| 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 | ROS1 | ROS1_HUMAN | AF-P08922-K1A | P08922 | 1937 | 2225 | 2347.0 | No_ligand | No_ligand | Active | DFGin | 6.5025 | 14.1756 | BLAminus | -131.78, -171.22 | 50.11, 77.85 | -90.9, 16.76 | 289.05, 93.86 | -58.64, -34.44 | in-in | in | 8.1277 | Saltbr-in | 2.6701 | HRD-in | -79.86, -43.16 | 65.46, -13.8 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9676 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -65.31, 130.42 | APE9-dihe-in | -125.1, 138.65 | APE8-dihe-in | -78.85, 63.38 | APE8-rot-na | 34.7 | APE67-dihe-in | -75.99, -10.64 | -43.96, -39.9 | APE12-dist-na | 14.6769 | APE11-dist-na | 10.6574 | APE10-dist-na | 10.1778 | APE9-dist-in | 6.9878 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 289.0 | 289.0 | 0 | 30 | 30 | 0 | [[1945, 2217]] | 1.0 | AF-P08922-K1 | TYR_ROS1_HUMAN | TYR | 3.7e-95 | 324.1 | 3.0 | 260.0 | 258.0 | 2101 | 2102 | 2103 | 2105 | 2107 | 1980 | 1997 | 2001 | 2076 | 2078 | 2077 | 2079.0 | 2143 | 2131 | 2126 | 2125 | 2124 | 2123 | 2122 | 2121 | 2120 | 2027 | Proto-oncogene tyrosine-protein kinase ROS |
| TYR | ROS1 | ROS1_HUMAN | AF-P08922-K3A | P08922 | 1937 | 2225 | 2347.0 | No_ligand | No_ligand | Active | DFGin | 6.533 | 13.6641 | BLAminus | -124.86, -166.98 | 52.38, 65.44 | -81.98, 13.39 | 292.42, 96.61 | -58.62, -31.96 | in-in | in | 8.18 | Saltbr-in | 2.7156 | HRD-in | -79.6, -44.14 | 64.31, -4.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8784 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -56.23, 134.03 | APE9-dihe-in | -139.58, 141.95 | APE8-dihe-in | -80.56, 61.13 | APE8-rot-na | 36.67 | APE67-dihe-in | -68.97, -13.98 | -42.55, -41.95 | APE12-dist-na | 14.6421 | APE11-dist-na | 10.885 | APE10-dist-na | 9.8454 | APE9-dist-in | 6.7643 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 289.0 | 289.0 | 0 | 30 | 30 | 0 | [[1945, 2217]] | 1.0 | AF-P08922-K3 | TYR_ROS1_HUMAN | TYR | 3.7e-95 | 324.1 | 3.0 | 260.0 | 258.0 | 2101 | 2102 | 2103 | 2105 | 2107 | 1980 | 1997 | 2001 | 2076 | 2078 | 2077 | 2079.0 | 2143 | 2131 | 2126 | 2125 | 2124 | 2123 | 2122 | 2121 | 2120 | 2027 | Proto-oncogene tyrosine-protein kinase ROS |
| 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 | ROS1 | ROS1_HUMAN | AF-P08922-K1A | P08922 | 1937 | 2225 | 2347.0 | No_ligand | No_ligand | Active | DFGin | 6.5025 | 14.1756 | BLAminus | -131.78, -171.22 | 50.11, 77.85 | -90.9, 16.76 | 289.05, 93.86 | -58.64, -34.44 | in-in | in | 8.1277 | Saltbr-in | 2.6701 | HRD-in | -79.86, -43.16 | 65.46, -13.8 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9676 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -65.31, 130.42 | APE9-dihe-in | -125.1, 138.65 | APE8-dihe-in | -78.85, 63.38 | APE8-rot-na | 34.7 | APE67-dihe-in | -75.99, -10.64 | -43.96, -39.9 | APE12-dist-na | 14.6769 | APE11-dist-na | 10.6574 | APE10-dist-na | 10.1778 | APE9-dist-in | 6.9878 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 289.0 | 289.0 | 0 | 30 | 30 | 0 | [[1945, 2217]] | 1.0 | AF-P08922-K1 | Homo sapiens | TYR_ROS1_HUMAN | TYR | 3.7e-95 | 324.1 | 3.0 | 260.0 | 258.0 | 2101 | 2102 | 2103 | 2105 | 2107 | 1980 | 1997 | 2001 | 2076 | 2078 | 2077 | 2079.0 | 2143 | 2131 | 2126 | 2125 | 2124 | 2123 | 2122 | 2121 | 2120 | 2027 | Proto-oncogene tyrosine-protein kinase ROS |
| TYR | ROS1 | ROS1_HUMAN | AF-P08922-K3A | P08922 | 1937 | 2225 | 2347.0 | No_ligand | No_ligand | Active | DFGin | 6.533 | 13.6641 | BLAminus | -124.86, -166.98 | 52.38, 65.44 | -81.98, 13.39 | 292.42, 96.61 | -58.62, -31.96 | in-in | in | 8.18 | Saltbr-in | 2.7156 | HRD-in | -79.6, -44.14 | 64.31, -4.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8784 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -56.23, 134.03 | APE9-dihe-in | -139.58, 141.95 | APE8-dihe-in | -80.56, 61.13 | APE8-rot-na | 36.67 | APE67-dihe-in | -68.97, -13.98 | -42.55, -41.95 | APE12-dist-na | 14.6421 | APE11-dist-na | 10.885 | APE10-dist-na | 9.8454 | APE9-dist-in | 6.7643 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 289.0 | 289.0 | 0 | 30 | 30 | 0 | [[1945, 2217]] | 1.0 | AF-P08922-K3 | Homo sapiens | TYR_ROS1_HUMAN | TYR | 3.7e-95 | 324.1 | 3.0 | 260.0 | 258.0 | 2101 | 2102 | 2103 | 2105 | 2107 | 1980 | 1997 | 2001 | 2076 | 2078 | 2077 | 2079.0 | 2143 | 2131 | 2126 | 2125 | 2124 | 2123 | 2122 | 2121 | 2120 | 2027 | Proto-oncogene tyrosine-protein kinase ROS |
| 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 |
|---|