| 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 | 4IVDA | P23458 | 854 | 1154 | 1154.0 | 15T:61201 | Type1 | Inactive | DFGin | 6.3094 | 13.3038 | ABAminus | -118.43, 8.35 | -154.11, 148.17 | -137.65, 24.48 | 298.46, 83.68 | -55.12, -27.34 | in-in | in | 7.7486 | Saltbr-in | 2.7286 | HRD-in | -85.26, -46.42 | 71.64, 5.83 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9031 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -118.71, 33.92 | APE9-dihe-in | -63.4, 140.18 | APE8-dihe-in | -80.26, 75.71 | APE8-rot-na | 32.55 | APE67-dihe-in | -74.69, -4.74 | -58.39, -31.37 | APE12-dist-na | 11.2468 | APE11-dist-na | 12.9702 | APE10-dist-na | 10.2675 | APE9-dist-in | 6.6549 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.93 | 0.204 | 0.247 | A | 302.0 | 291.0 | 10 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ivd | 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 | 4IVDB | P23458 | 865 | 1154 | 1154.0 | 15T:61201 | Type1 | Inactive | DFGin | 6.4106 | 13.3698 | ABAminus | -112.55, 2.72 | -159.22, 144.81 | -135.21, 28.45 | 296.48, 84.97 | -57.15, -29.77 | in-in | in | 7.6756 | Saltbr-in | 2.7452 | HRD-in | -84.66, -44.43 | 68.53, 7.81 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9218 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -119.94, 35.04 | APE9-dihe-in | -66.46, 139.38 | APE8-dihe-in | -79.29, 77.36 | APE8-rot-na | 30.63 | APE67-dihe-in | -76.81, -5.82 | -62.53, -27.62 | APE12-dist-na | 11.2208 | APE11-dist-na | 12.9738 | APE10-dist-na | 10.2444 | APE9-dist-in | 6.6658 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.93 | 0.204 | 0.247 | B | 302.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ivd | 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 | 4IVDA | P23458 | 854 | 1154 | 1154.0 | 15T:61201 | Type1 | Inactive | DFGin | 6.3094 | 13.3038 | ABAminus | -118.43, 8.35 | -154.11, 148.17 | -137.65, 24.48 | 298.46, 83.68 | -55.12, -27.34 | in-in | in | 7.7486 | Saltbr-in | 2.7286 | HRD-in | -85.26, -46.42 | 71.64, 5.83 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9031 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -118.71, 33.92 | APE9-dihe-in | -63.4, 140.18 | APE8-dihe-in | -80.26, 75.71 | APE8-rot-na | 32.55 | APE67-dihe-in | -74.69, -4.74 | -58.39, -31.37 | APE12-dist-na | 11.2468 | APE11-dist-na | 12.9702 | APE10-dist-na | 10.2675 | APE9-dist-in | 6.6549 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.93 | 0.204 | 0.247 | A | 302.0 | 291.0 | 10 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ivd | 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 | 4IVDB | P23458 | 865 | 1154 | 1154.0 | 15T:61201 | Type1 | Inactive | DFGin | 6.4106 | 13.3698 | ABAminus | -112.55, 2.72 | -159.22, 144.81 | -135.21, 28.45 | 296.48, 84.97 | -57.15, -29.77 | in-in | in | 7.6756 | Saltbr-in | 2.7452 | HRD-in | -84.66, -44.43 | 68.53, 7.81 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9218 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -119.94, 35.04 | APE9-dihe-in | -66.46, 139.38 | APE8-dihe-in | -79.29, 77.36 | APE8-rot-na | 30.63 | APE67-dihe-in | -76.81, -5.82 | -62.53, -27.62 | APE12-dist-na | 11.2208 | APE11-dist-na | 12.9738 | APE10-dist-na | 10.2444 | APE9-dist-in | 6.6658 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.93 | 0.204 | 0.247 | B | 302.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ivd | 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 |
|---|