| 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 | 4ITIA | Q13546 | 8 | 294 | 671.0 | 1HW:301 | Type3 | Inactive | DFGout | 14.8088 | 7.5362 | BBAminus | -119.39, 171.24 | -131.64, 70.92 | -77.19, -1.86 | 301.33, 175.38 | -111.16, 12.31 | out-out | out | 14.461 | Saltbr-out | 12.0215 | HRD-in | -63.67, -39.02 | 58.78, 3.1 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.063 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, 135.54 | APE9-dihe-na | -28.2, -40.78 | APE8-dihe-out | -49.5, 2.2 | APE8-rot-out | 126.42 | APE67-dihe-in | -74.62, -10.45 | -88.53, -16.49 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 14.6119 | APE9-dist-out | 11.9194 | C34A,C127A,C233A,C240A | None | None | XRAY | 2.86 | 0.229 | 0.267 | A | 294.0 | 272.0 | 15 | 41 | 31 | 10 | [[17, 287]] | 1.0 | 4iti | 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 | 4ITIB | Q13546 | 7 | 294 | 671.0 | 1HW:301 | Type3 | Inactive | DFGout | 15.2875 | 8.279 | BBAminus | -133.02, 174.0 | -136.87, 74.76 | -71.37, -1.88 | 298.09, 0.08 | -118.72, 6.02 | out-out | out | 14.7355 | Saltbr-out | 12.1052 | HRD-in | -67.98, -50.79 | 78.94, -25.18 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.0291 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -36.75 | APE8-dihe-out | -48.23, -36.55 | APE8-rot-out | 178.41 | APE67-dihe-in | -64.1, -17.64 | -60.59, -39.77 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.5031 | C34A,C127A,C233A,C240A | None | None | XRAY | 2.86 | 0.229 | 0.267 | B | 294.0 | 270.0 | 18 | 41 | 30 | 11 | [[17, 287]] | 1.0 | 4iti | 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 | 4ITIA | Q13546 | 8 | 294 | 671.0 | 1HW:301 | Type3 | Inactive | DFGout | 14.8088 | 7.5362 | BBAminus | -119.39, 171.24 | -131.64, 70.92 | -77.19, -1.86 | 301.33, 175.38 | -111.16, 12.31 | out-out | out | 14.461 | Saltbr-out | 12.0215 | HRD-in | -63.67, -39.02 | 58.78, 3.1 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.063 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, 135.54 | APE9-dihe-na | -28.2, -40.78 | APE8-dihe-out | -49.5, 2.2 | APE8-rot-out | 126.42 | APE67-dihe-in | -74.62, -10.45 | -88.53, -16.49 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 14.6119 | APE9-dist-out | 11.9194 | C34A,C127A,C233A,C240A | None | None | XRAY | 2.86 | 0.229 | 0.267 | A | 294.0 | 272.0 | 15 | 41 | 31 | 10 | [[17, 287]] | 1.0 | 4iti | 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 | 4ITIB | Q13546 | 7 | 294 | 671.0 | 1HW:301 | Type3 | Inactive | DFGout | 15.2875 | 8.279 | BBAminus | -133.02, 174.0 | -136.87, 74.76 | -71.37, -1.88 | 298.09, 0.08 | -118.72, 6.02 | out-out | out | 14.7355 | Saltbr-out | 12.1052 | HRD-in | -67.98, -50.79 | 78.94, -25.18 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.0291 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -36.75 | APE8-dihe-out | -48.23, -36.55 | APE8-rot-out | 178.41 | APE67-dihe-in | -64.1, -17.64 | -60.59, -39.77 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.5031 | C34A,C127A,C233A,C240A | None | None | XRAY | 2.86 | 0.229 | 0.267 | B | 294.0 | 270.0 | 18 | 41 | 30 | 11 | [[17, 287]] | 1.0 | 4iti | 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 |
|---|