.23, 67.33 | -78.59, 5.02 | 276.52, 45.62 | -39.56, -57.56 | in-in | in | 8.6373 | Saltbr-in | 2.753 | HRD-out | -65.32, 157.31 | -138.05, -34.96 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1359 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.05, -68.71 | APE9-dihe-na | -53.15, -42.8 | APE8-dihe-out | -57.57, -21.28 | APE8-rot-in | 313.4 | APE67-dihe-in | -65.82, -12.51 | -81.14, 2.67 | APE12-dist-in | 11.7763 | APE11-dist-in | 13.0499 | APE10-dist-out | 16.8597 | APE9-dist-out | 12.3494 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | F | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJG | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5662 | 14.6849 | BLAminus | -147.91, -169.38 | 55.04, 66.11 | -77.54, 5.23 | 276.22, 46.02 | -40.07, -57.31 | in-in | in | 8.6434 | Saltbr-in | 2.748 | HRD-out | -64.93, 156.04 | -136.08, -33.91 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1311 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.24, -68.26 | APE9-dihe-na | -53.63, -42.38 | APE8-dihe-out | -57.53, -21.78 | APE8-rot-in | 313.73 | APE67-dihe-in | -65.84, -12.85 | -80.33, 3.17 | APE12-dist-in | 11.7575 | APE11-dist-in | 13.0364 | APE10-dist-out | 16.8504 | APE9-dist-out | 12.3503 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | G | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJH | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6207 | 14.6885 | BLAminus | -146.79, -168.82 | 55.25, 66.69 | -78.24, 4.98 | 276.06, 46.02 | -40.46, -56.35 | in-in | in | 8.621 | Saltbr-in | 2.7836 | HRD-out | -63.56, 155.88 | -136.32, -32.88 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1603 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -79.81, -68.21 | APE9-dihe-na | -53.12, -42.67 | APE8-dihe-out | -57.93, -21.27 | APE8-rot-in | 313.46 | APE67-dihe-in | -65.36, -13.19 | -81.28, 3.09 | APE12-dist-in | 11.7637 | APE11-dist-in | 13.0445 | APE10-dist-out | 16.8642 | APE9-dist-out | 12.336 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | H | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJI | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.597 | 14.6733 | BLAminus | -144.58, -169.7 | 55.03, 66.77 | -78.68, 7.63 | 277.09, 44.45 | -41.23, -57.07 | in-in | in | 8.6437 | Saltbr-in | 2.7438 | HRD-out | -64.95, 157.55 | -138.96, -35.0 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.157 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.26, -68.42 | APE9-dihe-na | -53.86, -41.72 | APE8-dihe-out | -58.23, -21.49 | APE8-rot-in | 313.77 | APE67-dihe-in | -65.66, -13.81 | -80.4, 2.87 | APE12-dist-in | 11.7444 | APE11-dist-in | 13.0454 | APE10-dist-out | 16.8575 | APE9-dist-out | 12.3497 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | I | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJJ | P32361 | 672 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5896 | 14.6335 | BLAminus | -147.79, -169.52 | 54.31, 67.44 | -79.0, 5.2 | 277.14, 44.53 | -38.95, -56.95 | in-in | in | 8.6499 | Saltbr-in | 2.8497 | HRD-out | -64.62, 158.43 | -139.24, -34.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1278 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -79.96, -68.28 | APE9-dihe-na | -53.84, -42.07 | APE8-dihe-out | -57.85, -21.67 | APE8-rot-in | 313.62 | APE67-dihe-in | -64.62, -13.74 | -80.34, 2.74 | APE12-dist-in | 11.775 | APE11-dist-in | 13.0481 | APE10-dist-out | 16.8747 | APE9-dist-out | 12.3588 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | J | 448.0 | 416.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJK | P32361 | 663 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.5744 | 14.6658 | BLAminus | -147.34, -168.85 | 53.94, 68.17 | -79.5, 5.5 | 275.62, 45.59 | -40.3, -55.51 | in-in | in | 8.6384 | Saltbr-in | 2.7591 | HRD-out | -62.49, 157.82 | -138.19, -35.16 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1898 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.53, -68.04 | APE9-dihe-na | -53.7, -42.51 | APE8-dihe-out | -57.97, -20.89 | APE8-rot-in | 313.46 | APE67-dihe-in | -65.09, -12.68 | -80.87, 2.48 | APE12-dist-in | 11.7588 | APE11-dist-in | 13.0448 | APE10-dist-out | 16.8542 | APE9-dist-out | 12.3692 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | K | 448.0 | 425.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJL | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6027 | 14.6919 | BLAminus | -146.91, -170.98 | 55.17, 67.62 | -78.94, 5.58 | 276.27, 47.05 | -40.69, -57.56 | in-in | in | 8.6134 | Saltbr-in | 2.7739 | HRD-out | -64.87, 156.97 | -138.1, -35.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1114 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.31, -68.63 | APE9-dihe-na | -52.88, -42.97 | APE8-dihe-out | -57.52, -21.23 | APE8-rot-in | 313.42 | APE67-dihe-in | -65.26, -12.89 | -80.93, 2.33 | APE12-dist-in | 11.7649 | APE11-dist-in | 13.039 | APE10-dist-out | 16.8573 | APE9-dist-out | 12.3726 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | L | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJM | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.6462 | 14.6679 | BLAminus | -146.9, -168.44 | 53.9, 67.89 | -79.35, 4.39 | 276.45, 46.55 | -39.29, -56.45 | in-in | in | 8.6352 | Saltbr-in | 2.7472 | HRD-out | -66.22, 157.3 | -138.26, -33.17 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1299 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -79.74, -68.15 | APE9-dihe-na | -53.74, -42.77 | APE8-dihe-out | -57.66, -21.0 | APE8-rot-in | 313.3 | APE67-dihe-in | -64.76, -12.86 | -81.09, 2.72 | APE12-dist-in | 11.7672 | APE11-dist-in | 13.036 | APE10-dist-out | 16.8637 | APE9-dist-out | 12.3342 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | M | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 | 3SDJN | P32361 | 670 | 1115 | 1115.0 | APJ:1999 | Type1 | Inactive | DFGin | 5.605 | 14.7015 | BLAminus | -148.53, -170.95 | 56.63, 67.6 | -79.17, 5.37 | 275.48, 45.81 | -40.74, -55.45 | in-in | in | 8.6301 | Saltbr-in | 2.84 | HRD-out | -66.17, 156.27 | -136.96, -35.68 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1397 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -80.8, -68.16 | APE9-dihe-na | -53.36, -42.69 | APE8-dihe-out | -57.82, -20.86 | APE8-rot-in | 313.36 | APE67-dihe-in | -64.72, -13.44 | -81.59, 3.36 | APE12-dist-in | 11.7718 | APE11-dist-in | 13.0415 | APE10-dist-out | 16.8501 | APE9-dist-out | 12.3537 | H1061N | SEP840,SEP841,TPO844 | SEP840,SEP841,TPO844 | XRAY | 3.65 | 0.251 | 0.287 | N | 448.0 | 418.0 | 0 | 32 | 32 | 0 | [[672, 977]] | 1.0 | 3sdj | 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 |