| 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 | 4ITHA | Q13546 | 8 | 294 | 671.0 | RCM:307 | Type3 | Inactive | DFGout | 14.1114 | 8.0418 | BBAminus | -124.73, 172.6 | -138.48, 68.81 | -68.88, -22.32 | 295.59, 2.39 | -91.07, 2.58 | out-out | out | 13.5983 | Saltbr-out | 12.9654 | HRD-in | -65.52, -52.94 | 79.64, -21.46 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.1245 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 174.47 | APE8-dihe-in | -73.02, 143.29 | APE8-rot-in | 249.4 | APE67-dihe-in | -62.29, -27.12 | -114.9, 22.61 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.706 | C34A,C127A,C233A,C240A | None | None | XRAY | 2.25 | 0.222 | 0.247 | A | 294.0 | 247.0 | 40 | 41 | 22 | 19 | [[17, 287]] | 1.0 | 4ith | 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 | 4ITHB | Q13546 | 7 | 294 | 671.0 | RCM:307 | Type3 | Inactive | DFGout | 13.9111 | 7.8802 | BBAminus | -124.36, 170.84 | -137.49, 67.98 | -68.97, -21.27 | 308.9, 171.62 | -88.43, 4.67 | out-out | out | 13.6712 | Saltbr-out | 12.3545 | HRD-in | -66.08, -61.08 | 99.79, -41.26 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.2873 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 176.33 | APE8-dihe-out | -80.2, -0.81 | APE8-rot-out | 76.21 | APE67-dihe-in | -69.94, -29.23 | -70.53, -20.15 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.3721 | C34A,C127A,C233A,C240A | None | None | XRAY | 2.25 | 0.222 | 0.247 | B | 294.0 | 270.0 | 18 | 41 | 29 | 12 | [[17, 287]] | 1.0 | 4ith | 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 | 4ITHA | Q13546 | 8 | 294 | 671.0 | RCM:307 | Type3 | Inactive | DFGout | 14.1114 | 8.0418 | BBAminus | -124.73, 172.6 | -138.48, 68.81 | -68.88, -22.32 | 295.59, 2.39 | -91.07, 2.58 | out-out | out | 13.5983 | Saltbr-out | 12.9654 | HRD-in | -65.52, -52.94 | 79.64, -21.46 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.1245 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 174.47 | APE8-dihe-in | -73.02, 143.29 | APE8-rot-in | 249.4 | APE67-dihe-in | -62.29, -27.12 | -114.9, 22.61 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.706 | C34A,C127A,C233A,C240A | None | None | XRAY | 2.25 | 0.222 | 0.247 | A | 294.0 | 247.0 | 40 | 41 | 22 | 19 | [[17, 287]] | 1.0 | 4ith | 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 | 4ITHB | Q13546 | 7 | 294 | 671.0 | RCM:307 | Type3 | Inactive | DFGout | 13.9111 | 7.8802 | BBAminus | -124.36, 170.84 | -137.49, 67.98 | -68.97, -21.27 | 308.9, 171.62 | -88.43, 4.67 | out-out | out | 13.6712 | Saltbr-out | 12.3545 | HRD-in | -66.08, -61.08 | 99.79, -41.26 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.2873 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 176.33 | APE8-dihe-out | -80.2, -0.81 | APE8-rot-out | 76.21 | APE67-dihe-in | -69.94, -29.23 | -70.53, -20.15 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.3721 | C34A,C127A,C233A,C240A | None | None | XRAY | 2.25 | 0.222 | 0.247 | B | 294.0 | 270.0 | 18 | 41 | 29 | 12 | [[17, 287]] | 1.0 | 4ith | 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 |
|---|