| 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 | 1K2PA | Q06187 | 397 | 654 | 659.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2691 | 13.6092 | BLAplus | -137.21, -161.69 | 45.76, 46.11 | -111.57, 23.49 | 52.19, 85.05 | -57.85, -62.14 | out-out | out | 13.2869 | Saltbr-out | 10.6239 | HRD-out | -102.12, 102.51 | -76.81, 5.84 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.3416 | ActLoopCT-out | TYR | APEdihe_iiiai | APEdist_aaao | APE10-dihe-in | -178.37, 168.38 | APE9-dihe-in | -137.01, 135.64 | APE8-dihe-in | -77.95, 68.38 | APE8-rot-na | 27.72 | APE67-dihe-in | -66.74, -7.07 | -47.38, -37.03 | APE12-dist-na | 14.5076 | APE11-dist-na | 13.5124 | APE10-dist-na | 15.7561 | APE9-dist-out | 8.121 | None | None | None | XRAY | 2.1 | 0.28 | 0.287 | A | 263.0 | 258.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 1k2p | TYR_BTK_HUMAN | TYR | 5.4e-93 | 317.0 | 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 | 1K2PB | Q06187 | 397 | 654 | 659.0 | No_ligand | No_ligand | Inactive | DFGin | 6.457 | 13.1625 | BLBplus | -139.6, -161.19 | 59.0, 26.74 | -105.15, 158.18 | 56.54, 91.73 | 152.19, -71.86 | out-out | out | 12.9943 | Saltbr-out | 10.301 | HRD-in | -87.21, -28.6 | 73.87, -41.31 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7353 | ActLoopCT-out | TYR | APEdihe_iioao | APEdist_aaai | APE10-dihe-in | -120.27, 103.13 | APE9-dihe-in | -86.88, 165.1 | APE8-dihe-out | -60.59, -22.28 | APE8-rot-na | 27.98 | APE67-dihe-out | -58.09, -40.25 | 73.96, -61.99 | APE12-dist-na | 16.6499 | APE11-dist-na | 13.4797 | APE10-dist-na | 16.127 | APE9-dist-in | 7.2691 | None | None | None | XRAY | 2.1 | 0.28 | 0.287 | B | 263.0 | 258.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 1k2p | TYR_BTK_HUMAN | TYR | 5.4e-93 | 317.0 | 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 | 1K2PA | Q06187 | 397 | 654 | 659.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2691 | 13.6092 | BLAplus | -137.21, -161.69 | 45.76, 46.11 | -111.57, 23.49 | 52.19, 85.05 | -57.85, -62.14 | out-out | out | 13.2869 | Saltbr-out | 10.6239 | HRD-out | -102.12, 102.51 | -76.81, 5.84 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.3416 | ActLoopCT-out | TYR | APEdihe_iiiai | APEdist_aaao | APE10-dihe-in | -178.37, 168.38 | APE9-dihe-in | -137.01, 135.64 | APE8-dihe-in | -77.95, 68.38 | APE8-rot-na | 27.72 | APE67-dihe-in | -66.74, -7.07 | -47.38, -37.03 | APE12-dist-na | 14.5076 | APE11-dist-na | 13.5124 | APE10-dist-na | 15.7561 | APE9-dist-out | 8.121 | None | None | None | XRAY | 2.1 | 0.28 | 0.287 | A | 263.0 | 258.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 1k2p | Homo sapiens | TYR_BTK_HUMAN | TYR | 5.4e-93 | 317.0 | 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 | 1K2PB | Q06187 | 397 | 654 | 659.0 | No_ligand | No_ligand | Inactive | DFGin | 6.457 | 13.1625 | BLBplus | -139.6, -161.19 | 59.0, 26.74 | -105.15, 158.18 | 56.54, 91.73 | 152.19, -71.86 | out-out | out | 12.9943 | Saltbr-out | 10.301 | HRD-in | -87.21, -28.6 | 73.87, -41.31 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7353 | ActLoopCT-out | TYR | APEdihe_iioao | APEdist_aaai | APE10-dihe-in | -120.27, 103.13 | APE9-dihe-in | -86.88, 165.1 | APE8-dihe-out | -60.59, -22.28 | APE8-rot-na | 27.98 | APE67-dihe-out | -58.09, -40.25 | 73.96, -61.99 | APE12-dist-na | 16.6499 | APE11-dist-na | 13.4797 | APE10-dist-na | 16.127 | APE9-dist-in | 7.2691 | None | None | None | XRAY | 2.1 | 0.28 | 0.287 | B | 263.0 | 258.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 1k2p | Homo sapiens | TYR_BTK_HUMAN | TYR | 5.4e-93 | 317.0 | 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 |
|---|