| 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 | 6NPEA | P00519 | 232 | 500 | 1130.0 | STI:60603,KWD:60604 | Type2,Allosteric | Inactive | DFGout | 13.751 | 11.2768 | BBAminus | -132.09, -171.87 | -150.82, 100.43 | -86.72, -1.03 | 301.5, 131.9 | 61.32, 51.13 | in-in | in | 8.1711 | Saltbr-in | 2.7788 | HRD-in | -75.05, -56.53 | 78.97, -9.5 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.7357 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -120.77, 121.63 | APE9-dihe-in | -123.35, 140.69 | APE8-dihe-in | -84.02, 84.76 | APE8-rot-na | 23.95 | APE67-dihe-in | -76.42, -6.93 | -49.4, -44.5 | APE12-dist-na | 16.5922 | APE11-dist-na | 12.7878 | APE10-dist-na | 8.7525 | APE9-dist-in | 7.8443 | None | None | None | XRAY | 2.15 | 0.187 | 0.212 | A | 298.0 | 264.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 6npe | TYR_ABL1_HUMAN | TYR | 3.1e-100 | 340.7 | 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 | 6NPEB | P00519 | 233 | 511 | 1130.0 | STI:60603,KWD:60604 | Type2,Allosteric | Inactive | DFGout | 13.8401 | 11.1015 | BBAminus | -129.89, -169.38 | -152.66, 105.04 | -92.73, -27.9 | 303.95, 134.44 | 82.3, 999.0 | in-in | in | 8.2217 | Saltbr-in | 2.6842 | HRD-in | -80.48, -54.98 | 79.49, -7.09 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 146.9 | APE8-dihe-in | -75.88, 86.79 | APE8-rot-na | 23.52 | APE67-dihe-in | -70.62, -18.32 | -51.39, -37.96 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 7.6859 | None | None | None | XRAY | 2.15 | 0.187 | 0.212 | B | 298.0 | 256.0 | 23 | 29 | 12 | 17 | [[242, 495]] | 1.0 | 6npe | TYR_ABL1_HUMAN | TYR | 3.1e-100 | 340.7 | 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 | 6NPEA | P00519 | 232 | 500 | 1130.0 | STI:60603,KWD:60604 | Type2,Allosteric | Inactive | DFGout | 13.751 | 11.2768 | BBAminus | -132.09, -171.87 | -150.82, 100.43 | -86.72, -1.03 | 301.5, 131.9 | 61.32, 51.13 | in-in | in | 8.1711 | Saltbr-in | 2.7788 | HRD-in | -75.05, -56.53 | 78.97, -9.5 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.7357 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -120.77, 121.63 | APE9-dihe-in | -123.35, 140.69 | APE8-dihe-in | -84.02, 84.76 | APE8-rot-na | 23.95 | APE67-dihe-in | -76.42, -6.93 | -49.4, -44.5 | APE12-dist-na | 16.5922 | APE11-dist-na | 12.7878 | APE10-dist-na | 8.7525 | APE9-dist-in | 7.8443 | None | None | None | XRAY | 2.15 | 0.187 | 0.212 | A | 298.0 | 264.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 6npe | Homo sapiens | TYR_ABL1_HUMAN | TYR | 3.1e-100 | 340.7 | 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 | 6NPEB | P00519 | 233 | 511 | 1130.0 | STI:60603,KWD:60604 | Type2,Allosteric | Inactive | DFGout | 13.8401 | 11.1015 | BBAminus | -129.89, -169.38 | -152.66, 105.04 | -92.73, -27.9 | 303.95, 134.44 | 82.3, 999.0 | in-in | in | 8.2217 | Saltbr-in | 2.6842 | HRD-in | -80.48, -54.98 | 79.49, -7.09 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 146.9 | APE8-dihe-in | -75.88, 86.79 | APE8-rot-na | 23.52 | APE67-dihe-in | -70.62, -18.32 | -51.39, -37.96 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 7.6859 | None | None | None | XRAY | 2.15 | 0.187 | 0.212 | B | 298.0 | 256.0 | 23 | 29 | 12 | 17 | [[242, 495]] | 1.0 | 6npe | Homo sapiens | TYR_ABL1_HUMAN | TYR | 3.1e-100 | 340.7 | 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 |
|---|