| 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 | 6ES0A | O43353 | 5 | 316 | 540.0 | BW8:401 | Type2 | Inactive | DFGout | 14.1211 | 8.9233 | BBAminus | -138.52, -178.62 | -150.57, 111.81 | -84.27, -8.2 | 285.77, 101.08 | -70.34, 157.2 | in-in | in | 8.2327 | Saltbr-in | 2.7817 | HRD-in | -75.11, -58.32 | 62.84, 20.2 | in-out-out | SNCioo | out-out | ActLoopNT-out | 10.2709 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -68.98 | APE8-dihe-out | -81.68, 11.21 | APE8-rot-out | 56.58 | APE67-dihe-in | -75.1, -13.25 | -106.14, -1.07 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.3743 | None | None | None | XRAY | 2.38 | 0.216 | 0.258 | A | 317.0 | 288.0 | 24 | 33 | 16 | 17 | [[18, 292]] | 1.0 | 6es0 | TKL_RIPK2_HUMAN | TKL | 4.8e-73 | 251.9 | 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 | 6ES0B | O43353 | 5 | 315 | 540.0 | BW8:401 | Type2 | Inactive | DFGout | 14.0432 | 9.0664 | BBAminus | -137.57, -177.15 | -156.56, 109.76 | -81.72, 4.5 | 291.34, 90.75 | -64.05, 168.24 | in-in | in | 8.6494 | Saltbr-in | 2.8001 | HRD-in | -85.89, -59.6 | 64.07, 17.46 | in-out-out | SNCioo | out-out | ActLoopNT-out | 10.8379 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 174.42 | APE8-dihe-in | -71.95, 155.63 | APE8-rot-out | 184.48 | APE67-dihe-in | -73.42, -23.5 | -115.93, 5.95 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.1118 | None | None | None | XRAY | 2.38 | 0.216 | 0.258 | B | 317.0 | 287.0 | 24 | 33 | 17 | 16 | [[18, 292]] | 1.0 | 6es0 | TKL_RIPK2_HUMAN | TKL | 4.8e-73 | 251.9 | 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 | 6ES0A | O43353 | 5 | 316 | 540.0 | BW8:401 | Type2 | Inactive | DFGout | 14.1211 | 8.9233 | BBAminus | -138.52, -178.62 | -150.57, 111.81 | -84.27, -8.2 | 285.77, 101.08 | -70.34, 157.2 | in-in | in | 8.2327 | Saltbr-in | 2.7817 | HRD-in | -75.11, -58.32 | 62.84, 20.2 | in-out-out | SNCioo | out-out | ActLoopNT-out | 10.2709 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -68.98 | APE8-dihe-out | -81.68, 11.21 | APE8-rot-out | 56.58 | APE67-dihe-in | -75.1, -13.25 | -106.14, -1.07 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.3743 | None | None | None | XRAY | 2.38 | 0.216 | 0.258 | A | 317.0 | 288.0 | 24 | 33 | 16 | 17 | [[18, 292]] | 1.0 | 6es0 | Homo sapiens | TKL_RIPK2_HUMAN | TKL | 4.8e-73 | 251.9 | 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 | 6ES0B | O43353 | 5 | 315 | 540.0 | BW8:401 | Type2 | Inactive | DFGout | 14.0432 | 9.0664 | BBAminus | -137.57, -177.15 | -156.56, 109.76 | -81.72, 4.5 | 291.34, 90.75 | -64.05, 168.24 | in-in | in | 8.6494 | Saltbr-in | 2.8001 | HRD-in | -85.89, -59.6 | 64.07, 17.46 | in-out-out | SNCioo | out-out | ActLoopNT-out | 10.8379 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 174.42 | APE8-dihe-in | -71.95, 155.63 | APE8-rot-out | 184.48 | APE67-dihe-in | -73.42, -23.5 | -115.93, 5.95 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.1118 | None | None | None | XRAY | 2.38 | 0.216 | 0.258 | B | 317.0 | 287.0 | 24 | 33 | 17 | 16 | [[18, 292]] | 1.0 | 6es0 | Homo sapiens | TKL_RIPK2_HUMAN | TKL | 4.8e-73 | 251.9 | 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 |
|---|