| 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 | 5AR2A | O43353 | 4 | 310 | 540.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9315 | 14.5204 | BLAminus | -127.38, -176.39 | 62.31, 78.66 | -95.92, 24.69 | 288.34, 80.55 | -59.09, -44.11 | in-in | in | 8.4919 | Saltbr-in | 2.871 | HRD-in | -75.18, -53.25 | 68.8, 7.8 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7969 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, 116.83 | APE9-dihe-na | -174.85, -153.32 | APE8-dihe-in | -65.24, 140.18 | APE8-rot-out | 190.57 | APE67-dihe-in | -65.15, -22.55 | -115.33, 6.89 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.3853 | APE9-dist-out | 10.606 | None | None | None | XRAY | 2.44 | 0.172 | 0.211 | A | 326.0 | 277.0 | 30 | 33 | 19 | 14 | [[18, 292]] | 1.0 | 5ar2 | TKL_RIPK2_HUMAN | TKL | 5.3e-73 | 251.8 | 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 | 5AR2B | O43353 | 4 | 310 | 540.0 | No_ligand | No_ligand | Inactive | DFGin | 6.0514 | 14.5222 | BLAminus | -121.7, 177.66 | 61.53, 80.64 | -98.26, 20.96 | 286.82, 74.03 | -54.66, -35.04 | in-in | in | 8.4347 | Saltbr-in | 3.4795 | HRD-in | -73.03, -54.01 | 65.44, 6.7 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8619 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | -62.83, 130.3 | APE9-dihe-na | -160.33, 164.95 | APE8-dihe-in | -67.1, 149.78 | APE8-rot-out | 186.39 | APE67-dihe-in | -54.03, -24.23 | -110.46, -3.23 | APE12-dist-in | 11.9721 | APE11-dist-in | 9.9909 | APE10-dist-out | 13.0438 | APE9-dist-out | 10.6303 | None | None | None | XRAY | 2.44 | 0.172 | 0.211 | B | 326.0 | 285.0 | 22 | 33 | 22 | 11 | [[18, 292]] | 1.0 | 5ar2 | TKL_RIPK2_HUMAN | TKL | 5.3e-73 | 251.8 | 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 | 5AR2A | O43353 | 4 | 310 | 540.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9315 | 14.5204 | BLAminus | -127.38, -176.39 | 62.31, 78.66 | -95.92, 24.69 | 288.34, 80.55 | -59.09, -44.11 | in-in | in | 8.4919 | Saltbr-in | 2.871 | HRD-in | -75.18, -53.25 | 68.8, 7.8 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7969 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, 116.83 | APE9-dihe-na | -174.85, -153.32 | APE8-dihe-in | -65.24, 140.18 | APE8-rot-out | 190.57 | APE67-dihe-in | -65.15, -22.55 | -115.33, 6.89 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.3853 | APE9-dist-out | 10.606 | None | None | None | XRAY | 2.44 | 0.172 | 0.211 | A | 326.0 | 277.0 | 30 | 33 | 19 | 14 | [[18, 292]] | 1.0 | 5ar2 | Homo sapiens | TKL_RIPK2_HUMAN | TKL | 5.3e-73 | 251.8 | 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 | 5AR2B | O43353 | 4 | 310 | 540.0 | No_ligand | No_ligand | Inactive | DFGin | 6.0514 | 14.5222 | BLAminus | -121.7, 177.66 | 61.53, 80.64 | -98.26, 20.96 | 286.82, 74.03 | -54.66, -35.04 | in-in | in | 8.4347 | Saltbr-in | 3.4795 | HRD-in | -73.03, -54.01 | 65.44, 6.7 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8619 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | -62.83, 130.3 | APE9-dihe-na | -160.33, 164.95 | APE8-dihe-in | -67.1, 149.78 | APE8-rot-out | 186.39 | APE67-dihe-in | -54.03, -24.23 | -110.46, -3.23 | APE12-dist-in | 11.9721 | APE11-dist-in | 9.9909 | APE10-dist-out | 13.0438 | APE9-dist-out | 10.6303 | None | None | None | XRAY | 2.44 | 0.172 | 0.211 | B | 326.0 | 285.0 | 22 | 33 | 22 | 11 | [[18, 292]] | 1.0 | 5ar2 | Homo sapiens | TKL_RIPK2_HUMAN | TKL | 5.3e-73 | 251.8 | 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 |
|---|