| 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 | 5WO4A | P23458 | 854 | 1154 | 1154.0 | B7V:2001 | Type1 | Inactive | DFGin | 6.5589 | 13.4747 | ABAminus | -113.4, 5.79 | -147.65, 137.71 | -131.93, 25.73 | 295.23, 90.95 | -54.73, -30.34 | in-in | in | 7.6759 | Saltbr-in | 2.7544 | HRD-in | -72.7, -46.52 | 67.85, -2.92 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8208 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -113.62, 42.17 | APE9-dihe-in | -67.76, 140.08 | APE8-dihe-in | -81.09, 72.14 | APE8-rot-na | 29.77 | APE67-dihe-in | -75.22, -1.83 | -52.55, -34.79 | APE12-dist-na | 10.7973 | APE11-dist-na | 12.9011 | APE10-dist-na | 10.4662 | APE9-dist-in | 6.8227 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.84 | 0.188 | 0.211 | A | 302.0 | 294.0 | 7 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 5wo4 | 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 | 5WO4B | P23458 | 865 | 1154 | 1154.0 | B7V:2001 | Type1 | Inactive | DFGin | 6.5504 | 13.4107 | ABAminus | -111.8, 3.6 | -145.5, 139.23 | -132.92, 27.81 | 292.27, 90.98 | -57.76, -28.76 | in-in | in | 7.6152 | Saltbr-in | 2.7806 | HRD-in | -72.82, -49.06 | 69.56, 1.39 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8385 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -114.71, 39.74 | APE9-dihe-in | -66.32, 138.27 | APE8-dihe-in | -78.58, 73.11 | APE8-rot-na | 28.91 | APE67-dihe-in | -75.88, -0.88 | -52.5, -34.22 | APE12-dist-na | 10.8657 | APE11-dist-na | 12.9297 | APE10-dist-na | 10.505 | APE9-dist-in | 6.7428 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.84 | 0.188 | 0.211 | B | 302.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 5wo4 | 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 | 5WO4A | P23458 | 854 | 1154 | 1154.0 | B7V:2001 | Type1 | Inactive | DFGin | 6.5589 | 13.4747 | ABAminus | -113.4, 5.79 | -147.65, 137.71 | -131.93, 25.73 | 295.23, 90.95 | -54.73, -30.34 | in-in | in | 7.6759 | Saltbr-in | 2.7544 | HRD-in | -72.7, -46.52 | 67.85, -2.92 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8208 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -113.62, 42.17 | APE9-dihe-in | -67.76, 140.08 | APE8-dihe-in | -81.09, 72.14 | APE8-rot-na | 29.77 | APE67-dihe-in | -75.22, -1.83 | -52.55, -34.79 | APE12-dist-na | 10.7973 | APE11-dist-na | 12.9011 | APE10-dist-na | 10.4662 | APE9-dist-in | 6.8227 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.84 | 0.188 | 0.211 | A | 302.0 | 294.0 | 7 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 5wo4 | 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 | 5WO4B | P23458 | 865 | 1154 | 1154.0 | B7V:2001 | Type1 | Inactive | DFGin | 6.5504 | 13.4107 | ABAminus | -111.8, 3.6 | -145.5, 139.23 | -132.92, 27.81 | 292.27, 90.98 | -57.76, -28.76 | in-in | in | 7.6152 | Saltbr-in | 2.7806 | HRD-in | -72.82, -49.06 | 69.56, 1.39 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8385 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -114.71, 39.74 | APE9-dihe-in | -66.32, 138.27 | APE8-dihe-in | -78.58, 73.11 | APE8-rot-na | 28.91 | APE67-dihe-in | -75.88, -0.88 | -52.5, -34.22 | APE12-dist-na | 10.8657 | APE11-dist-na | 12.9297 | APE10-dist-na | 10.505 | APE9-dist-in | 6.7428 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.84 | 0.188 | 0.211 | B | 302.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 5wo4 | 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 |
|---|