| 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 | 6GGHA | P23458 | 865 | 1154 | 1154.0 | EYQ:1201 | Type1 | Inactive | DFGin | 6.4736 | 13.7082 | ABAminus | -120.02, -5.29 | -148.47, 136.5 | -125.28, 25.35 | 294.61, 85.16 | -56.12, -34.28 | in-in | in | 7.7182 | Saltbr-in | 2.5913 | HRD-in | -74.74, -47.68 | 65.51, 13.25 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7664 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | 52.1, 57.9 | APE9-dihe-in | -80.13, 145.81 | APE8-dihe-in | -79.99, 78.75 | APE8-rot-na | 31.21 | APE67-dihe-in | -74.16, -4.73 | -59.55, -32.45 | APE12-dist-na | 10.1051 | APE11-dist-na | 9.8842 | APE10-dist-na | 9.9812 | APE9-dist-in | 6.1057 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.7 | 0.192 | 0.262 | A | 292.0 | 286.0 | 4 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6ggh | TYR_JAK1-2_HUMAN | TYR | 1.9e-87 | 298.8 | 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 | 6GGHB | P23458 | 863 | 1154 | 1154.0 | EYQ:1201 | Type1 | Inactive | DFGin | 6.3928 | 13.8854 | ABAminus | -111.86, -4.02 | -150.16, 140.27 | -128.87, 25.84 | 291.88, 86.63 | -62.88, -36.22 | in-in | in | 7.7947 | Saltbr-in | 2.5918 | HRD-in | -72.53, -48.04 | 68.9, 11.02 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7893 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | 72.16, 30.7 | APE9-dihe-in | -88.91, 131.65 | APE8-dihe-in | -78.72, 80.52 | APE8-rot-na | 31.53 | APE67-dihe-in | -73.31, -5.76 | -61.33, -30.45 | APE12-dist-na | 10.2866 | APE11-dist-na | 10.6521 | APE10-dist-na | 8.3392 | APE9-dist-in | 5.9942 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.7 | 0.192 | 0.262 | B | 292.0 | 282.0 | 10 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6ggh | TYR_JAK1-2_HUMAN | TYR | 1.9e-87 | 298.8 | 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 | 6GGHA | P23458 | 865 | 1154 | 1154.0 | EYQ:1201 | Type1 | Inactive | DFGin | 6.4736 | 13.7082 | ABAminus | -120.02, -5.29 | -148.47, 136.5 | -125.28, 25.35 | 294.61, 85.16 | -56.12, -34.28 | in-in | in | 7.7182 | Saltbr-in | 2.5913 | HRD-in | -74.74, -47.68 | 65.51, 13.25 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7664 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | 52.1, 57.9 | APE9-dihe-in | -80.13, 145.81 | APE8-dihe-in | -79.99, 78.75 | APE8-rot-na | 31.21 | APE67-dihe-in | -74.16, -4.73 | -59.55, -32.45 | APE12-dist-na | 10.1051 | APE11-dist-na | 9.8842 | APE10-dist-na | 9.9812 | APE9-dist-in | 6.1057 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.7 | 0.192 | 0.262 | A | 292.0 | 286.0 | 4 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6ggh | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 1.9e-87 | 298.8 | 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 | 6GGHB | P23458 | 863 | 1154 | 1154.0 | EYQ:1201 | Type1 | Inactive | DFGin | 6.3928 | 13.8854 | ABAminus | -111.86, -4.02 | -150.16, 140.27 | -128.87, 25.84 | 291.88, 86.63 | -62.88, -36.22 | in-in | in | 7.7947 | Saltbr-in | 2.5918 | HRD-in | -72.53, -48.04 | 68.9, 11.02 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7893 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | 72.16, 30.7 | APE9-dihe-in | -88.91, 131.65 | APE8-dihe-in | -78.72, 80.52 | APE8-rot-na | 31.53 | APE67-dihe-in | -73.31, -5.76 | -61.33, -30.45 | APE12-dist-na | 10.2866 | APE11-dist-na | 10.6521 | APE10-dist-na | 8.3392 | APE9-dist-in | 5.9942 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.7 | 0.192 | 0.262 | B | 292.0 | 282.0 | 10 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6ggh | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 1.9e-87 | 298.8 | 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 |
|---|