| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | RIPK1 | RIPK1_HUMAN | 8I2NA | Q13546 | 7 | 294 | 671.0 | O4U:301 | Type1 | Inactive | DFGout | 14.5869 | 9.8778 | BBAminus | -132.39, 179.54 | -138.91, 72.44 | -59.66, -22.13 | 308.47, 178.68 | -72.09, -21.19 | out-out | out | 14.3799 | Saltbr-out | 12.6212 | HRD-out | -74.72, 150.84 | -121.92, -0.64 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3047 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, 165.9 | APE9-dihe-na | 80.3, -2.56 | APE8-dihe-out | -86.5, -17.61 | APE8-rot-out | 67.69 | APE67-dihe-in | -64.62, -33.64 | -56.41, -33.79 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 13.8346 | APE9-dist-out | 10.9728 | C34A,C127A,C233A,C240A | None | None | XRAY | 2.29 | 0.217 | 0.245 | A | 294.0 | 274.0 | 14 | 41 | 31 | 10 | [[17, 287]] | 1.0 | 8i2n | TKL_RIPK1_HUMAN | TKL | 1.2e-72 | 250.6 | 6.0 | 265.0 | 260.0 | 155 | 156 | 157 | 159 | 161 | 45 | 63 | 67 | 135 | 137 | 136 | 138.0 | 210 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 93 | Receptor-interacting serine/threonine-protein kinase 1 |
| TKL | RIPK1 | RIPK1_HUMAN | 8I2NB | Q13546 | 7 | 294 | 671.0 | O4U:301 | Type2 | Inactive | DFGout | 14.697 | 10.0399 | BBAminus | -125.25, 179.41 | -140.6, 77.45 | -64.03, -29.8 | 306.36, 179.39 | -76.08, -10.88 | out-out | out | 14.3451 | Saltbr-out | 12.2725 | HRD-out | -90.28, 98.28 | -71.05, -2.88 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.7675 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, 36.59 | APE9-dihe-na | -60.07, -33.91 | APE8-dihe-out | -70.17, -30.34 | APE8-rot-out | 44.28 | APE67-dihe-in | -58.09, -33.7 | -66.92, -25.73 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 19.4298 | APE9-dist-out | 13.0835 | C34A,C127A,C233A,C240A | None | None | XRAY | 2.29 | 0.217 | 0.245 | B | 294.0 | 263.0 | 25 | 41 | 25 | 16 | [[17, 287]] | 1.0 | 8i2n | TKL_RIPK1_HUMAN | TKL | 1.2e-72 | 250.6 | 6.0 | 265.0 | 260.0 | 155 | 156 | 157 | 159 | 161 | 45 | 63 | 67 | 135 | 137 | 136 | 138.0 | 210 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 93 | Receptor-interacting serine/threonine-protein kinase 1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | RIPK1 | RIPK1_HUMAN | 8I2NA | Q13546 | 7 | 294 | 671.0 | O4U:301 | Type1 | Inactive | DFGout | 14.5869 | 9.8778 | BBAminus | -132.39, 179.54 | -138.91, 72.44 | -59.66, -22.13 | 308.47, 178.68 | -72.09, -21.19 | out-out | out | 14.3799 | Saltbr-out | 12.6212 | HRD-out | -74.72, 150.84 | -121.92, -0.64 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3047 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, 165.9 | APE9-dihe-na | 80.3, -2.56 | APE8-dihe-out | -86.5, -17.61 | APE8-rot-out | 67.69 | APE67-dihe-in | -64.62, -33.64 | -56.41, -33.79 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 13.8346 | APE9-dist-out | 10.9728 | C34A,C127A,C233A,C240A | None | None | XRAY | 2.29 | 0.217 | 0.245 | A | 294.0 | 274.0 | 14 | 41 | 31 | 10 | [[17, 287]] | 1.0 | 8i2n | Homo sapiens | TKL_RIPK1_HUMAN | TKL | 1.2e-72 | 250.6 | 6.0 | 265.0 | 260.0 | 155 | 156 | 157 | 159 | 161 | 45 | 63 | 67 | 135 | 137 | 136 | 138.0 | 210 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 93 | Receptor-interacting serine/threonine-protein kinase 1 |
| TKL | RIPK1 | RIPK1_HUMAN | 8I2NB | Q13546 | 7 | 294 | 671.0 | O4U:301 | Type2 | Inactive | DFGout | 14.697 | 10.0399 | BBAminus | -125.25, 179.41 | -140.6, 77.45 | -64.03, -29.8 | 306.36, 179.39 | -76.08, -10.88 | out-out | out | 14.3451 | Saltbr-out | 12.2725 | HRD-out | -90.28, 98.28 | -71.05, -2.88 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.7675 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, 36.59 | APE9-dihe-na | -60.07, -33.91 | APE8-dihe-out | -70.17, -30.34 | APE8-rot-out | 44.28 | APE67-dihe-in | -58.09, -33.7 | -66.92, -25.73 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 19.4298 | APE9-dist-out | 13.0835 | C34A,C127A,C233A,C240A | None | None | XRAY | 2.29 | 0.217 | 0.245 | B | 294.0 | 263.0 | 25 | 41 | 25 | 16 | [[17, 287]] | 1.0 | 8i2n | Homo sapiens | TKL_RIPK1_HUMAN | TKL | 1.2e-72 | 250.6 | 6.0 | 265.0 | 260.0 | 155 | 156 | 157 | 159 | 161 | 45 | 63 | 67 | 135 | 137 | 136 | 138.0 | 210 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 93 | Receptor-interacting serine/threonine-protein kinase 1 |
| 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 |
|---|