| 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 | JAK1-2 | JAK1_HUMAN | 4I5CA | P23458 | 865 | 1154 | 1154.0 | C5I:61201 | Type1 | Inactive | DFGin | 6.372 | 13.0985 | ABAminus | -114.74, 13.12 | -159.95, 138.51 | -132.46, 27.57 | 300.19, 86.09 | -57.95, -29.46 | in-in | in | 7.6484 | Saltbr-in | 2.6628 | HRD-in | -72.51, -44.79 | 66.5, 0.54 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.903 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -124.02, 33.91 | APE9-dihe-in | -66.46, 131.24 | APE8-dihe-in | -75.55, 75.28 | APE8-rot-na | 31.15 | APE67-dihe-in | -75.41, -9.49 | -50.0, -34.68 | APE12-dist-na | 11.2602 | APE11-dist-na | 13.3407 | APE10-dist-na | 10.1945 | APE9-dist-in | 6.774 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.1 | 0.193 | 0.245 | A | 302.0 | 281.0 | 9 | 31 | 30 | 1 | [[583, 847], [875, 1151]] | 2.0 | 4i5c | TYR_JAK1-2_HUMAN | TYR | 2.2e-87 | 298.6 | 2.0 | 259.0 | 258.0 | 1020 | 1021 | 1022 | 1024 | 1026 | 908 | 925 | 929 | 1000 | 1002 | 1001 | 1003.0 | 1063 | 1051 | 1046 | 1045 | 1044 | 1043 | 1042 | 1041 | 1040 | 957 | Tyrosine-protein kinase JAK1 |
| TYR | JAK1-2 | JAK1_HUMAN | 4I5CB | P23458 | 854 | 1154 | 1154.0 | C5I:61205 | Type1 | Inactive | DFGin | 6.2884 | 13.0623 | ABAminus | -117.66, 20.22 | -158.68, 137.22 | -131.37, 22.03 | 299.16, 87.56 | -52.78, -31.38 | in-in | in | 7.784 | Saltbr-in | 2.5861 | HRD-in | -74.37, -52.31 | 71.43, 0.95 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9476 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -101.41, 21.23 | APE9-dihe-in | -58.7, 133.33 | APE8-dihe-in | -78.45, 70.87 | APE8-rot-na | 28.87 | APE67-dihe-in | -73.75, -3.17 | -47.7, -37.18 | APE12-dist-na | 11.1462 | APE11-dist-na | 13.1938 | APE10-dist-na | 10.0316 | APE9-dist-in | 6.8402 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.1 | 0.193 | 0.245 | B | 302.0 | 292.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4i5c | TYR_JAK1-2_HUMAN | TYR | 2.2e-87 | 298.6 | 2.0 | 259.0 | 258.0 | 1020 | 1021 | 1022 | 1024 | 1026 | 908 | 925 | 929 | 1000 | 1002 | 1001 | 1003.0 | 1063 | 1051 | 1046 | 1045 | 1044 | 1043 | 1042 | 1041 | 1040 | 957 | 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 | JAK1-2 | JAK1_HUMAN | 4I5CA | P23458 | 865 | 1154 | 1154.0 | C5I:61201 | Type1 | Inactive | DFGin | 6.372 | 13.0985 | ABAminus | -114.74, 13.12 | -159.95, 138.51 | -132.46, 27.57 | 300.19, 86.09 | -57.95, -29.46 | in-in | in | 7.6484 | Saltbr-in | 2.6628 | HRD-in | -72.51, -44.79 | 66.5, 0.54 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.903 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -124.02, 33.91 | APE9-dihe-in | -66.46, 131.24 | APE8-dihe-in | -75.55, 75.28 | APE8-rot-na | 31.15 | APE67-dihe-in | -75.41, -9.49 | -50.0, -34.68 | APE12-dist-na | 11.2602 | APE11-dist-na | 13.3407 | APE10-dist-na | 10.1945 | APE9-dist-in | 6.774 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.1 | 0.193 | 0.245 | A | 302.0 | 281.0 | 9 | 31 | 30 | 1 | [[583, 847], [875, 1151]] | 2.0 | 4i5c | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 2.2e-87 | 298.6 | 2.0 | 259.0 | 258.0 | 1020 | 1021 | 1022 | 1024 | 1026 | 908 | 925 | 929 | 1000 | 1002 | 1001 | 1003.0 | 1063 | 1051 | 1046 | 1045 | 1044 | 1043 | 1042 | 1041 | 1040 | 957 | Tyrosine-protein kinase JAK1 |
| TYR | JAK1-2 | JAK1_HUMAN | 4I5CB | P23458 | 854 | 1154 | 1154.0 | C5I:61205 | Type1 | Inactive | DFGin | 6.2884 | 13.0623 | ABAminus | -117.66, 20.22 | -158.68, 137.22 | -131.37, 22.03 | 299.16, 87.56 | -52.78, -31.38 | in-in | in | 7.784 | Saltbr-in | 2.5861 | HRD-in | -74.37, -52.31 | 71.43, 0.95 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9476 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -101.41, 21.23 | APE9-dihe-in | -58.7, 133.33 | APE8-dihe-in | -78.45, 70.87 | APE8-rot-na | 28.87 | APE67-dihe-in | -73.75, -3.17 | -47.7, -37.18 | APE12-dist-na | 11.1462 | APE11-dist-na | 13.1938 | APE10-dist-na | 10.0316 | APE9-dist-in | 6.8402 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.1 | 0.193 | 0.245 | B | 302.0 | 292.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4i5c | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 2.2e-87 | 298.6 | 2.0 | 259.0 | 258.0 | 1020 | 1021 | 1022 | 1024 | 1026 | 908 | 925 | 929 | 1000 | 1002 | 1001 | 1003.0 | 1063 | 1051 | 1046 | 1045 | 1044 | 1043 | 1042 | 1041 | 1040 | 957 | 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 |
|---|