| 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 | 2G1TA | P00519 | 232 | 502 | 1130.0 | No_ligand | No_ligand | Inactive | DFGin | 5.4891 | 13.3586 | BLBplus | -129.52, 174.85 | 49.7, 38.76 | -72.97, 132.27 | 38.5, 86.98 | 68.27, 5.02 | out-out | out | 14.3939 | Saltbr-out | 14.4469 | HRD-in | -72.65, -55.09 | 74.07, -6.35 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3326 | ActLoopCT-out | TYR | APEdihe_iiiai | APEdist_aaao | APE10-dihe-in | -93.21, 127.41 | APE9-dihe-in | -142.61, 161.69 | APE8-dihe-in | -90.21, 73.8 | APE8-rot-na | 25.96 | APE67-dihe-in | -72.87, -5.55 | -36.53, -50.03 | APE12-dist-na | 21.6951 | APE11-dist-na | 17.1266 | APE10-dist-na | 15.5012 | APE9-dist-out | 8.5033 | None | None | None | XRAY | 1.8 | 0.221 | 0.244 | A | 287.0 | 271.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g1t | 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 | 2G1TB | P00519 | 230 | 502 | 1130.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6127 | 13.4611 | BLBplus | -123.19, 174.0 | 52.07, 35.11 | -71.07, 127.0 | 40.58, 89.58 | 70.82, 9.16 | out-out | out | 14.5021 | Saltbr-out | 14.4083 | HRD-in | -70.85, -56.38 | 81.24, -19.54 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.337 | ActLoopCT-out | TYR | APEdihe_iiiai | APEdist_aaao | APE10-dihe-in | -95.93, 136.77 | APE9-dihe-in | -145.05, 161.95 | APE8-dihe-in | -89.74, 74.17 | APE8-rot-na | 33.06 | APE67-dihe-in | -70.55, -3.76 | -28.93, -56.54 | APE12-dist-na | 21.3693 | APE11-dist-na | 16.8667 | APE10-dist-na | 15.5262 | APE9-dist-out | 8.2708 | None | None | None | XRAY | 1.8 | 0.221 | 0.244 | B | 287.0 | 273.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g1t | 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 | 2G1TC | P00519 | 232 | 507 | 1130.0 | No_ligand | No_ligand | Inactive | DFGin | 5.3943 | 13.548 | BLBplus | -120.72, 170.38 | 50.85, 37.0 | -72.09, 126.35 | 41.53, 90.26 | 72.34, 10.44 | out-out | out | 14.6649 | Saltbr-out | 14.686 | HRD-in | -71.51, -57.81 | 80.53, -13.86 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3984 | ActLoopCT-out | TYR | APEdihe_iiiai | APEdist_aaao | APE10-dihe-in | -104.53, 132.88 | APE9-dihe-in | -148.89, 164.58 | APE8-dihe-in | -86.44, 74.64 | APE8-rot-na | 29.85 | APE67-dihe-in | -67.97, -5.39 | -28.15, -57.51 | APE12-dist-na | 21.3549 | APE11-dist-na | 16.8935 | APE10-dist-na | 15.4689 | APE9-dist-out | 8.1812 | None | None | None | XRAY | 1.8 | 0.221 | 0.244 | C | 287.0 | 276.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g1t | 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 | 2G1TD | P00519 | 229 | 502 | 1130.0 | No_ligand | No_ligand | Inactive | DFGin | 5.7239 | 13.4907 | BLBplus | -127.26, 170.73 | 53.33, 36.32 | -70.41, 128.95 | 38.1, 89.88 | 67.15, 13.72 | out-out | out | 14.7586 | Saltbr-out | 14.4787 | HRD-in | -69.96, -57.67 | 85.75, -24.63 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3361 | ActLoopCT-out | TYR | APEdihe_iiiai | APEdist_aaao | APE10-dihe-in | -95.18, 134.49 | APE9-dihe-in | -146.03, 159.07 | APE8-dihe-in | -86.2, 75.17 | APE8-rot-na | 27.48 | APE67-dihe-in | -64.32, -8.55 | -32.05, -58.59 | APE12-dist-na | 20.9384 | APE11-dist-na | 16.4692 | APE10-dist-na | 15.4232 | APE9-dist-out | 8.5207 | None | None | None | XRAY | 1.8 | 0.221 | 0.244 | D | 287.0 | 274.