| 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 | 4ITJA | Q13546 | 8 | 294 | 671.0 | 1HX:301 | Type2 | Inactive | DFGout | 14.0125 | 9.1293 | BBAminus | -136.14, 158.72 | -113.11, 65.66 | -67.83, -29.38 | 295.84, 1.08 | -82.31, 2.17 | out-out | out | 13.7931 | Saltbr-out | 12.1104 | HRD-in | -65.33, -53.51 | 83.49, -21.7 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.4701 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 67.46 | APE8-dihe-in | -61.72, 146.74 | APE8-rot-out | 197.87 | APE67-dihe-in | -67.31, -25.57 | -109.11, 4.06 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.622 | C34A,C127A,C233A,C240A | None | None | XRAY | 1.8 | 0.189 | 0.222 | A | 294.0 | 261.0 | 26 | 41 | 23 | 18 | [[17, 287]] | 1.0 | 4itj | 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 | 4ITJB | Q13546 | 7 | 294 | 671.0 | 1HX:301 | Type2 | Inactive | DFGout | 14.0864 | 9.4307 | BBAminus | -128.78, 163.03 | -112.89, 67.55 | -67.91, -19.67 | 298.87, 2.73 | -88.99, 2.64 | out-out | out | 13.5773 | Saltbr-out | 12.0822 | HRD-in | -67.42, -52.94 | 85.17, -18.35 | out-out-none | SNCoon | out-none | ActLoopNT-out | 6.3878 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -9.31 | APE8-rot-in | 268.88 | APE67-dihe-in | -69.48, -22.39 | -56.33, -37.34 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C34A,C127A,C233A,C240A | None | None | XRAY | 1.8 | 0.189 | 0.222 | B | 294.0 | 276.0 | 12 | 41 | 29 | 12 | [[17, 287]] | 1.0 | 4itj | 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 | 4ITJA | Q13546 | 8 | 294 | 671.0 | 1HX:301 | Type2 | Inactive | DFGout | 14.0125 | 9.1293 | BBAminus | -136.14, 158.72 | -113.11, 65.66 | -67.83, -29.38 | 295.84, 1.08 | -82.31, 2.17 | out-out | out | 13.7931 | Saltbr-out | 12.1104 | HRD-in | -65.33, -53.51 | 83.49, -21.7 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.4701 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 67.46 | APE8-dihe-in | -61.72, 146.74 | APE8-rot-out | 197.87 | APE67-dihe-in | -67.31, -25.57 | -109.11, 4.06 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.622 | C34A,C127A,C233A,C240A | None | None | XRAY | 1.8 | 0.189 | 0.222 | A | 294.0 | 261.0 | 26 | 41 | 23 | 18 | [[17, 287]] | 1.0 | 4itj | 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 | 4ITJB | Q13546 | 7 | 294 | 671.0 | 1HX:301 | Type2 | Inactive | DFGout | 14.0864 | 9.4307 | BBAminus | -128.78, 163.03 | -112.89, 67.55 | -67.91, -19.67 | 298.87, 2.73 | -88.99, 2.64 | out-out | out | 13.5773 | Saltbr-out | 12.0822 | HRD-in | -67.42, -52.94 | 85.17, -18.35 | out-out-none | SNCoon | out-none | ActLoopNT-out | 6.3878 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -9.31 | APE8-rot-in | 268.88 | APE67-dihe-in | -69.48, -22.39 | -56.33, -37.34 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C34A,C127A,C233A,C240A | None | None | XRAY | 1.8 | 0.189 | 0.222 | B | 294.0 | 276.0 | 12 | 41 | 29 | 12 | [[17, 287]] | 1.0 | 4itj | 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 |
|---|