| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TYR | TNK2 | ACK1_HUMAN | 8HMTA | Q07912 | 117 | 389 | 1038.0 | LWX:401 | Type1.5_Back | Inactive | DFGin | 6.4729 | 13.951 | ABAminus | -118.49, 19.83 | -162.39, 140.84 | -133.87, 20.8 | 306.3, 104.45 | -62.09, -37.78 | in-out | in | 9.0421 | Saltbr-out | 3.7008 | HRD-in | -83.9, -47.14 | 69.67, 4.35 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.1982 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -131.87, 119.25 | APE9-dihe-in | -119.04, 129.31 | APE8-dihe-in | -48.41, 121.71 | APE8-rot-na | 329.76 | APE67-dihe-in | -54.06, -45.26 | -70.98, -26.96 | APE12-dist-na | 11.8922 | APE11-dist-na | 7.0236 | APE10-dist-na | 10.3283 | APE9-dist-in | 6.2242 | None | None | None | XRAY | 3.17 | 0.209 | 0.264 | A | 273.0 | 270.0 | 3 | 31 | 31 | 0 | [[126, 387]] | 1.0 | 8hmt | TYR_TNK2_HUMAN | TYR | 7.1e-86 | 293.6 | 1.0 | 259.0 | 259.0 | 269 | 270 | 271 | 273 | 275 | 158 | 177 | 181 | 249 | 251 | 250 | 252.0 | 312 | 300 | 295 | 294 | 293 | 292 | 291 | 290 | 289 | 206 | Activated CDC42 kinase 1 |
| TYR | TNK2 | ACK1_HUMAN | 8HMTB | Q07912 | 117 | 388 | 1038.0 | LWX:401 | Type1.5_Back | Inactive | DFGin | 6.5293 | 13.483 | ABAminus | -91.46, -72.88 | -101.02, 153.06 | -135.07, 25.09 | 315.45, 85.41 | -54.87, -35.23 | in-in | in | 8.8835 | Saltbr-in | 3.5996 | HRD-in | -84.2, -43.48 | 69.63, 0.96 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0633 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -126.21, 93.78 | APE9-dihe-in | -110.75, 147.04 | APE8-dihe-in | -62.13, 122.57 | APE8-rot-na | 330.26 | APE67-dihe-in | -58.09, -48.9 | -67.75, -29.14 | APE12-dist-na | 12.2872 | APE11-dist-na | 7.6989 | APE10-dist-na | 10.1436 | APE9-dist-in | 6.7515 | None | None | None | XRAY | 3.17 | 0.209 | 0.264 | B | 273.0 | 269.0 | 3 | 31 | 31 | 0 | [[126, 387]] | 1.0 | 8hmt | TYR_TNK2_HUMAN | TYR | 7.1e-86 | 293.6 | 1.0 | 259.0 | 259.0 | 269 | 270 | 271 | 273 | 275 | 158 | 177 | 181 | 249 | 251 | 250 | 252.0 | 312 | 300 | 295 | 294 | 293 | 292 | 291 | 290 | 289 | 206 | Activated CDC42 kinase 1 |
| TYR | TNK2 | ACK1_HUMAN | 8HMTC | Q07912 | 117 | 389 | 1038.0 | LWX:401 | Type1.5_Back | Inactive | DFGin | 6.6912 | 13.3132 | ABAminus | -131.24, 29.48 | -133.92, 126.7 | -139.44, 20.75 | 308.54, 95.78 | -72.46, -43.8 | in-out | in | 8.8786 | Saltbr-out | 6.2022 | HRD-in | -85.66, -46.96 | 68.19, 1.14 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.0707 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -138.97, 132.16 | APE9-dihe-in | -105.55, 149.15 | APE8-dihe-in | -44.92, 133.48 | APE8-rot-na | 327.23 | APE67-dihe-in | -37.27, -59.27 | -63.72, -43.44 | APE12-dist-na | 12.373 | APE11-dist-na | 7.1129 | APE10-dist-na | 10.7313 | APE9-dist-in | 5.9562 | None | None | None | XRAY | 3.17 | 0.209 | 0.264 | C | 273.0 | 262.0 | 11 | 31 | 31 | 0 | [[126, 387]] | 1.0 | 8hmt | TYR_TNK2_HUMAN | TYR | 7.1e-86 | 293.6 | 1.0 | 259.0 | 259.0 | 269 | 270 | 271 | 273 | 275 | 158 | 177 | 181 | 249 | 251 | 250 | 252.0 | 312 | 300 | 295 | 294 | 293 | 292 | 291 | 290 | 289 | 206 | Activated CDC42 kinase 1 |