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g1t | 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 | 2G1TA | P00519 | 232 | 502 | 1130.0 | No_ligand | No_ligand | Inactive | DFGin | 5.4891 | 13.3586 | BLBplus | -129.52, 174.85 | 49.7, 38.76 | -72.97, 132.27 | 38.5, 86.98 | 68.27, 5.02 | out-out | out | 14.3939 | Saltbr-out | 14.4469 | HRD-in | -72.65, -55.09 | 74.07, -6.35 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3326 | ActLoopCT-out | TYR | APEdihe_iiiai | APEdist_aaao | APE10-dihe-in | -93.21, 127.41 | APE9-dihe-in | -142.61, 161.69 | APE8-dihe-in | -90.21, 73.8 | APE8-rot-na | 25.96 | APE67-dihe-in | -72.87, -5.55 | -36.53, -50.03 | APE12-dist-na | 21.6951 | APE11-dist-na | 17.1266 | APE10-dist-na | 15.5012 | APE9-dist-out | 8.5033 | None | None | None | XRAY | 1.8 | 0.221 | 0.244 | A | 287.0 | 271.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g1t | 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 | 2G1TB | P00519 | 230 | 502 | 1130.0 | No_ligand | No_ligand | Inactive | DFGin | 5.6127 | 13.4611 | BLBplus | -123.19, 174.0 | 52.07, 35.11 | -71.07, 127.0 | 40.58, 89.58 | 70.82, 9.16 | out-out | out | 14.5021 | Saltbr-out | 14.4083 | HRD-in | -70.85, -56.38 | 81.24, -19.54 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.337 | ActLoopCT-out | TYR | APEdihe_iiiai | APEdist_aaao | APE10-dihe-in | -95.93, 136.77 | APE9-dihe-in | -145.05, 161.95 | APE8-dihe-in | -89.74, 74.17 | APE8-rot-na | 33.06 | APE67-dihe-in | -70.55, -3.76 | -28.93, -56.54 | APE12-dist-na | 21.3693 | APE11-dist-na | 16.8667 | APE10-dist-na | 15.5262 | APE9-dist-out | 8.2708 | None | None | None | XRAY | 1.8 | 0.221 | 0.244 | B | 287.0 | 273.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g1t | 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 | 2G1TC | P00519 | 232 | 507 | 1130.0 | No_ligand | No_ligand | Inactive | DFGin | 5.3943 | 13.548 | BLBplus | -120.72, 170.38 | 50.85, 37.0 | -72.09, 126.35 | 41.53, 90.26 | 72.34, 10.44 | out-out | out | 14.6649 | Saltbr-out | 14.686 | HRD-in | -71.51, -57.81 | 80.53, -13.86 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3984 | ActLoopCT-out | TYR | APEdihe_iiiai | APEdist_aaao | APE10-dihe-in | -104.53, 132.88 | APE9-dihe-in | -148.89, 164.58 | APE8-dihe-in | -86.44, 74.64 | APE8-rot-na | 29.85 | APE67-dihe-in | -67.97, -5.39 | -28.15, -57.51 | APE12-dist-na | 21.3549 | APE11-dist-na | 16.8935 | APE10-dist-na | 15.4689 | APE9-dist-out | 8.1812 | None | None | None | XRAY | 1.8 | 0.221 | 0.244 | C | 287.0 | 276.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g1t | 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 | 2G1TD | P00519 | 229 | 502 | 1130.0 | No_ligand | No_ligand | Inactive | DFGin | 5.7239 | 13.4907 | BLBplus | -127.26, 170.73 | 53.33, 36.32 | -70.41, 128.95 | 38.1, 89.88 | 67.15, 13.72 | out-out | out | 14.7586 | Saltbr-out | 14.4787 | HRD-in | -69.96, -57.67 | 85.75, -24.63 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3361 | ActLoopCT-out | TYR | APEdihe_iiiai | APEdist_aaao | APE10-dihe-in | -95.18, 134.49 | APE9-dihe-in | -146.03, 159.07 | APE8-dihe-in | -86.2, 75.17 | APE8-rot-na | 27.48 | APE67-dihe-in | -64.32, -8.55 | -32.05, -58.59 | APE12-dist-na | 20.9384 | APE11-dist-na | 16.4692 | APE10-dist-na | 15.4232 | APE9-dist-out | 8.5207 | None | None | None | XRAY | 1.8 | 0.221 | 0.244 | D | 287.0 | 274.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g1t | 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 |
|---|