| 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 | RIPK2 | RIPK2_HUMAN | 4C8BA | O43353 | 8 | 316 | 540.0 | 0LI:1000 | Type2 | Inactive | DFGout | 12.7285 | 8.5841 | None | -142.99, -175.55 | -154.35, 140.4 | -129.56, 999.0 | 290.55, 114.67 | 999.0, 999.0 | in-in | in | 8.2431 | Saltbr-in | 2.8173 | HRD-in | -79.84, -58.2 | 64.89, 19.36 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoni | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -36.9 | APE8-dihe-out | -84.71, -55.98 | APE8-rot-none | 999.0 | APE67-dihe-in | -64.98, -25.64 | -68.13, -16.01 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 12.2944 | None | None | None | XRAY | 2.75 | 0.203 | 0.244 | A | 334.0 | 279.0 | 30 | 33 | 11 | 22 | [[18, 292]] | 1.0 | 4c8b | TKL_RIPK2_HUMAN | TKL | 3.4e-73 | 252.4 | 4.0 | 266.0 | 263.0 | 163 | 164 | 165 | 167 | 169 | 47 | 66 | 70 | 143 | 145 | 144 | 146.0 | 211 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 96 | Receptor-interacting serine/threonine-protein kinase 2 |
| TKL | RIPK2 | RIPK2_HUMAN | 4C8BB | O43353 | 9 | 316 | 540.0 | 0LI:1000 | Type2 | Inactive | DFGout | 12.8402 | 8.8595 | None | -140.63, -176.63 | -153.18, 138.54 | -119.75, 999.0 | 285.35, 113.34 | 999.0, 999.0 | in-in | in | 8.2645 | Saltbr-in | 2.8058 | HRD-in | -79.98, -59.74 | 66.42, 17.86 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -39.27 | APE8-dihe-out | -68.6, -38.75 | APE8-rot-out | 169.06 | APE67-dihe-in | -64.78, -24.38 | -61.46, -15.15 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.4449 | None | None | None | XRAY | 2.75 | 0.203 | 0.244 | B | 334.0 | 281.0 | 27 | 33 | 11 | 22 | [[18, 292]] | 1.0 | 4c8b | TKL_RIPK2_HUMAN | TKL | 3.4e-73 | 252.4 | 4.0 | 266.0 | 263.0 | 163 | 164 | 165 | 167 | 169 | 47 | 66 | 70 | 143 | 145 | 144 | 146.0 | 211 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 96 | Receptor-interacting serine/threonine-protein kinase 2 |
| 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 | RIPK2 | RIPK2_HUMAN | 4C8BA | O43353 | 8 | 316 | 540.0 | 0LI:1000 | Type2 | Inactive | DFGout | 12.7285 | 8.5841 | None | -142.99, -175.55 | -154.35, 140.4 | -129.56, 999.0 | 290.55, 114.67 | 999.0, 999.0 | in-in | in | 8.2431 | Saltbr-in | 2.8173 | HRD-in | -79.84, -58.2 | 64.89, 19.36 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoni | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -36.9 | APE8-dihe-out | -84.71, -55.98 | APE8-rot-none | 999.0 | APE67-dihe-in | -64.98, -25.64 | -68.13, -16.01 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 12.2944 | None | None | None | XRAY | 2.75 | 0.203 | 0.244 | A | 334.0 | 279.0 | 30 | 33 | 11 | 22 | [[18, 292]] | 1.0 | 4c8b | Homo sapiens | TKL_RIPK2_HUMAN | TKL | 3.4e-73 | 252.4 | 4.0 | 266.0 | 263.0 | 163 | 164 | 165 | 167 | 169 | 47 | 66 | 70 | 143 | 145 | 144 | 146.0 | 211 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 96 | Receptor-interacting serine/threonine-protein kinase 2 |
| TKL | RIPK2 | RIPK2_HUMAN | 4C8BB | O43353 | 9 | 316 | 540.0 | 0LI:1000 | Type2 | Inactive | DFGout | 12.8402 | 8.8595 | None | -140.63, -176.63 | -153.18, 138.54 | -119.75, 999.0 | 285.35, 113.34 | 999.0, 999.0 | in-in | in | 8.2645 | Saltbr-in | 2.8058 | HRD-in | -79.98, -59.74 | 66.42, 17.86 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -39.27 | APE8-dihe-out | -68.6, -38.75 | APE8-rot-out | 169.06 | APE67-dihe-in | -64.78, -24.38 | -61.46, -15.15 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.4449 | None | None | None | XRAY | 2.75 | 0.203 | 0.244 | B | 334.0 | 281.0 | 27 | 33 | 11 | 22 | [[18, 292]] | 1.0 | 4c8b | Homo sapiens | TKL_RIPK2_HUMAN | TKL | 3.4e-73 | 252.4 | 4.0 | 266.0 | 263.0 | 163 | 164 | 165 | 167 | 169 | 47 | 66 | 70 | 143 | 145 | 144 | 146.0 | 211 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 96 | Receptor-interacting serine/threonine-protein kinase 2 |
| 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 |
|---|