| 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 | 4TWPA | P00519 | 233 | 503 | 1130.0 | AXI:601 | Type1 | Active | DFGin | 6.8259 | 13.373 | BLAminus | -126.1, -169.4 | 57.38, 73.68 | -93.34, 9.79 | 307.92, 111.58 | -48.96, -36.81 | in-in | in | 7.9815 | Saltbr-in | 2.4457 | HRD-in | -95.85, -58.6 | 83.7, -5.53 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9456 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -122.5, 146.64 | APE9-dihe-in | -124.84, 163.92 | APE8-dihe-in | -72.62, 90.26 | APE8-rot-na | 28.03 | APE67-dihe-in | -71.19, -17.43 | -45.75, -44.99 | APE12-dist-na | 14.9888 | APE11-dist-na | 10.1946 | APE10-dist-na | 13.2123 | APE9-dist-in | 7.1681 | T315I | None | None | XRAY | 2.4 | 0.213 | 0.241 | A | 271.0 | 266.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 4twp | TYR_ABL1_HUMAN | TYR | 4.4e-100 | 340.2 | 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 | 4TWPB | P00519 | 233 | 503 | 1130.0 | AXI:601 | Type1 | Active | DFGin | 6.7276 | 13.1173 | BLAminus | -138.14, -168.47 | 59.67, 66.52 | -88.52, 8.05 | 307.93, 102.65 | -49.29, -39.91 | in-in | in | 7.7725 | Saltbr-in | 2.6482 | HRD-in | -82.31, -50.76 | 78.18, -18.83 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9595 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -126.57, 120.03 | APE9-dihe-in | -116.59, 156.81 | APE8-dihe-in | -66.81, 119.12 | APE8-rot-na | 347.15 | APE67-dihe-in | -70.99, -21.45 | -67.92, -38.41 | APE12-dist-na | 15.2079 | APE11-dist-na | 10.6544 | APE10-dist-na | 13.0356 | APE9-dist-in | 6.8475 | T315I | None | None | XRAY | 2.4 | 0.213 | 0.241 | B | 271.0 | 271.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 4twp | TYR_ABL1_HUMAN | TYR | 4.4e-100 | 340.2 | 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 | 4TWPA | P00519 | 233 | 503 | 1130.0 | AXI:601 | Type1 | Active | DFGin | 6.8259 | 13.373 | BLAminus | -126.1, -169.4 | 57.38, 73.68 | -93.34, 9.79 | 307.92, 111.58 | -48.96, -36.81 | in-in | in | 7.9815 | Saltbr-in | 2.4457 | HRD-in | -95.85, -58.6 | 83.7, -5.53 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9456 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -122.5, 146.64 | APE9-dihe-in | -124.84, 163.92 | APE8-dihe-in | -72.62, 90.26 | APE8-rot-na | 28.03 | APE67-dihe-in | -71.19, -17.43 | -45.75, -44.99 | APE12-dist-na | 14.9888 | APE11-dist-na | 10.1946 | APE10-dist-na | 13.2123 | APE9-dist-in | 7.1681 | T315I | None | None | XRAY | 2.4 | 0.213 | 0.241 | A | 271.0 | 266.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 4twp | Homo sapiens | TYR_ABL1_HUMAN | TYR | 4.4e-100 | 340.2 | 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 | 4TWPB | P00519 | 233 | 503 | 1130.0 | AXI:601 | Type1 | Active | DFGin | 6.7276 | 13.1173 | BLAminus | -138.14, -168.47 | 59.67, 66.52 | -88.52, 8.05 | 307.93, 102.65 | -49.29, -39.91 | in-in | in | 7.7725 | Saltbr-in | 2.6482 | HRD-in | -82.31, -50.76 | 78.18, -18.83 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9595 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -126.57, 120.03 | APE9-dihe-in | -116.59, 156.81 | APE8-dihe-in | -66.81, 119.12 | APE8-rot-na | 347.15 | APE67-dihe-in | -70.99, -21.45 | -67.92, -38.41 | APE12-dist-na | 15.2079 | APE11-dist-na | 10.6544 | APE10-dist-na | 13.0356 | APE9-dist-in | 6.8475 | T315I | None | None | XRAY | 2.4 | 0.213 | 0.241 | B | 271.0 | 271.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 4twp | Homo sapiens | TYR_ABL1_HUMAN | TYR | 4.4e-100 | 340.2 | 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 |
|---|