| 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 | 3VS0A | P08631 | 81 | 526 | 526.0 | VS0:60602 | Type1 | Inactive | DFGin | 5.5705 | 16.6537 | None | -129.57, 162.1 | -82.47, -42.29 | 67.42, 124.57 | 160.77, 70.48 | 69.5, 30.08 | out-out | out | 14.2453 | Saltbr-out | 14.6605 | HRD-in | -88.57, -37.73 | 75.77, -11.97 | out-out-none | SNCoon | out-none | ActLoopNT-out | 7.1153 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, -2.1 | APE8-rot-na | 22.57 | APE67-dihe-in | -68.2, -25.74 | -107.06, -1.07 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | Q523E,Q524E,Q525I | PTR522 | PTR522 | XRAY | 2.934 | 0.295 | 0.295 | A | 454.0 | 428.0 | 13 | 29 | 16 | 13 | [[262, 513]] | 1.0 | 3vs0 | 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 | 3VS0B | P08631 | 81 | 526 | 526.0 | VS0:60602 | Type1 | Inactive | DFGin | 6.0642 | 17.1807 | None | -111.8, 150.48 | -110.07, -32.77 | 65.61, 113.92 | 163.11, 68.65 | 100.74, -23.61 | out-out | out | 14.2153 | Saltbr-out | 14.3341 | HRD-in | -78.42, -39.25 | 73.05, -7.55 | out-out-none | SNCoon | out-none | ActLoopNT-out | 6.5568 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 18.88 | APE8-rot-na | 26.41 | APE67-dihe-in | -67.85, -25.96 | -92.49, -6.35 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | Q523E,Q524E,Q525I | PTR522 | PTR522 | XRAY | 2.934 | 0.295 | 0.295 | B | 454.0 | 433.0 | 13 | 29 | 16 | 13 | [[262, 513]] | 1.0 | 3vs0 | 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 | 3VS0A | P08631 | 81 | 526 | 526.0 | VS0:60602 | Type1 | Inactive | DFGin | 5.5705 | 16.6537 | None | -129.57, 162.1 | -82.47, -42.29 | 67.42, 124.57 | 160.77, 70.48 | 69.5, 30.08 | out-out | out | 14.2453 | Saltbr-out | 14.6605 | HRD-in | -88.57, -37.73 | 75.77, -11.97 | out-out-none | SNCoon | out-none | ActLoopNT-out | 7.1153 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, -2.1 | APE8-rot-na | 22.57 | APE67-dihe-in | -68.2, -25.74 | -107.06, -1.07 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | Q523E,Q524E,Q525I | PTR522 | PTR522 | XRAY | 2.934 | 0.295 | 0.295 | A | 454.0 | 428.0 | 13 | 29 | 16 | 13 | [[262, 513]] | 1.0 | 3vs0 | 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 | 3VS0B | P08631 | 81 | 526 | 526.0 | VS0:60602 | Type1 | Inactive | DFGin | 6.0642 | 17.1807 | None | -111.8, 150.48 | -110.07, -32.77 | 65.61, 113.92 | 163.11, 68.65 | 100.74, -23.61 | out-out | out | 14.2153 | Saltbr-out | 14.3341 | HRD-in | -78.42, -39.25 | 73.05, -7.55 | out-out-none | SNCoon | out-none | ActLoopNT-out | 6.5568 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 18.88 | APE8-rot-na | 26.41 | APE67-dihe-in | -67.85, -25.96 | -92.49, -6.35 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | Q523E,Q524E,Q525I | PTR522 | PTR522 | XRAY | 2.934 | 0.295 | 0.295 | B | 454.0 | 433.0 | 13 | 29 | 16 | 13 | [[262, 513]] | 1.0 | 3vs0 | 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 |
|---|