| 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 | 6SMBA | P23458 | 863 | 1153 | 1154.0 | LKQ:1201 | Type1 | Inactive | DFGin | 6.6066 | 13.7308 | ABAminus | -104.09, 12.38 | -161.47, 134.46 | -125.84, 26.47 | 298.3, 80.99 | -58.62, -24.17 | in-in | in | 7.8314 | Saltbr-in | 2.6426 | HRD-in | -73.47, -45.53 | 65.45, 5.36 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7488 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -94.53, 41.14 | APE9-dihe-in | -70.01, 131.09 | APE8-dihe-in | -75.02, 72.06 | APE8-rot-na | 25.33 | APE67-dihe-in | -73.28, -2.79 | -51.04, -36.86 | APE12-dist-na | 12.0201 | APE11-dist-na | 12.7163 | APE10-dist-na | 10.2351 | APE9-dist-in | 6.7545 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.04 | 0.224 | 0.265 | A | 301.0 | 288.0 | 3 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6smb | TYR_JAK1-2_HUMAN | TYR | 2.1e-87 | 298.7 | 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 | 6SMBB | P23458 | 863 | 1153 | 1154.0 | LKQ:1201 | Type1 | Inactive | DFGin | 6.6183 | 13.8112 | ABAminus | -106.29, 15.46 | -163.61, 135.62 | -126.74, 26.38 | 298.65, 81.43 | -58.83, -23.63 | in-in | in | 7.8691 | Saltbr-in | 2.6267 | HRD-in | -72.91, -46.19 | 66.2, 3.06 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7449 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | 76.78, 22.71 | APE9-dihe-in | -68.31, 133.01 | APE8-dihe-in | -75.13, 72.89 | APE8-rot-na | 25.36 | APE67-dihe-in | -72.9, -3.33 | -50.86, -36.85 | APE12-dist-na | 10.8308 | APE11-dist-na | 12.5749 | APE10-dist-na | 10.4555 | APE9-dist-in | 6.6799 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.04 | 0.224 | 0.265 | B | 301.0 | 282.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6smb | TYR_JAK1-2_HUMAN | TYR | 2.1e-87 | 298.7 | 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 | 6SMBA | P23458 | 863 | 1153 | 1154.0 | LKQ:1201 | Type1 | Inactive | DFGin | 6.6066 | 13.7308 | ABAminus | -104.09, 12.38 | -161.47, 134.46 | -125.84, 26.47 | 298.3, 80.99 | -58.62, -24.17 | in-in | in | 7.8314 | Saltbr-in | 2.6426 | HRD-in | -73.47, -45.53 | 65.45, 5.36 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7488 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -94.53, 41.14 | APE9-dihe-in | -70.01, 131.09 | APE8-dihe-in | -75.02, 72.06 | APE8-rot-na | 25.33 | APE67-dihe-in | -73.28, -2.79 | -51.04, -36.86 | APE12-dist-na | 12.0201 | APE11-dist-na | 12.7163 | APE10-dist-na | 10.2351 | APE9-dist-in | 6.7545 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.04 | 0.224 | 0.265 | A | 301.0 | 288.0 | 3 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6smb | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 2.1e-87 | 298.7 | 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 | 6SMBB | P23458 | 863 | 1153 | 1154.0 | LKQ:1201 | Type1 | Inactive | DFGin | 6.6183 | 13.8112 | ABAminus | -106.29, 15.46 | -163.61, 135.62 | -126.74, 26.38 | 298.65, 81.43 | -58.83, -23.63 | in-in | in | 7.8691 | Saltbr-in | 2.6267 | HRD-in | -72.91, -46.19 | 66.2, 3.06 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7449 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | 76.78, 22.71 | APE9-dihe-in | -68.31, 133.01 | APE8-dihe-in | -75.13, 72.89 | APE8-rot-na | 25.36 | APE67-dihe-in | -72.9, -3.33 | -50.86, -36.85 | APE12-dist-na | 10.8308 | APE11-dist-na | 12.5749 | APE10-dist-na | 10.4555 | APE9-dist-in | 6.6799 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.04 | 0.224 | 0.265 | B | 301.0 | 282.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6smb | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 2.1e-87 | 298.7 | 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 |
|---|