| TYR | TNK2 | ACK1_HUMAN | 8HMTD | Q07912 | 117 | 389 | 1038.0 | LWX:401 | Type1.5_Back | Inactive | DFGin | 6.3063 | 13.3328 | None | -101.89, -122.34 | -52.57, 148.88 | -124.51, 20.24 | 302.36, 99.89 | -60.05, -38.85 | in-out | in | 8.5635 | Saltbr-out | 3.702 | HRD-in | -85.57, -47.32 | 68.53, 3.51 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.0608 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -109.15, 128.97 | APE9-dihe-in | -122.52, 150.9 | APE8-dihe-in | -68.07, 94.15 | APE8-rot-na | 328.13 | APE67-dihe-in | -58.59, -46.12 | -66.12, -27.69 | APE12-dist-na | 12.502 | APE11-dist-na | 7.8076 | APE10-dist-na | 10.8535 | APE9-dist-in | 5.8558 | None | None | None | XRAY | 3.17 | 0.209 | 0.264 | D | 273.0 | 262.0 | 11 | 31 | 31 | 0 | [[126, 387]] | 1.0 | 8hmt | TYR_TNK2_HUMAN | TYR | 7.1e-86 | 293.6 | 1.0 | 259.0 | 259.0 | 269 | 270 | 271 | 273 | 275 | 158 | 177 | 181 | 249 | 251 | 250 | 252.0 | 312 | 300 | 295 | 294 | 293 | 292 | 291 | 290 | 289 | 206 | Activated CDC42 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TYR | TNK2 | ACK1_HUMAN | 8HMTA | Q07912 | 117 | 389 | 1038.0 | LWX:401 | Type1.5_Back | Inactive | DFGin | 6.4729 | 13.951 | ABAminus | -118.49, 19.83 | -162.39, 140.84 | -133.87, 20.8 | 306.3, 104.45 | -62.09, -37.78 | in-out | in | 9.0421 | Saltbr-out | 3.7008 | HRD-in | -83.9, -47.14 | 69.67, 4.35 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.1982 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -131.87, 119.25 | APE9-dihe-in | -119.04, 129.31 | APE8-dihe-in | -48.41, 121.71 | APE8-rot-na | 329.76 | APE67-dihe-in | -54.06, -45.26 | -70.98, -26.96 | APE12-dist-na | 11.8922 | APE11-dist-na | 7.0236 | APE10-dist-na | 10.3283 | APE9-dist-in | 6.2242 | None | None | None | XRAY | 3.17 | 0.209 | 0.264 | A | 273.0 | 270.0 | 3 | 31 | 31 | 0 | [[126, 387]] | 1.0 | 8hmt | Homo sapiens | TYR_TNK2_HUMAN | TYR | 7.1e-86 | 293.6 | 1.0 | 259.0 | 259.0 | 269 | 270 | 271 | 273 | 275 | 158 | 177 | 181 | 249 | 251 | 250 | 252.0 | 312 | 300 | 295 | 294 | 293 | 292 | 291 | 290 | 289 | 206 | Activated CDC42 kinase 1 |
