| 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 | JAK1-1 | JAK1_HUMAN | 4L01A | P23458 | 565 | 850 | 1154.0 | No_ligand | No_ligand | Pseudo | DFGin | 6.7918 | 12.0795 | None | -73.75, -179.09 | -73.9, 162.14 | -73.89, -15.61 | 344.71, 28.42 | 67.96, -153.13 | in-na | in | 9.5433 | Saltbr-na | 999.0 | HRD-in | -87.9, -71.89 | 94.16, -0.24 | na-out-out | SNCaoo | out-out | ActLoopNT-out | 7.9539 | ActLoopCT-out | TYR | APEdihe_oooao | APEdist_aaao | APE10-dihe-out | -59.86, -39.57 | APE9-dihe-out | -58.05, -29.58 | APE8-dihe-out | -81.67, -7.08 | APE8-rot-na | 199.85 | APE67-dihe-out | -101.51, 19.28 | -61.73, 134.72 | APE12-dist-na | 9.3413 | APE11-dist-na | 11.7555 | APE10-dist-na | 15.957 | APE9-dist-out | 11.1256 | V658F | None | None | XRAY | 1.9 | 0.204 | 0.233 | A | 304.0 | 274.0 | 12 | 24 | 24 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4l01 | TYR_JAK1-1_HUMAN | TYR | 9.9e-61 | 211.3 | 2.0 | 260.0 | 259.0 | 738 | 739 | 740 | 742 | 744 | 622 | 638 | 642 | 711 | 713 | 712 | 714.0 | 775 | 762 | 757 | 756 | 755 | 754 | 753 | 752 | 751 | 668 | Tyrosine-protein kinase JAK1 |
| TYR | JAK1-1 | JAK1_HUMAN | 4L01B | P23458 | 565 | 849 | 1154.0 | No_ligand | No_ligand | Pseudo | DFGin | 6.8232 | 11.8723 | None | -76.74, -176.42 | -72.49, 166.45 | -77.53, -11.38 | 359.0, 15.1 | 69.24, -153.25 | in-na | in | 8.8926 | Saltbr-na | 999.0 | HRD-in | -86.59, -73.54 | 93.9, -0.47 | na-out-out | SNCaoo | out-out | ActLoopNT-out | 8.016 | ActLoopCT-out | TYR | APEdihe_oooao | APEdist_aaao | APE10-dihe-out | -57.69, -39.64 | APE9-dihe-out | -57.55, -28.87 | APE8-dihe-out | -85.94, -3.15 | APE8-rot-na | 200.27 | APE67-dihe-out | -99.61, 21.88 | -63.69, 136.29 | APE12-dist-na | 9.2987 | APE11-dist-na | 11.6951 | APE10-dist-na | 15.8459 | APE9-dist-out | 11.03 | V658F | None | None | XRAY | 1.9 | 0.204 | 0.233 | B | 304.0 | 274.0 | 11 | 24 | 24 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4l01 | TYR_JAK1-1_HUMAN | TYR | 9.9e-61 | 211.3 | 2.0 | 260.0 | 259.0 | 738 | 739 | 740 | 742 | 744 | 622 | 638 | 642 | 711 | 713 | 712 | 714.0 | 775 | 762 | 757 | 756 | 755 | 754 | 753 | 752 | 751 | 668 | Tyrosine-protein kinase JAK1 |
| 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 | JAK1-1 | JAK1_HUMAN | 4L01A | P23458 | 565 | 850 | 1154.0 | No_ligand | No_ligand | Pseudo | DFGin | 6.7918 | 12.0795 | None | -73.75, -179.09 | -73.9, 162.14 | -73.89, -15.61 | 344.71, 28.42 | 67.96, -153.13 | in-na | in | 9.5433 | Saltbr-na | 999.0 | HRD-in | -87.9, -71.89 | 94.16, -0.24 | na-out-out | SNCaoo | out-out | ActLoopNT-out | 7.9539 | ActLoopCT-out | TYR | APEdihe_oooao | APEdist_aaao | APE10-dihe-out | -59.86, -39.57 | APE9-dihe-out | -58.05, -29.58 | APE8-dihe-out | -81.67, -7.08 | APE8-rot-na | 199.85 | APE67-dihe-out | -101.51, 19.28 | -61.73, 134.72 | APE12-dist-na | 9.3413 | APE11-dist-na | 11.7555 | APE10-dist-na | 15.957 | APE9-dist-out | 11.1256 | V658F | None | None | XRAY | 1.9 | 0.204 | 0.233 | A | 304.0 | 274.0 | 12 | 24 | 24 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4l01 | Homo sapiens | TYR_JAK1-1_HUMAN | TYR | 9.9e-61 | 211.3 | 2.0 | 260.0 | 259.0 | 738 | 739 | 740 | 742 | 744 | 622 | 638 | 642 | 711 | 713 | 712 | 714.0 | 775 | 762 | 757 | 756 | 755 | 754 | 753 | 752 | 751 | 668 | Tyrosine-protein kinase JAK1 |
| TYR | JAK1-1 | JAK1_HUMAN | 4L01B | P23458 | 565 | 849 | 1154.0 | No_ligand | No_ligand | Pseudo | DFGin | 6.8232 | 11.8723 | None | -76.74, -176.42 | -72.49, 166.45 | -77.53, -11.38 | 359.0, 15.1 | 69.24, -153.25 | in-na | in | 8.8926 | Saltbr-na | 999.0 | HRD-in | -86.59, -73.54 | 93.9, -0.47 | na-out-out | SNCaoo | out-out | ActLoopNT-out | 8.016 | ActLoopCT-out | TYR | APEdihe_oooao | APEdist_aaao | APE10-dihe-out | -57.69, -39.64 | APE9-dihe-out | -57.55, -28.87 | APE8-dihe-out | -85.94, -3.15 | APE8-rot-na | 200.27 | APE67-dihe-out | -99.61, 21.88 | -63.69, 136.29 | APE12-dist-na | 9.2987 | APE11-dist-na | 11.6951 | APE10-dist-na | 15.8459 | APE9-dist-out | 11.03 | V658F | None | None | XRAY | 1.9 | 0.204 | 0.233 | B | 304.0 | 274.0 | 11 | 24 | 24 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4l01 | Homo sapiens | TYR_JAK1-1_HUMAN | TYR | 9.9e-61 | 211.3 | 2.0 | 260.0 | 259.0 | 738 | 739 | 740 | 742 | 744 | 622 | 638 | 642 | 711 | 713 | 712 | 714.0 | 775 | 762 | 757 | 756 | 755 | 754 | 753 | 752 | 751 | 668 | Tyrosine-protein kinase JAK1 |
| 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 |
|---|