| 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 | CHUK | IKKA_HUMAN | 5EBZA | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.4722 | 12.9945 | BLAminus | -157.9, 159.21 | 63.36, 117.08 | -127.05, 13.58 | 301.36, 131.68 | -58.14, 0.46 | in-out | in | 8.3845 | Saltbr-out | 3.9347 | HRD-out | -106.09, 98.92 | -80.08, -31.47 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7244 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iiio | APE10-dihe-na | -133.13, -142.71 | APE9-dihe-na | -132.24, 138.03 | APE8-dihe-out | 32.05, 63.16 | APE8-rot-out | 173.72 | APE67-dihe-out | -166.38, -24.98 | -61.08, 149.09 | APE12-dist-in | 9.6036 | APE11-dist-in | 10.3908 | APE10-dist-in | 7.4499 | APE9-dist-out | 11.5556 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | A | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZB | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.5564 | 13.0628 | BLAminus | -157.87, 159.26 | 63.18, 117.0 | -127.43, 13.74 | 302.04, 131.95 | -63.43, -5.84 | in-out | in | 8.3768 | Saltbr-out | 3.9315 | HRD-out | -105.04, 98.56 | -80.0, -30.69 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7115 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiio | APE10-dihe-na | -120.36, -131.93 | APE9-dihe-na | -142.0, 138.99 | APE8-dihe-out | 48.95, 36.51 | APE8-rot-in | 319.88 | APE67-dihe-out | -168.68, -36.55 | -40.64, 144.07 | APE12-dist-in | 9.2757 | APE11-dist-in | 10.0726 | APE10-dist-in | 7.1284 | APE9-dist-out | 11.4658 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | B | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZC | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.3494 | 12.9372 | BLAminus | -158.04, 158.83 | 63.52, 116.84 | -127.52, 13.57 | 301.17, 131.76 | -63.04, -7.12 | in-out | in | 8.3777 | Saltbr-out | 3.924 | HRD-out | -105.78, 98.7 | -80.36, -30.84 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.0831 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iiio | APE10-dihe-na | -114.04, -134.54 | APE9-dihe-na | -154.94, 140.93 | APE8-dihe-out | 52.3, 55.69 | APE8-rot-in | 310.3 | APE67-dihe-inflip | 179.0, -28.48 | -76.67, 159.59 | APE12-dist-in | 8.4619 | APE11-dist-in | 9.6176 | APE10-dist-in | 6.8817 | APE9-dist-out | 11.7347 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | C | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZD | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.4455 | 12.9964 | BLAminus | -157.99, 158.75 | 63.84, 116.89 | -127.2, 14.28 | 302.16, 131.35 | -61.31, -3.61 | in-out | in | 8.3805 | Saltbr-out | 3.9416 | HRD-out | -104.7, 98.61 | -80.36, -30.78 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.3228 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iiio | APE10-dihe-na | -114.92, -87.2 | APE9-dihe-na | 172.15, 150.56 | APE8-dihe-out | 44.69, 73.14 | APE8-rot-out | 59.12 | APE67-dihe-out | -173.33, -15.3 | -88.22, 143.81 | APE12-dist-in | 9.7603 | APE11-dist-in | 10.3988 | APE10-dist-in | 6.8583 | APE9-dist-out | 11.5778 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | D | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZE | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.4132 | 12.9632 | BLAminus | -157.88, 159.1 | 63.37, 117.32 | -127.83, 12.95 | 301.29, 131.92 | -62.78, -6.6 | in-out | in | 8.3784 | Saltbr-out | 3.9399 | HRD-out | -105.55, 98.72 | -80.22, -30.93 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.6154 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iiio | APE10-dihe-na | -101.36, -137.17 | APE9-dihe-na | -137.48, 131.52 | APE8-dihe-out | 54.15, 65.61 | APE8-rot-in | 305.76 | APE67-dihe-inflip | 177.55, -22.94 | -67.74, 156.35 | APE12-dist-in | 9.2903 | APE11-dist-in | 10.4099 | APE10-dist-in | 7.0278 | APE9-dist-out | 11.5375 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | E | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZF | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.5543 | 12.9561 | BLAminus | -158.13, 160.12 | 61.88, 117.06 | -126.71, 13.37 | 301.67, 131.82 | -61.28, -5.01 | in-out | in | 8.3683 | Saltbr-out | 3.9212 | HRD-out | -104.83, 98.57 | -80.32, -31.25 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.6483 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiio | APE10-dihe-na | -133.95, -55.57 | APE9-dihe-na | 135.71, 126.78 | APE8-dihe-out | 52.92, 17.09 | APE8-rot-in | 348.87 | APE67-dihe-out | -130.03, -5.11 | -48.71, 131.65 | APE12-dist-in | 9.4617 | APE11-dist-in | 9.8511 | APE10-dist-in | 7.027 | APE9-dist-out | 11.8922 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | F | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZG | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.5629 | 13.0378 | BLAminus | -157.79, 159.24 | 63.47, 116.86 | -127.13, 13.59 | 300.88, 131.93 | -60.03, -2.91 | in-out | in | 8.3744 | Saltbr-out | 3.9374 | HRD-out | -105.82, 98.69 | -80.11, -31.24 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8196 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiio | APE10-dihe-na | -105.14, -87.49 | APE9-dihe-na | -173.89, 131.61 | APE8-dihe-out | 42.38, 74.45 | APE8-rot-in | 310.05 | APE67-dihe-out | -155.35, -14.77 | -78.11, 142.24 | APE12-dist-in | 8.1334 | APE11-dist-in | 10.1335 | APE10-dist-in | 7.3652 | APE9-dist-out | 11.7704 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | G | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZH | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.6233 | 12.9278 | BLAminus | -157.82, 159.2 | 63.3, 117.1 | -127.62, 13.57 | 302.64, 131.85 | -66.21, -13.0 | in-out | in | 8.378 | Saltbr-out | 3.9212 | HRD-out | -105.33, 98.48 | -79.98, -30.79 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8082 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiio | APE10-dihe-na | -120.33, -132.08 | APE9-dihe-na | -135.18, 141.74 | APE8-dihe-out | 53.01, 41.79 | APE8-rot-in | 318.66 | APE67-dihe-out | -179.07, -65.81 | -56.31, 151.34 | APE12-dist-in | 9.0276 | APE11-dist-in | 10.2293 | APE10-dist-in | 6.7096 | APE9-dist-out | 11.9042 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | H | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZI | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.447 | 12.9047 | BLAminus | -158.21, 159.53 | 62.55, 117.44 | -127.53, 13.64 | 301.73, 131.69 | -61.68, -3.37 | in-out | in | 8.3782 | Saltbr-out | 3.9276 | HRD-out | -105.58, 98.9 | -80.55, -30.56 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.6136 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_iiio | APE10-dihe-na | -123.2, -168.23 | APE9-dihe-na | -65.65, -161.64 | APE8-dihe-in | -47.13, 90.76 | APE8-rot-in | 294.26 | APE67-dihe-out | -155.06, -11.93 | -74.74, 142.39 | APE12-dist-in | 7.7329 | APE11-dist-in | 9.2401 | APE10-dist-in | 7.2593 | APE9-dist-out | 12.1131 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | I | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZJ | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.4569 | 13.0353 | BLAminus | -158.14, 158.87 | 63.49, 116.94 | -127.22, 13.75 | 301.97, 131.59 | -63.14, -6.87 | in-out | in | 8.3782 | Saltbr-out | 3.9498 | HRD-out | -104.47, 97.82 | -79.51, -30.99 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9647 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiio | APE10-dihe-na | -134.95, -77.48 | APE9-dihe-na | 163.8, 138.53 | APE8-dihe-out | 51.98, 77.04 | APE8-rot-in | 309.05 | APE67-dihe-out | -176.04, -11.28 | -80.48, 141.14 | APE12-dist-in | 8.8435 | APE11-dist-in | 9.9652 | APE10-dist-in | 6.8131 | APE9-dist-out | 11.6719 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | J | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZK | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.446 | 12.9698 | BLAminus | -158.43, 159.6 | 63.23, 117.12 | -127.98, 13.19 | 301.21, 131.48 | -63.15, -8.18 | in-out | in | 8.3793 | Saltbr-out | 3.9063 | HRD-out | -105.38, 98.71 | -80.39, -31.17 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.5842 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iiio | APE10-dihe-na | -113.74, -140.48 | APE9-dihe-na | -132.51, 126.65 | APE8-dihe-out | 53.41, 74.49 | APE8-rot-in | 305.2 | APE67-dihe-inflip | 170.32, -23.62 | -76.67, 162.92 | APE12-dist-in | 8.511 | APE11-dist-in | 10.0946 | APE10-dist-in | 7.4008 | APE9-dist-out | 11.8674 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | K | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZL | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.5215 | 12.9894 | BLAminus | -158.24, 159.63 | 62.65, 117.16 | -127.45, 13.49 | 301.65, 131.79 | -64.73, -7.71 | in-out | in | 8.3723 | Saltbr-out | 3.9308 | HRD-out | -104.64, 98.46 | -80.27, -31.08 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.6174 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiio | APE10-dihe-na | -118.73, -95.08 | APE9-dihe-na | -177.7, 127.99 | APE8-dihe-out | 49.93, 69.03 | APE8-rot-in | 331.03 | APE67-dihe-out | -153.57, -29.29 | -80.56, 145.25 | APE12-dist-in | 9.3352 | APE11-dist-in | 10.03 | APE10-dist-in | 6.7701 | APE9-dist-out | 11.8616 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | L | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| 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 | CHUK | IKKA_HUMAN | 5EBZA | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.4722 | 12.9945 | BLAminus | -157.9, 159.21 | 63.36, 117.08 | -127.05, 13.58 | 301.36, 131.68 | -58.14, 0.46 | in-out | in | 8.3845 | Saltbr-out | 3.9347 | HRD-out | -106.09, 98.92 | -80.08, -31.47 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7244 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iiio | APE10-dihe-na | -133.13, -142.71 | APE9-dihe-na | -132.24, 138.03 | APE8-dihe-out | 32.05, 63.16 | APE8-rot-out | 173.72 | APE67-dihe-out | -166.38, -24.98 | -61.08, 149.09 | APE12-dist-in | 9.6036 | APE11-dist-in | 10.3908 | APE10-dist-in | 7.4499 | APE9-dist-out | 11.5556 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | A | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZB | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.5564 | 13.0628 | BLAminus | -157.87, 159.26 | 63.18, 117.0 | -127.43, 13.74 | 302.04, 131.95 | -63.43, -5.84 | in-out | in | 8.3768 | Saltbr-out | 3.9315 | HRD-out | -105.04, 98.56 | -80.0, -30.69 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7115 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiio | APE10-dihe-na | -120.36, -131.93 | APE9-dihe-na | -142.0, 138.99 | APE8-dihe-out | 48.95, 36.51 | APE8-rot-in | 319.88 | APE67-dihe-out | -168.68, -36.55 | -40.64, 144.07 | APE12-dist-in | 9.2757 | APE11-dist-in | 10.0726 | APE10-dist-in | 7.1284 | APE9-dist-out | 11.4658 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | B | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZC | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.3494 | 12.9372 | BLAminus | -158.04, 158.83 | 63.52, 116.84 | -127.52, 13.57 | 301.17, 131.76 | -63.04, -7.12 | in-out | in | 8.3777 | Saltbr-out | 3.924 | HRD-out | -105.78, 98.7 | -80.36, -30.84 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.0831 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iiio | APE10-dihe-na | -114.04, -134.54 | APE9-dihe-na | -154.94, 140.93 | APE8-dihe-out | 52.3, 55.69 | APE8-rot-in | 310.3 | APE67-dihe-inflip | 179.0, -28.48 | -76.67, 159.59 | APE12-dist-in | 8.4619 | APE11-dist-in | 9.6176 | APE10-dist-in | 6.8817 | APE9-dist-out | 11.7347 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | C | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZD | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.4455 | 12.9964 | BLAminus | -157.99, 158.75 | 63.84, 116.89 | -127.2, 14.28 | 302.16, 131.35 | -61.31, -3.61 | in-out | in | 8.3805 | Saltbr-out | 3.9416 | HRD-out | -104.7, 98.61 | -80.36, -30.78 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.3228 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iiio | APE10-dihe-na | -114.92, -87.2 | APE9-dihe-na | 172.15, 150.56 | APE8-dihe-out | 44.69, 73.14 | APE8-rot-out | 59.12 | APE67-dihe-out | -173.33, -15.3 | -88.22, 143.81 | APE12-dist-in | 9.7603 | APE11-dist-in | 10.3988 | APE10-dist-in | 6.8583 | APE9-dist-out | 11.5778 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | D | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZE | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.4132 | 12.9632 | BLAminus | -157.88, 159.1 | 63.37, 117.32 | -127.83, 12.95 | 301.29, 131.92 | -62.78, -6.6 | in-out | in | 8.3784 | Saltbr-out | 3.9399 | HRD-out | -105.55, 98.72 | -80.22, -30.93 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.6154 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iiio | APE10-dihe-na | -101.36, -137.17 | APE9-dihe-na | -137.48, 131.52 | APE8-dihe-out | 54.15, 65.61 | APE8-rot-in | 305.76 | APE67-dihe-inflip | 177.55, -22.94 | -67.74, 156.35 | APE12-dist-in | 9.2903 | APE11-dist-in | 10.4099 | APE10-dist-in | 7.0278 | APE9-dist-out | 11.5375 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | E | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZF | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.5543 | 12.9561 | BLAminus | -158.13, 160.12 | 61.88, 117.06 | -126.71, 13.37 | 301.67, 131.82 | -61.28, -5.01 | in-out | in | 8.3683 | Saltbr-out | 3.9212 | HRD-out | -104.83, 98.57 | -80.32, -31.25 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.6483 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiio | APE10-dihe-na | -133.95, -55.57 | APE9-dihe-na | 135.71, 126.78 | APE8-dihe-out | 52.92, 17.09 | APE8-rot-in | 348.87 | APE67-dihe-out | -130.03, -5.11 | -48.71, 131.65 | APE12-dist-in | 9.4617 | APE11-dist-in | 9.8511 | APE10-dist-in | 7.027 | APE9-dist-out | 11.8922 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | F | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZG | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.5629 | 13.0378 | BLAminus | -157.79, 159.24 | 63.47, 116.86 | -127.13, 13.59 | 300.88, 131.93 | -60.03, -2.91 | in-out | in | 8.3744 | Saltbr-out | 3.9374 | HRD-out | -105.82, 98.69 | -80.11, -31.24 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8196 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiio | APE10-dihe-na | -105.14, -87.49 | APE9-dihe-na | -173.89, 131.61 | APE8-dihe-out | 42.38, 74.45 | APE8-rot-in | 310.05 | APE67-dihe-out | -155.35, -14.77 | -78.11, 142.24 | APE12-dist-in | 8.1334 | APE11-dist-in | 10.1335 | APE10-dist-in | 7.3652 | APE9-dist-out | 11.7704 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | G | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZH | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.6233 | 12.9278 | BLAminus | -157.82, 159.2 | 63.3, 117.1 | -127.62, 13.57 | 302.64, 131.85 | -66.21, -13.0 | in-out | in | 8.378 | Saltbr-out | 3.9212 | HRD-out | -105.33, 98.48 | -79.98, -30.79 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8082 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiio | APE10-dihe-na | -120.33, -132.08 | APE9-dihe-na | -135.18, 