| 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 | 6HMXA | O43353 | 5 | 310 | 540.0 | GEZ:401 | Type1 | Inactive | DFGin | 6.2358 | 14.3161 | BLAminus | -124.52, -177.56 | 66.8, 84.95 | -109.14, 29.79 | 295.83, 94.07 | -68.94, -45.49 | in-in | in | 7.794 | Saltbr-in | 3.2337 | HRD-in | -58.38, -60.47 | 64.01, 17.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7998 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, -151.32 | APE9-dihe-na | -124.57, -125.51 | APE8-dihe-in | -82.66, 129.77 | APE8-rot-out | 187.19 | APE67-dihe-in | -64.93, -22.0 | -95.67, -1.42 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 10.5562 | APE9-dist-out | 10.4465 | None | None | None | XRAY | 2.53 | 0.166 | 0.192 | A | 311.0 | 280.0 | 26 | 33 | 18 | 15 | [[18, 292]] | 1.0 | 6hmx | TKL_RIPK2_HUMAN | TKL | 4.5e-73 | 252.0 | 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 | 6HMXB | O43353 | 5 | 310 | 540.0 | GEZ:401 | Type1 | Inactive | DFGin | 6.1862 | 14.368 | BLAminus | -124.43, -176.46 | 65.93, 86.3 | -112.37, 30.95 | 293.81, 90.5 | -69.1, -47.31 | in-in | in | 7.9189 | Saltbr-in | 3.1559 | HRD-in | -59.3, -60.67 | 66.8, 11.61 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8129 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, 165.56 | APE9-dihe-na | -122.56, -147.83 | APE8-dihe-in | -59.45, 144.61 | APE8-rot-out | 192.64 | APE67-dihe-in | -62.6, -17.14 | -111.83, -1.61 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.6547 | APE9-dist-out | 11.1676 | None | None | None | XRAY | 2.53 | 0.166 | 0.192 | B | 311.0 | 282.0 | 24 | 33 | 19 | 14 | [[18, 292]] | 1.0 | 6hmx | TKL_RIPK2_HUMAN | TKL | 4.5e-73 | 252.0 | 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 | 6HMXA | O43353 | 5 | 310 | 540.0 | GEZ:401 | Type1 | Inactive | DFGin | 6.2358 | 14.3161 | BLAminus | -124.52, -177.56 | 66.8, 84.95 | -109.14, 29.79 | 295.83, 94.07 | -68.94, -45.49 | in-in | in | 7.794 | Saltbr-in | 3.2337 | HRD-in | -58.38, -60.47 | 64.01, 17.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7998 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, -151.32 | APE9-dihe-na | -124.57, -125.51 | APE8-dihe-in | -82.66, 129.77 | APE8-rot-out | 187.19 | APE67-dihe-in | -64.93, -22.0 | -95.67, -1.42 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 10.5562 | APE9-dist-out | 10.4465 | None | None | None | XRAY | 2.53 | 0.166 | 0.192 | A | 311.0 | 280.0 | 26 | 33 | 18 | 15 | [[18, 292]] | 1.0 | 6hmx | Homo sapiens | TKL_RIPK2_HUMAN | TKL | 4.5e-73 | 252.0 | 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 | 6HMXB | O43353 | 5 | 310 | 540.0 | GEZ:401 | Type1 | Inactive | DFGin | 6.1862 | 14.368 | BLAminus | -124.43, -176.46 | 65.93, 86.3 | -112.37, 30.95 | 293.81, 90.5 | -69.1, -47.31 | in-in | in | 7.9189 | Saltbr-in | 3.1559 | HRD-in | -59.3, -60.67 | 66.8, 11.61 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8129 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, 165.56 | APE9-dihe-na | -122.56, -147.83 | APE8-dihe-in | -59.45, 144.61 | APE8-rot-out | 192.64 | APE67-dihe-in | -62.6, -17.14 | -111.83, -1.61 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.6547 | APE9-dist-out | 11.1676 | None | None | None | XRAY | 2.53 | 0.166 | 0.192 | B | 311.0 | 282.0 | 24 | 33 | 19 | 14 | [[18, 292]] | 1.0 | 6hmx | Homo sapiens | TKL_RIPK2_HUMAN | TKL | 4.5e-73 | 252.0 | 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 |
|---|