| 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 | ABL1 | ABL1_HUMAN | 7W7XA | P00519 | 232 | 500 | 1130.0 | 8DW:601 | Type1 | Inactive | DFGinter | 9.5584 | 7.7862 | BABtrans | -66.93, 131.45 | -122.59, 21.38 | -82.27, 129.13 | 176.71, 100.61 | 108.56, 2.12 | in-out | in | 8.6645 | Saltbr-out | 7.9297 | HRD-in | -95.77, -52.9 | 76.52, -0.83 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.685 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -108.59, 134.23 | APE9-dihe-in | -113.71, 159.94 | APE8-dihe-in | -76.77, 96.08 | APE8-rot-na | 26.73 | APE67-dihe-in | -68.1, -14.3 | -52.64, -46.2 | APE12-dist-na | 19.8276 | APE11-dist-na | 15.1289 | APE10-dist-na | 17.9526 | APE9-dist-in | 7.3471 | None | PTR393 | PTR393 | XRAY | 2.0 | 0.169 | 0.195 | A | 272.0 | 267.0 | 2 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 7w7x | TYR_ABL1_HUMAN | TYR | 2.2e-100 | 341.2 | 1.0 | 260.0 | 260.0 | 380 | 381 | 382 | 384 | 386 | 271 | 286 | 290 | 360 | 362 | 361 | 363.0 | 421 | 409 | 404 | 403 | 402 | 401 | 400 | 399 | 398 | 316 | Tyrosine-protein kinase ABL1 |
| TYR | ABL1 | ABL1_HUMAN | 7W7XB | P00519 | 232 | 500 | 1130.0 | 8DW:601 | Type1 | Inactive | DFGinter | 9.8455 | 8.1882 | BABtrans | -65.38, 135.53 | -123.74, 24.69 | -80.57, 130.18 | 174.46, 98.91 | 106.66, 2.32 | in-out | in | 9.0361 | Saltbr-out | 8.3302 | HRD-in | -94.74, -54.5 | 74.93, -0.49 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.5621 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -108.89, 134.45 | APE9-dihe-in | -117.49, 159.07 | APE8-dihe-in | -74.94, 99.68 | APE8-rot-na | 25.49 | APE67-dihe-in | -68.63, -15.91 | -51.43, -45.15 | APE12-dist-na | 18.715 | APE11-dist-na | 13.9965 | APE10-dist-na | 17.1335 | APE9-dist-in | 6.9919 | None | PTR393 | PTR393 | XRAY | 2.0 | 0.169 | 0.195 | B | 272.0 | 264.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 7w7x | TYR_ABL1_HUMAN | TYR | 2.2e-100 | 341.2 | 1.0 | 260.0 | 260.0 | 380 | 381 | 382 | 384 | 386 | 271 | 286 | 290 | 360 | 362 | 361 | 363.0 | 421 | 409 | 404 | 403 | 402 | 401 | 400 | 399 | 398 | 316 | Tyrosine-protein kinase ABL1 |
| 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 | ABL1 | ABL1_HUMAN | 7W7XA | P00519 | 232 | 500 | 1130.0 | 8DW:601 | Type1 | Inactive | DFGinter | 9.5584 | 7.7862 | BABtrans | -66.93, 131.45 | -122.59, 21.38 | -82.27, 129.13 | 176.71, 100.61 | 108.56, 2.12 | in-out | in | 8.6645 | Saltbr-out | 7.9297 | HRD-in | -95.77, -52.9 | 76.52, -0.83 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.685 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -108.59, 134.23 | APE9-dihe-in | -113.71, 159.94 | APE8-dihe-in | -76.77, 96.08 | APE8-rot-na | 26.73 | APE67-dihe-in | -68.1, -14.3 | -52.64, -46.2 | APE12-dist-na | 19.8276 | APE11-dist-na | 15.1289 | APE10-dist-na | 17.9526 | APE9-dist-in | 7.3471 | None | PTR393 | PTR393 | XRAY | 2.0 | 0.169 | 0.195 | A | 272.0 | 267.0 | 2 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 7w7x | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.2e-100 | 341.2 | 1.0 | 260.0 | 260.0 | 380 | 381 | 382 | 384 | 386 | 271 | 286 | 290 | 360 | 362 | 361 | 363.0 | 421 | 409 | 404 | 403 | 402 | 401 | 400 | 399 | 398 | 316 | Tyrosine-protein kinase ABL1 |
| TYR | ABL1 | ABL1_HUMAN | 7W7XB | P00519 | 232 | 500 | 1130.0 | 8DW:601 | Type1 | Inactive | DFGinter | 9.8455 | 8.1882 | BABtrans | -65.38, 135.53 | -123.74, 24.69 | -80.57, 130.18 | 174.46, 98.91 | 106.66, 2.32 | in-out | in | 9.0361 | Saltbr-out | 8.3302 | HRD-in | -94.74, -54.5 | 74.93, -0.49 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.5621 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -108.89, 134.45 | APE9-dihe-in | -117.49, 159.07 | APE8-dihe-in | -74.94, 99.68 | APE8-rot-na | 25.49 | APE67-dihe-in | -68.63, -15.91 | -51.43, -45.15 | APE12-dist-na | 18.715 | APE11-dist-na | 13.9965 | APE10-dist-na | 17.1335 | APE9-dist-in | 6.9919 | None | PTR393 | PTR393 | XRAY | 2.0 | 0.169 | 0.195 | B | 272.0 | 264.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 7w7x | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.2e-100 | 341.2 | 1.0 | 260.0 | 260.0 | 380 | 381 | 382 | 384 | 386 | 271 | 286 | 290 | 360 | 362 | 361 | 363.0 | 421 | 409 | 404 | 403 | 402 | 401 | 400 | 399 | 398 | 316 | Tyrosine-protein kinase ABL1 |
| 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 |
|---|