| 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 | HCK | HCK_HUMAN | 3VS3A | P08631 | 81 | 526 | 526.0 | VSE:60601 | Type1.5_Back | Inactive | DFGin | 5.5067 | 12.703 | BLBplus | -113.89, 168.6 | 61.04, 21.1 | -67.43, 128.3 | 47.77, 89.98 | 67.78, 34.56 | out-out | out | 13.8346 | Saltbr-out | 15.043 | HRD-in | -96.96, -54.21 | 81.88, -16.05 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.2454 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 144.12 | APE8-dihe-in | -128.46, 60.71 | APE8-rot-na | 31.05 | APE67-dihe-in | -71.07, -14.35 | -69.43, -16.51 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 10.3677 | Q523E,Q524E,Q525I | PTR522 | PTR522 | XRAY | 2.17 | 0.279 | 0.279 | A | 454.0 | 434.0 | 12 | 29 | 17 | 12 | [[262, 513]] | 1.0 | 3vs3 | TYR_HCK_HUMAN | TYR | 1.4e-95 | 325.6 | 1.0 | 260.0 | 260.0 | 398 | 399 | 400 | 402 | 404 | 290 | 305 | 309 | 378 | 380 | 379 | 381.0 | 439 | 427 | 422 | 421 | 420 | 419 | 418 | 417 | 416 | 334 | Tyrosine-protein kinase HCK |
| TYR | HCK | HCK_HUMAN | 3VS3B | P08631 | 81 | 526 | 526.0 | VSE:60601 | Type1.5_Back | Inactive | DFGin | 5.3646 | 12.6117 | BLBplus | -119.71, 171.03 | 60.1, 22.2 | -67.88, 124.89 | 43.05, 86.27 | 84.83, -11.09 | out-out | out | 13.6909 | Saltbr-out | 14.613 | HRD-in | -90.51, -51.33 | 80.7, -19.73 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.5216 | ActLoopCT-out | TYR | APEdihe_niiai | APEdist_aaao | APE10-dihe-none | 999.0, 176.56 | APE9-dihe-in | -71.84, 130.34 | APE8-dihe-in | -72.47, 67.45 | APE8-rot-na | 28.63 | APE67-dihe-in | -66.79, -16.88 | -59.5, -36.5 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 17.2488 | APE9-dist-out | 9.4057 | Q523E,Q524E,Q525I | PTR522 | PTR522 | XRAY | 2.17 | 0.279 | 0.279 | B | 454.0 | 431.0 | 10 | 29 | 19 | 10 | [[262, 513]] | 1.0 | 3vs3 | TYR_HCK_HUMAN | TYR | 1.4e-95 | 325.6 | 1.0 | 260.0 | 260.0 | 398 | 399 | 400 | 402 | 404 | 290 | 305 | 309 | 378 | 380 | 379 | 381.0 | 439 | 427 | 422 | 421 | 420 | 419 | 418 | 417 | 416 | 334 | Tyrosine-protein kinase HCK |
| 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 | HCK | HCK_HUMAN | 3VS3A | P08631 | 81 | 526 | 526.0 | VSE:60601 | Type1.5_Back | Inactive | DFGin | 5.5067 | 12.703 | BLBplus | -113.89, 168.6 | 61.04, 21.1 | -67.43, 128.3 | 47.77, 89.98 | 67.78, 34.56 | out-out | out | 13.8346 | Saltbr-out | 15.043 | HRD-in | -96.96, -54.21 | 81.88, -16.05 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.2454 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 144.12 | APE8-dihe-in | -128.46, 60.71 | APE8-rot-na | 31.05 | APE67-dihe-in | -71.07, -14.35 | -69.43, -16.51 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 10.3677 | Q523E,Q524E,Q525I | PTR522 | PTR522 | XRAY | 2.17 | 0.279 | 0.279 | A | 454.0 | 434.0 | 12 | 29 | 17 | 12 | [[262, 513]] | 1.0 | 3vs3 | Homo sapiens | TYR_HCK_HUMAN | TYR | 1.4e-95 | 325.6 | 1.0 | 260.0 | 260.0 | 398 | 399 | 400 | 402 | 404 | 290 | 305 | 309 | 378 | 380 | 379 | 381.0 | 439 | 427 | 422 | 421 | 420 | 419 | 418 | 417 | 416 | 334 | Tyrosine-protein kinase HCK |
| TYR | HCK | HCK_HUMAN | 3VS3B | P08631 | 81 | 526 | 526.0 | VSE:60601 | Type1.5_Back | Inactive | DFGin | 5.3646 | 12.6117 | BLBplus | -119.71, 171.03 | 60.1, 22.2 | -67.88, 124.89 | 43.05, 86.27 | 84.83, -11.09 | out-out | out | 13.6909 | Saltbr-out | 14.613 | HRD-in | -90.51, -51.33 | 80.7, -19.73 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.5216 | ActLoopCT-out | TYR | APEdihe_niiai | APEdist_aaao | APE10-dihe-none | 999.0, 176.56 | APE9-dihe-in | -71.84, 130.34 | APE8-dihe-in | -72.47, 67.45 | APE8-rot-na | 28.63 | APE67-dihe-in | -66.79, -16.88 | -59.5, -36.5 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 17.2488 | APE9-dist-out | 9.4057 | Q523E,Q524E,Q525I | PTR522 | PTR522 | XRAY | 2.17 | 0.279 | 0.279 | B | 454.0 | 431.0 | 10 | 29 | 19 | 10 | [[262, 513]] | 1.0 | 3vs3 | Homo sapiens | TYR_HCK_HUMAN | TYR | 1.4e-95 | 325.6 | 1.0 | 260.0 | 260.0 | 398 | 399 | 400 | 402 | 404 | 290 | 305 | 309 | 378 | 380 | 379 | 381.0 | 439 | 427 | 422 | 421 | 420 | 419 | 418 | 417 | 416 | 334 | Tyrosine-protein kinase HCK |
| 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 |
|---|