| 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 | ALK | ALK_HUMAN | 5AA9A | Q9UM73 | 1093 | 1402 | 1620.0 | 5P8:2402 | Type1 | Inactive | DFGin | 6.1824 | 14.8906 | ABAminus | -123.86, -6.83 | -134.63, 136.55 | -132.06, 29.87 | 289.56, 85.44 | -66.04, -35.64 | in-out | in | 8.1567 | Saltbr-out | 4.5375 | HRD-in | -75.17, -44.12 | 79.72, -10.27 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.8482 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -99.37, -11.88 | APE9-dihe-in | -67.63, 135.25 | APE8-dihe-in | -76.86, 63.04 | APE8-rot-na | 30.41 | APE67-dihe-in | -70.03, -11.65 | -60.61, -27.66 | APE12-dist-na | 14.9157 | APE11-dist-na | 15.2297 | APE10-dist-na | 10.0961 | APE9-dist-out | 8.1585 | L1198F | None | None | XRAY | 1.93 | 0.201 | 0.237 | A | 327.0 | 296.0 | 14 | 30 | 24 | 6 | [[1116, 1385]] | 1.0 | 5aa9 | TYR_ALK_HUMAN | TYR | 4.4e-91 | 310.7 | 1.0 | 260.0 | 260.0 | 1269 | 1270 | 1271 | 1273 | 1275 | 1150 | 1167 | 1171 | 1246 | 1248 | 1247 | 1249.0 | 1311 | 1299 | 1294 | 1293 | 1292 | 1291 | 1290 | 1289 | 1288 | 1197 | ALK tyrosine kinase receptor |
| 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 | ALK | ALK_HUMAN | 5AA9A | Q9UM73 | 1093 | 1402 | 1620.0 | 5P8:2402 | Type1 | Inactive | DFGin | 6.1824 | 14.8906 | ABAminus | -123.86, -6.83 | -134.63, 136.55 | -132.06, 29.87 | 289.56, 85.44 | -66.04, -35.64 | in-out | in | 8.1567 | Saltbr-out | 4.5375 | HRD-in | -75.17, -44.12 | 79.72, -10.27 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.8482 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -99.37, -11.88 | APE9-dihe-in | -67.63, 135.25 | APE8-dihe-in | -76.86, 63.04 | APE8-rot-na | 30.41 | APE67-dihe-in | -70.03, -11.65 | -60.61, -27.66 | APE12-dist-na | 14.9157 | APE11-dist-na | 15.2297 | APE10-dist-na | 10.0961 | APE9-dist-out | 8.1585 | L1198F | None | None | XRAY | 1.93 | 0.201 | 0.237 | A | 327.0 | 296.0 | 14 | 30 | 24 | 6 | [[1116, 1385]] | 1.0 | 5aa9 | Homo sapiens | TYR_ALK_HUMAN | TYR | 4.4e-91 | 310.7 | 1.0 | 260.0 | 260.0 | 1269 | 1270 | 1271 | 1273 | 1275 | 1150 | 1167 | 1171 | 1246 | 1248 | 1247 | 1249.0 | 1311 | 1299 | 1294 | 1293 | 1292 | 1291 | 1290 | 1289 | 1288 | 1197 | ALK tyrosine kinase receptor |
| 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 |
|---|