| 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 | 5KHWA | P23458 | 867 | 1153 | 1154.0 | ADP:1201 | ATPlike | Inactive | DFGin | 6.2929 | 13.5952 | ABAminus | -113.62, -36.19 | -113.51, 112.49 | -104.48, 28.51 | 302.05, 98.46 | -68.45, -35.55 | in-in | in | 8.0172 | Saltbr-in | 2.8107 | HRD-in | -53.69, -54.55 | 74.32, 4.71 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8167 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -70.25, 151.86 | APE9-dihe-in | -139.19, 145.92 | APE8-dihe-in | -78.07, 75.73 | APE8-rot-na | 29.65 | APE67-dihe-in | -77.72, -3.4 | -55.44, -31.5 | APE12-dist-na | 13.0141 | APE11-dist-na | 7.3323 | APE10-dist-na | 9.9045 | APE9-dist-in | 6.0223 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.47 | 0.188 | 0.231 | A | 316.0 | 278.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 5khw | TYR_JAK1-2_HUMAN | TYR | 2.6e-87 | 298.4 | 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 | 5KHWB | P23458 | 867 | 1153 | 1154.0 | ADP:1201 | ATPlike | Inactive | DFGin | 6.1878 | 13.7874 | BLAminus | -126.62, -174.05 | 50.66, 92.23 | -105.71, 28.99 | 301.42, 97.18 | -62.73, -33.32 | in-in | in | 7.9908 | Saltbr-in | 2.817 | HRD-in | -54.38, -55.02 | 75.74, 4.0 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8112 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -83.14, 18.97 | APE9-dihe-in | -58.32, 113.18 | APE8-dihe-in | -82.04, 77.86 | APE8-rot-na | 28.29 | APE67-dihe-in | -76.85, -3.42 | -56.14, -32.61 | APE12-dist-na | 7.879 | APE11-dist-na | 9.6953 | APE10-dist-na | 6.6047 | APE9-dist-in | 5.9119 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.47 | 0.188 | 0.231 | B | 316.0 | 278.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 5khw | TYR_JAK1-2_HUMAN | TYR | 2.6e-87 | 298.4 | 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 | 5KHWA | P23458 | 867 | 1153 | 1154.0 | ADP:1201 | ATPlike | Inactive | DFGin | 6.2929 | 13.5952 | ABAminus | -113.62, -36.19 | -113.51, 112.49 | -104.48, 28.51 | 302.05, 98.46 | -68.45, -35.55 | in-in | in | 8.0172 | Saltbr-in | 2.8107 | HRD-in | -53.69, -54.55 | 74.32, 4.71 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8167 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -70.25, 151.86 | APE9-dihe-in | -139.19, 145.92 | APE8-dihe-in | -78.07, 75.73 | APE8-rot-na | 29.65 | APE67-dihe-in | -77.72, -3.4 | -55.44, -31.5 | APE12-dist-na | 13.0141 | APE11-dist-na | 7.3323 | APE10-dist-na | 9.9045 | APE9-dist-in | 6.0223 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.47 | 0.188 | 0.231 | A | 316.0 | 278.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 5khw | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 2.6e-87 | 298.4 | 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 | 5KHWB | P23458 | 867 | 1153 | 1154.0 | ADP:1201 | ATPlike | Inactive | DFGin | 6.1878 | 13.7874 | BLAminus | -126.62, -174.05 | 50.66, 92.23 | -105.71, 28.99 | 301.42, 97.18 | -62.73, -33.32 | in-in | in | 7.9908 | Saltbr-in | 2.817 | HRD-in | -54.38, -55.02 | 75.74, 4.0 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8112 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -83.14, 18.97 | APE9-dihe-in | -58.32, 113.18 | APE8-dihe-in | -82.04, 77.86 | APE8-rot-na | 28.29 | APE67-dihe-in | -76.85, -3.42 | -56.14, -32.61 | APE12-dist-na | 7.879 | APE11-dist-na | 9.6953 | APE10-dist-na | 6.6047 | APE9-dist-in | 5.9119 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.47 | 0.188 | 0.231 | B | 316.0 | 278.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 5khw | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 2.6e-87 | 298.4 | 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 |
|---|