| TYR | TNK2 | ACK1_HUMAN | 8HMTB | Q07912 | 117 | 388 | 1038.0 | LWX:401 | Type1.5_Back | Inactive | DFGin | 6.5293 | 13.483 | ABAminus | -91.46, -72.88 | -101.02, 153.06 | -135.07, 25.09 | 315.45, 85.41 | -54.87, -35.23 | in-in | in | 8.8835 | Saltbr-in | 3.5996 | HRD-in | -84.2, -43.48 | 69.63, 0.96 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0633 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -126.21, 93.78 | APE9-dihe-in | -110.75, 147.04 | APE8-dihe-in | -62.13, 122.57 | APE8-rot-na | 330.26 | APE67-dihe-in | -58.09, -48.9 | -67.75, -29.14 | APE12-dist-na | 12.2872 | APE11-dist-na | 7.6989 | APE10-dist-na | 10.1436 | APE9-dist-in | 6.7515 | None | None | None | XRAY | 3.17 | 0.209 | 0.264 | B | 273.0 | 269.0 | 3 | 31 | 31 | 0 | [[126, 387]] | 1.0 | 8hmt | Homo sapiens | TYR_TNK2_HUMAN | TYR | 7.1e-86 | 293.6 | 1.0 | 259.0 | 259.0 | 269 | 270 | 271 | 273 | 275 | 158 | 177 | 181 | 249 | 251 | 250 | 252.0 | 312 | 300 | 295 | 294 | 293 | 292 | 291 | 290 | 289 | 206 | Activated CDC42 kinase 1 |
| TYR | TNK2 | ACK1_HUMAN | 8HMTC | Q07912 | 117 | 389 | 1038.0 | LWX:401 | Type1.5_Back | Inactive | DFGin | 6.6912 | 13.3132 | ABAminus | -131.24, 29.48 | -133.92, 126.7 | -139.44, 20.75 | 308.54, 95.78 | -72.46, -43.8 | in-out | in | 8.8786 | Saltbr-out | 6.2022 | HRD-in | -85.66, -46.96 | 68.19, 1.14 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.0707 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -138.97, 132.16 | APE9-dihe-in | -105.55, 149.15 | APE8-dihe-in | -44.92, 133.48 | APE8-rot-na | 327.23 | APE67-dihe-in | -37.27, -59.27 | -63.72, -43.44 | APE12-dist-na | 12.373 | APE11-dist-na | 7.1129 | APE10-dist-na | 10.7313 | APE9-dist-in | 5.9562 | None | None | None | XRAY | 3.17 | 0.209 | 0.264 | C | 273.0 | 262.0 | 11 | 31 | 31 | 0 | [[126, 387]] | 1.0 | 8hmt | Homo sapiens | TYR_TNK2_HUMAN | TYR | 7.1e-86 | 293.6 | 1.0 | 259.0 | 259.0 | 269 | 270 | 271 | 273 | 275 | 158 | 177 | 181 | 249 | 251 | 250 | 252.0 | 312 | 300 | 295 | 294 | 293 | 292 | 291 | 290 | 289 | 206 | Activated CDC42 kinase 1 |
| TYR | TNK2 | ACK1_HUMAN | 8HMTD | Q07912 | 117 | 389 | 1038.0 | LWX:401 | Type1.5_Back | Inactive | DFGin | 6.3063 | 13.3328 | None | -101.89, -122.34 | -52.57, 148.88 | -124.51, 20.24 | 302.36, 99.89 | -60.05, -38.85 | in-out | in | 8.5635 | Saltbr-out | 3.702 | HRD-in | -85.57, -47.32 | 68.53, 3.51 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.0608 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -109.15, 128.97 | APE9-dihe-in | -122.52, 150.9 | APE8-dihe-in | -68.07, 94.15 | APE8-rot-na | 328.13 | APE67-dihe-in | -58.59, -46.12 | -66.12, -27.69 | APE12-dist-na | 12.502 | APE11-dist-na | 7.8076 | APE10-dist-na | 10.8535 | APE9-dist-in | 5.8558 | None | None | None | XRAY | 3.17 | 0.209 | 0.264 | D | 273.0 | 262.0 | 11 | 31 | 31 | 0 | [[126, 387]] | 1.0 | 8hmt | Homo sapiens | TYR_TNK2_HUMAN | TYR | 7.1e-86 | 293.6 | 1.0 | 259.0 | 259.0 | 269 | 270 | 271 | 273 | 275 | 158 | 177 | 181 | 249 | 251 | 250 | 252.0 | 312 | 300 | 295 | 294 | 293 | 292 | 291 | 290 | 289 | 206 | Activated CDC42 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 |
|---|