| 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 | 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 |
|---|
| 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_MOUSE | 3IK3A | P00520 | 229 | 513 | 1123.0 | 0LI:60001 | Type2 | Inactive | DFGout | 13.5039 | 9.4383 | BBAminus | -139.29, -179.88 | -153.49, 108.65 | -85.72, -9.94 | 290.6, 95.91 | 72.02, 48.56 | in-in | in | 7.934 | Saltbr-in | 2.5375 | HRD-in | -70.15, -60.9 | 90.87, -12.1 | in-none-in | SNCini | none-in | ActLoopNT-none | 999.0 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -111.42, 120.77 | APE9-dihe-in | -114.74, 139.96 | APE8-dihe-in | -82.31, 89.85 | APE8-rot-na | 32.91 | APE67-dihe-in | -77.22, -7.68 | -48.36, -44.8 | APE12-dist-na | 16.0102 | APE11-dist-na | 11.8397 | APE10-dist-na | 8.4563 | APE9-dist-in | 7.993 | T315I | None | None | XRAY | 1.9 | 0.216 | 0.258 | A | 288.0 | 279.0 | 6 | 29 | 23 | 6 | [[242, 495]] | 1.0 | 3ik3 | Mus musculus | TYR_ABL1_MOUSE | TYR | 5.5e-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_MOUSE | 3IK3B | P00520 | 229 | 513 | 1123.0 | 0LI:60002 | Type2 | Inactive | DFGout | 13.4975 | 9.1697 | BBAminus | -129.46, 178.53 | -148.47, 114.27 | -91.94, -7.12 | 286.37, 101.01 | 64.82, 50.27 | in-in | in | 7.9919 | Saltbr-in | 2.6552 | HRD-in | -76.51, -54.44 | 85.69, -10.99 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.7027 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -129.88, 123.97 | APE9-dihe-in | -117.43, 141.07 | APE8-dihe-in | -76.99, 85.79 | APE8-rot-na | 29.46 | APE67-dihe-in | -85.08, -5.45 | -41.61, -41.71 | APE12-dist-na | 15.8259 | APE11-dist-na | 11.5962 | APE10-dist-na | 8.603 | APE9-dist-in | 7.8512 | T315I | None | None | XRAY | 1.9 | 0.216 | 0.258 | B | 288.0 | 285.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 3ik3 | Mus musculus | TYR_ABL1_MOUSE | TYR | 5.5e-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_MOUSE | 3IK3A | P00520 | 229 | 513 | 1123.0 | 0LI:60001 | Type2 | Inactive | DFGout | 13.5039 | 9.4383 | BBAminus | -139.29, -179.88 | -153.49, 108.65 | -85.72, -9.94 | 290.6, 95.91 | 72.02, 48.56 | in-in | in | 7.934 | Saltbr-in | 2.5375 | HRD-in | -70.15, -60.9 | 90.87, -12.1 | in-none-in | SNCini | none-in | ActLoopNT-none | 999.0 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -111.42, 120.77 | APE9-dihe-in | -114.74, 139.96 | APE8-dihe-in | -82.31, 89.85 | APE8-rot-na | 32.91 | APE67-dihe-in | -77.22, -7.68 | -48.36, -44.8 | APE12-dist-na | 16.0102 | APE11-dist-na | 11.8397 | APE10-dist-na | 8.4563 | APE9-dist-in | 7.993 | T315I | None | None | XRAY | 1.9 | 0.216 | 0.258 | A | 288.0 | 279.0 | 6 | 29 | 23 | 6 | [[242, 495]] | 1.0 | 3ik3 | Mus musculus | TYR_ABL1_MOUSE | TYR | 5.5e-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_MOUSE | 3IK3B | P00520 | 229 | 513 | 1123.0 | 0LI:60002 | Type2 | Inactive | DFGout | 13.4975 | 9.1697 | BBAminus | -129.46, 178.53 | -148.47, 114.27 | -91.94, -7.12 | 286.37, 101.01 | 64.82, 50.27 | in-in | in | 7.9919 | Saltbr-in | 2.6552 | HRD-in | -76.51, -54.44 | 85.69, -10.99 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.7027 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -129.88, 123.97 | APE9-dihe-in | -117.43, 141.07 | APE8-dihe-in | -76.99, 85.79 | APE8-rot-na | 29.46 | APE67-dihe-in | -85.08, -5.45 | -41.61, -41.71 | APE12-dist-na | 15.8259 | APE11-dist-na | 11.5962 | APE10-dist-na | 8.603 | APE9-dist-in | 7.8512 | T315I | None | None | XRAY | 1.9 | 0.216 | 0.258 | B | 288.0 | 285.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 3ik3 | Mus musculus | TYR_ABL1_MOUSE | TYR | 5.5e-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 |