| 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 | 4IVCA | P23458 | 854 | 1154 | 1154.0 | 1J6:61201 | Type1 | Inactive | DFGin | 6.2486 | 13.2512 | ABAminus | -114.51, 9.81 | -157.21, 145.73 | -138.3, 37.36 | 304.45, 81.48 | -64.22, -30.51 | in-in | in | 7.8262 | Saltbr-in | 2.6917 | HRD-in | -91.76, -42.16 | 67.22, -0.09 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8419 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -111.76, 45.97 | APE9-dihe-in | -72.9, 142.32 | APE8-dihe-in | -77.97, 76.61 | APE8-rot-na | 30.79 | APE67-dihe-in | -73.52, -3.32 | -54.87, -39.45 | APE12-dist-na | 11.1918 | APE11-dist-na | 12.6517 | APE10-dist-na | 10.1709 | APE9-dist-in | 6.5489 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.35 | 0.2 | 0.263 | A | 302.0 | 292.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ivc | 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 | 4IVCB | P23458 | 865 | 1154 | 1154.0 | 1J6:61201 | Type1 | Inactive | DFGin | 6.3131 | 13.3466 | ABAminus | -119.67, 6.43 | -149.04, 145.44 | -134.49, 29.55 | 297.17, 82.22 | -60.5, -32.79 | in-in | in | 7.5246 | Saltbr-in | 2.2767 | HRD-in | -89.31, -45.09 | 71.21, 3.65 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7171 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -101.71, 20.54 | APE9-dihe-in | -65.21, 135.06 | APE8-dihe-in | -79.05, 83.59 | APE8-rot-na | 28.99 | APE67-dihe-in | -78.13, -7.38 | -62.67, -27.87 | APE12-dist-na | 11.123 | APE11-dist-na | 12.804 | APE10-dist-na | 9.574 | APE9-dist-in | 6.6074 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.35 | 0.2 | 0.263 | B | 302.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ivc | 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 | 4IVCA | P23458 | 854 | 1154 | 1154.0 | 1J6:61201 | Type1 | Inactive | DFGin | 6.2486 | 13.2512 | ABAminus | -114.51, 9.81 | -157.21, 145.73 | -138.3, 37.36 | 304.45, 81.48 | -64.22, -30.51 | in-in | in | 7.8262 | Saltbr-in | 2.6917 | HRD-in | -91.76, -42.16 | 67.22, -0.09 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8419 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -111.76, 45.97 | APE9-dihe-in | -72.9, 142.32 | APE8-dihe-in | -77.97, 76.61 | APE8-rot-na | 30.79 | APE67-dihe-in | -73.52, -3.32 | -54.87, -39.45 | APE12-dist-na | 11.1918 | APE11-dist-na | 12.6517 | APE10-dist-na | 10.1709 | APE9-dist-in | 6.5489 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.35 | 0.2 | 0.263 | A | 302.0 | 292.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ivc | 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 | 4IVCB | P23458 | 865 | 1154 | 1154.0 | 1J6:61201 | Type1 | Inactive | DFGin | 6.3131 | 13.3466 | ABAminus | -119.67, 6.43 | -149.04, 145.44 | -134.49, 29.55 | 297.17, 82.22 | -60.5, -32.79 | in-in | in | 7.5246 | Saltbr-in | 2.2767 | HRD-in | -89.31, -45.09 | 71.21, 3.65 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7171 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -101.71, 20.54 | APE9-dihe-in | -65.21, 135.06 | APE8-dihe-in | -79.05, 83.59 | APE8-rot-na | 28.99 | APE67-dihe-in | -78.13, -7.38 | -62.67, -27.87 | APE12-dist-na | 11.123 | APE11-dist-na | 12.804 | APE10-dist-na | 9.574 | APE9-dist-in | 6.6074 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.35 | 0.2 | 0.263 | B | 302.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ivc | 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 |
|---|