| 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 | BTK | BTK_HUMAN | 8YVVA | Q06187 | 394 | 658 | 659.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9975 | 13.8277 | BLBplus | -134.73, -178.16 | 59.38, 44.59 | -109.86, 142.64 | 55.87, 84.85 | 77.65, -67.74 | out-out | out | 14.3246 | Saltbr-out | 15.544 | HRD-in | -75.34, -58.82 | 89.51, -11.43 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -123.34, 14.3 | APE9-dihe-in | -77.59, 136.04 | APE8-dihe-in | -77.96, 72.48 | APE8-rot-na | 34.0 | APE67-dihe-in | -72.74, -9.49 | -60.94, -40.0 | APE12-dist-na | 22.471 | APE11-dist-na | 19.5489 | APE10-dist-na | 15.1318 | APE9-dist-out | 8.4964 | None | None | None | XRAY | 2.25 | 0.211 | 0.266 | A | 266.0 | 262.0 | 3 | 29 | 28 | 1 | [[402, 653]] | 1.0 | 8yvv | TYR_BTK_HUMAN | TYR | 5.6e-93 | 316.9 | 1.0 | 258.0 | 258.0 | 538 | 539 | 540 | 542 | 544 | 430 | 445 | 449 | 518 | 520 | 519 | 521.0 | 579 | 567 | 562 | 561 | 560 | 559 | 558 | 557 | 556 | 475 | Tyrosine-protein kinase BTK |
| TYR | BTK | BTK_HUMAN | 8YVVB | Q06187 | 395 | 658 | 659.0 | No_ligand | No_ligand | Inactive | DFGin | 6.0135 | 13.8585 | BLBplus | -134.8, -177.27 | 59.8, 43.75 | -110.54, 141.4 | 55.94, 96.02 | 79.54, -66.86 | out-out | out | 14.2328 | Saltbr-out | 14.8275 | HRD-in | -75.12, -58.7 | 89.76, -10.72 | out-out-none | SNCoon | out-none | ActLoopNT-out | 12.1423 | 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, 69.43 | APE8-rot-na | 32.53 | APE67-dihe-in | -73.72, -9.32 | -60.74, -39.78 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.25 | 0.211 | 0.266 | B | 266.0 | 247.0 | 17 | 29 | 14 | 15 | [[402, 653]] | 1.0 | 8yvv | TYR_BTK_HUMAN | TYR | 5.6e-93 | 316.9 | 1.0 | 258.0 | 258.0 | 538 | 539 | 540 | 542 | 544 | 430 | 445 | 449 | 518 | 520 | 519 | 521.0 | 579 | 567 | 562 | 561 | 560 | 559 | 558 | 557 | 556 | 475 | Tyrosine-protein kinase BTK |
| 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 | BTK | BTK_HUMAN | 8YVVA | Q06187 | 394 | 658 | 659.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9975 | 13.8277 | BLBplus | -134.73, -178.16 | 59.38, 44.59 | -109.86, 142.64 | 55.87, 84.85 | 77.65, -67.74 | out-out | out | 14.3246 | Saltbr-out | 15.544 | HRD-in | -75.34, -58.82 | 89.51, -11.43 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -123.34, 14.3 | APE9-dihe-in | -77.59, 136.04 | APE8-dihe-in | -77.96, 72.48 | APE8-rot-na | 34.0 | APE67-dihe-in | -72.74, -9.49 | -60.94, -40.0 | APE12-dist-na | 22.471 | APE11-dist-na | 19.5489 | APE10-dist-na | 15.1318 | APE9-dist-out | 8.4964 | None | None | None | XRAY | 2.25 | 0.211 | 0.266 | A | 266.0 | 262.0 | 3 | 29 | 28 | 1 | [[402, 653]] | 1.0 | 8yvv | Homo sapiens | TYR_BTK_HUMAN | TYR | 5.6e-93 | 316.9 | 1.0 | 258.0 | 258.0 | 538 | 539 | 540 | 542 | 544 | 430 | 445 | 449 | 518 | 520 | 519 | 521.0 | 579 | 567 | 562 | 561 | 560 | 559 | 558 | 557 | 556 | 475 | Tyrosine-protein kinase BTK |
| TYR | BTK | BTK_HUMAN | 8YVVB | Q06187 | 395 | 658 | 659.0 | No_ligand | No_ligand | Inactive | DFGin | 6.0135 | 13.8585 | BLBplus | -134.8, -177.27 | 59.8, 43.75 | -110.54, 141.4 | 55.94, 96.02 | 79.54, -66.86 | out-out | out | 14.2328 | Saltbr-out | 14.8275 | HRD-in | -75.12, -58.7 | 89.76, -10.72 | out-out-none | SNCoon | out-none | ActLoopNT-out | 12.1423 | 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, 69.43 | APE8-rot-na | 32.53 | APE67-dihe-in | -73.72, -9.32 | -60.74, -39.78 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.25 | 0.211 | 0.266 | B | 266.0 | 247.0 | 17 | 29 | 14 | 15 | [[402, 653]] | 1.0 | 8yvv | Homo sapiens | TYR_BTK_HUMAN | TYR | 5.6e-93 | 316.9 | 1.0 | 258.0 | 258.0 | 538 | 539 | 540 | 542 | 544 | 430 | 445 | 449 | 518 | 520 | 519 | 521.0 | 579 | 567 | 562 | 561 | 560 | 559 | 558 | 557 | 556 | 475 | Tyrosine-protein kinase BTK |
| 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 |
|---|