| 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 | LCK | LCK_HUMAN | 2OFVA | P06239 | 232 | 498 | 509.0 | 242:60503 | Type2 | Inactive | DFGout | 14.7252 | 10.522 | None | -150.8, 177.89 | -156.14, 104.83 | -146.7, 29.24 | 58.19, 94.86 | -70.67, -18.76 | in-in | in | 8.1017 | Saltbr-in | 2.8157 | HRD-in | -63.81, -56.73 | 81.39, -17.57 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | TYR | APEdihe_nnnan | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-na | 999.0 | APE67-dihe-none | -66.38, -9.13 | 999.0, 161.28 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.0 | 0.274 | 0.301 | A | 277.0 | 243.0 | 24 | 29 | 12 | 17 | [[245, 496]] | 1.0 | 2ofv | TYR_LCK_HUMAN | TYR | 1.3e-94 | 322.2 | 1.0 | 260.0 | 260.0 | 381 | 382 | 383 | 385 | 387 | 273 | 288 | 292 | 361 | 363 | 362 | 364.0 | 422 | 410 | 405 | 404 | 403 | 402 | 401 | 400 | 399 | 317 | Tyrosine-protein kinase Lck |
| TYR | LCK | LCK_HUMAN | 2OFVB | P06239 | 232 | 498 | 509.0 | 242:60503 | Type2 | Inactive | DFGout | 14.6309 | 10.6606 | None | -147.07, -175.72 | -160.36, 105.8 | -148.26, 28.72 | 55.51, 100.37 | -69.36, -20.81 | in-in | in | 7.9375 | Saltbr-in | 2.7974 | HRD-in | -66.99, -53.14 | 73.02, -17.06 | in-out-none | SNCion | out-none | ActLoopNT-out | 11.8667 | 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, 45.76 | APE8-rot-na | 999.0 | APE67-dihe-in | -65.32, -16.12 | -30.26, -66.99 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.0 | 0.274 | 0.301 | B | 277.0 | 243.0 | 24 | 29 | 18 | 11 | [[245, 496]] | 1.0 | 2ofv | TYR_LCK_HUMAN | TYR | 1.3e-94 | 322.2 | 1.0 | 260.0 | 260.0 | 381 | 382 | 383 | 385 | 387 | 273 | 288 | 292 | 361 | 363 | 362 | 364.0 | 422 | 410 | 405 | 404 | 403 | 402 | 401 | 400 | 399 | 317 | Tyrosine-protein kinase Lck |
| 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 | LCK | LCK_HUMAN | 2OFVA | P06239 | 232 | 498 | 509.0 | 242:60503 | Type2 | Inactive | DFGout | 14.7252 | 10.522 | None | -150.8, 177.89 | -156.14, 104.83 | -146.7, 29.24 | 58.19, 94.86 | -70.67, -18.76 | in-in | in | 8.1017 | Saltbr-in | 2.8157 | HRD-in | -63.81, -56.73 | 81.39, -17.57 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | TYR | APEdihe_nnnan | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-na | 999.0 | APE67-dihe-none | -66.38, -9.13 | 999.0, 161.28 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.0 | 0.274 | 0.301 | A | 277.0 | 243.0 | 24 | 29 | 12 | 17 | [[245, 496]] | 1.0 | 2ofv | Homo sapiens | TYR_LCK_HUMAN | TYR | 1.3e-94 | 322.2 | 1.0 | 260.0 | 260.0 | 381 | 382 | 383 | 385 | 387 | 273 | 288 | 292 | 361 | 363 | 362 | 364.0 | 422 | 410 | 405 | 404 | 403 | 402 | 401 | 400 | 399 | 317 | Tyrosine-protein kinase Lck |
| TYR | LCK | LCK_HUMAN | 2OFVB | P06239 | 232 | 498 | 509.0 | 242:60503 | Type2 | Inactive | DFGout | 14.6309 | 10.6606 | None | -147.07, -175.72 | -160.36, 105.8 | -148.26, 28.72 | 55.51, 100.37 | -69.36, -20.81 | in-in | in | 7.9375 | Saltbr-in | 2.7974 | HRD-in | -66.99, -53.14 | 73.02, -17.06 | in-out-none | SNCion | out-none | ActLoopNT-out | 11.8667 | 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, 45.76 | APE8-rot-na | 999.0 | APE67-dihe-in | -65.32, -16.12 | -30.26, -66.99 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.0 | 0.274 | 0.301 | B | 277.0 | 243.0 | 24 | 29 | 18 | 11 | [[245, 496]] | 1.0 | 2ofv | Homo sapiens | TYR_LCK_HUMAN | TYR | 1.3e-94 | 322.2 | 1.0 | 260.0 | 260.0 | 381 | 382 | 383 | 385 | 387 | 273 | 288 | 292 | 361 | 363 | 362 | 364.0 | 422 | 410 | 405 | 404 | 403 | 402 | 401 | 400 | 399 | 317 | Tyrosine-protein kinase Lck |
| 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 |
|---|