| 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 | 2HIWA | P00519 | 230 | 499 | 1130.0 | 7MP:60531 | Type2 | Inactive | DFGout | 13.3473 | 10.8265 | BBAminus | -142.71, -168.33 | -158.01, 107.74 | -97.35, 2.37 | 312.36, 126.58 | 65.32, 50.81 | in-out | in | 8.2289 | Saltbr-out | 3.7404 | HRD-in | -73.86, -48.39 | 84.66, -24.64 | out-out-in | SNCooi | out-in | ActLoopNT-out | 15.6369 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -104.28, 130.36 | APE9-dihe-in | -115.68, 135.96 | APE8-dihe-in | -85.15, 68.17 | APE8-rot-na | 24.2 | APE67-dihe-in | -72.17, -12.42 | -32.25, -48.66 | APE12-dist-na | 13.5733 | APE11-dist-na | 12.4749 | APE10-dist-na | 8.1904 | APE9-dist-in | 7.7237 | None | None | None | XRAY | 2.2 | 0.246 | 0.309 | A | 287.0 | 270.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2hiw | TYR_ABL1_HUMAN | TYR | 2.7e-100 | 340.9 | 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 | 2HIWB | P00519 | 230 | 499 | 1130.0 | 7MP:60531 | Type2 | Inactive | DFGout | 13.0877 | 11.2071 | BBAminus | -144.46, -168.71 | -161.12, 102.71 | -97.39, 4.98 | 318.67, 117.06 | 56.31, 54.08 | in-in | in | 8.0153 | Saltbr-in | 2.7868 | HRD-in | -67.44, -50.02 | 79.19, -15.91 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.9652 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -73.79, 117.59 | APE9-dihe-in | -110.67, 133.98 | APE8-dihe-in | -80.14, 91.72 | APE8-rot-na | 27.82 | APE67-dihe-in | -76.13, -9.39 | -64.08, -40.93 | APE12-dist-na | 14.6952 | APE11-dist-na | 12.5191 | APE10-dist-na | 8.4947 | APE9-dist-in | 7.6721 | None | None | None | XRAY | 2.2 | 0.246 | 0.309 | B | 287.0 | 270.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2hiw | TYR_ABL1_HUMAN | TYR | 2.7e-100 | 340.9 | 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 | 2HIWA | P00519 | 230 | 499 | 1130.0 | 7MP:60531 | Type2 | Inactive | DFGout | 13.3473 | 10.8265 | BBAminus | -142.71, -168.33 | -158.01, 107.74 | -97.35, 2.37 | 312.36, 126.58 | 65.32, 50.81 | in-out | in | 8.2289 | Saltbr-out | 3.7404 | HRD-in | -73.86, -48.39 | 84.66, -24.64 | out-out-in | SNCooi | out-in | ActLoopNT-out | 15.6369 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -104.28, 130.36 | APE9-dihe-in | -115.68, 135.96 | APE8-dihe-in | -85.15, 68.17 | APE8-rot-na | 24.2 | APE67-dihe-in | -72.17, -12.42 | -32.25, -48.66 | APE12-dist-na | 13.5733 | APE11-dist-na | 12.4749 | APE10-dist-na | 8.1904 | APE9-dist-in | 7.7237 | None | None | None | XRAY | 2.2 | 0.246 | 0.309 | A | 287.0 | 270.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2hiw | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.7e-100 | 340.9 | 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 | 2HIWB | P00519 | 230 | 499 | 1130.0 | 7MP:60531 | Type2 | Inactive | DFGout | 13.0877 | 11.2071 | BBAminus | -144.46, -168.71 | -161.12, 102.71 | -97.39, 4.98 | 318.67, 117.06 | 56.31, 54.08 | in-in | in | 8.0153 | Saltbr-in | 2.7868 | HRD-in | -67.44, -50.02 | 79.19, -15.91 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.9652 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -73.79, 117.59 | APE9-dihe-in | -110.67, 133.98 | APE8-dihe-in | -80.14, 91.72 | APE8-rot-na | 27.82 | APE67-dihe-in | -76.13, -9.39 | -64.08, -40.93 | APE12-dist-na | 14.6952 | APE11-dist-na | 12.5191 | APE10-dist-na | 8.4947 | APE9-dist-in | 7.6721 | None | None | None | XRAY | 2.2 | 0.246 | 0.309 | B | 287.0 | 270.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2hiw | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.7e-100 | 340.9 | 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 |
|---|