141.74 | APE8-dihe-out | 53.01, 41.79 | APE8-rot-in | 318.66 | APE67-dihe-out | -179.07, -65.81 | -56.31, 151.34 | APE12-dist-in | 9.0276 | APE11-dist-in | 10.2293 | APE10-dist-in | 6.7096 | APE9-dist-out | 11.9042 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | H | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZI | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.447 | 12.9047 | BLAminus | -158.21, 159.53 | 62.55, 117.44 | -127.53, 13.64 | 301.73, 131.69 | -61.68, -3.37 | in-out | in | 8.3782 | Saltbr-out | 3.9276 | HRD-out | -105.58, 98.9 | -80.55, -30.56 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.6136 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_iiio | APE10-dihe-na | -123.2, -168.23 | APE9-dihe-na | -65.65, -161.64 | APE8-dihe-in | -47.13, 90.76 | APE8-rot-in | 294.26 | APE67-dihe-out | -155.06, -11.93 | -74.74, 142.39 | APE12-dist-in | 7.7329 | APE11-dist-in | 9.2401 | APE10-dist-in | 7.2593 | APE9-dist-out | 12.1131 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | I | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZJ | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.4569 | 13.0353 | BLAminus | -158.14, 158.87 | 63.49, 116.94 | -127.22, 13.75 | 301.97, 131.59 | -63.14, -6.87 | in-out | in | 8.3782 | Saltbr-out | 3.9498 | HRD-out | -104.47, 97.82 | -79.51, -30.99 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9647 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiio | APE10-dihe-na | -134.95, -77.48 | APE9-dihe-na | 163.8, 138.53 | APE8-dihe-out | 51.98, 77.04 | APE8-rot-in | 309.05 | APE67-dihe-out | -176.04, -11.28 | -80.48, 141.14 | APE12-dist-in | 8.8435 | APE11-dist-in | 9.9652 | APE10-dist-in | 6.8131 | APE9-dist-out | 11.6719 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | J | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZK | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.446 | 12.9698 | BLAminus | -158.43, 159.6 | 63.23, 117.12 | -127.98, 13.19 | 301.21, 131.48 | -63.15, -8.18 | in-out | in | 8.3793 | Saltbr-out | 3.9063 | HRD-out | -105.38, 98.71 | -80.39, -31.17 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.5842 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iiio | APE10-dihe-na | -113.74, -140.48 | APE9-dihe-na | -132.51, 126.65 | APE8-dihe-out | 53.41, 74.49 | APE8-rot-in | 305.2 | APE67-dihe-inflip | 170.32, -23.62 | -76.67, 162.92 | APE12-dist-in | 8.511 | APE11-dist-in | 10.0946 | APE10-dist-in | 7.4008 | APE9-dist-out | 11.8674 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | K | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| OTHER | CHUK | IKKA_HUMAN | 5EBZL | O15111 | 10 | 660 | 745.0 | 5TL:60701 | Type1 | Inactive | DFGin | 6.5215 | 12.9894 | BLAminus | -158.24, 159.63 | 62.65, 117.16 | -127.45, 13.49 | 301.65, 131.79 | -64.73, -7.71 | in-out | in | 8.3723 | Saltbr-out | 3.9308 | HRD-out | -104.64, 98.46 | -80.27, -31.08 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.6174 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiio | APE10-dihe-na | -118.73, -95.08 | APE9-dihe-na | -177.7, 127.99 | APE8-dihe-out | 49.93, 69.03 | APE8-rot-in | 331.03 | APE67-dihe-out | -153.57, -29.29 | -80.56, 145.25 | APE12-dist-in | 9.3352 | APE11-dist-in | 10.03 | APE10-dist-in | 6.7701 | APE9-dist-out | 11.8616 | S176E,S180E | None | None | XRAY | 4.5 | 0.238 | 0.276 | L | 655.0 | 651.0 | 0 | 27 | 27 | 0 | [[15, 294]] | 1.0 | 5ebz | Homo sapiens | OTHER_CHUK_HUMAN | OTHER | 1.4e-51 | 182.3 | 1.0 | 250.0 | 250.0 | 164 | 165 | 166 | 168 | 170 | 44 | 61 | 65 | 141 | 143 | 142 | 144.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 96 | Inhibitor of nuclear factor kappa-B kinase subunit alpha |
| 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 |
|---|