| 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 | 2V7AA | P00519 | 233 | 503 | 1130.0 | 627:1504 | Type1 | Active | DFGin | 6.8938 | 14.1604 | BLAminus | -145.06, -170.76 | 64.01, 66.73 | -92.57, 17.46 | 295.88, 104.37 | -56.64, -27.12 | in-in | in | 7.7819 | Saltbr-in | 2.5187 | HRD-in | -93.72, -56.9 | 83.27, 8.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.975 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -123.69, 132.9 | APE9-dihe-in | -115.95, 155.97 | APE8-dihe-in | -67.28, 120.19 | APE8-rot-na | 16.95 | APE67-dihe-in | -81.75, -3.2 | -58.95, -43.12 | APE12-dist-na | 14.8661 | APE11-dist-na | 10.2235 | APE10-dist-na | 13.0157 | APE9-dist-in | 6.8409 | T315I | PTR393 | PTR393 | XRAY | 2.5 | 0.209 | 0.246 | A | 286.0 | 271.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2v7a | TYR_ABL1_HUMAN | TYR | 5.3e-100 | 339.9 | 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 | 2V7AB | P00519 | 234 | 503 | 1130.0 | 627:1504 | Type1 | Active | DFGin | 6.9036 | 13.9549 | BLAminus | -120.25, -166.43 | 59.68, 67.6 | -85.2, 11.1 | 297.73, 106.5 | -52.29, -48.72 | in-in | in | 7.5347 | Saltbr-in | 2.6962 | HRD-in | -95.53, -42.9 | 77.78, -18.98 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0418 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -101.95, 149.39 | APE9-dihe-in | -131.37, 144.36 | APE8-dihe-in | -64.58, 88.08 | APE8-rot-na | 22.1 | APE67-dihe-in | -78.01, -10.87 | -49.77, -37.43 | APE12-dist-na | 14.9545 | APE11-dist-na | 10.3094 | APE10-dist-na | 13.1197 | APE9-dist-in | 7.3589 | T315I | PTR393 | PTR393 | XRAY | 2.5 | 0.209 | 0.246 | B | 286.0 | 270.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2v7a | TYR_ABL1_HUMAN | TYR | 5.3e-100 | 339.9 | 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 | 2V7AA | P00519 | 233 | 503 | 1130.0 | 627:1504 | Type1 | Active | DFGin | 6.8938 | 14.1604 | BLAminus | -145.06, -170.76 | 64.01, 66.73 | -92.57, 17.46 | 295.88, 104.37 | -56.64, -27.12 | in-in | in | 7.7819 | Saltbr-in | 2.5187 | HRD-in | -93.72, -56.9 | 83.27, 8.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.975 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -123.69, 132.9 | APE9-dihe-in | -115.95, 155.97 | APE8-dihe-in | -67.28, 120.19 | APE8-rot-na | 16.95 | APE67-dihe-in | -81.75, -3.2 | -58.95, -43.12 | APE12-dist-na | 14.8661 | APE11-dist-na | 10.2235 | APE10-dist-na | 13.0157 | APE9-dist-in | 6.8409 | T315I | PTR393 | PTR393 | XRAY | 2.5 | 0.209 | 0.246 | A | 286.0 | 271.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2v7a | Homo sapiens | TYR_ABL1_HUMAN | TYR | 5.3e-100 | 339.9 | 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 | 2V7AB | P00519 | 234 | 503 | 1130.0 | 627:1504 | Type1 | Active | DFGin | 6.9036 | 13.9549 | BLAminus | -120.25, -166.43 | 59.68, 67.6 | -85.2, 11.1 | 297.73, 106.5 | -52.29, -48.72 | in-in | in | 7.5347 | Saltbr-in | 2.6962 | HRD-in | -95.53, -42.9 | 77.78, -18.98 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0418 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -101.95, 149.39 | APE9-dihe-in | -131.37, 144.36 | APE8-dihe-in | -64.58, 88.08 | APE8-rot-na | 22.1 | APE67-dihe-in | -78.01, -10.87 | -49.77, -37.43 | APE12-dist-na | 14.9545 | APE11-dist-na | 10.3094 | APE10-dist-na | 13.1197 | APE9-dist-in | 7.3589 | T315I | PTR393 | PTR393 | XRAY | 2.5 | 0.209 | 0.246 | B | 286.0 | 270.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2v7a | Homo sapiens | TYR_ABL1_HUMAN | TYR | 5.3e-100 | 339.9 | 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 |
|---|