| 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 | 5JRSA | Q06187 | 396 | 656 | 659.0 | 6MV:64000 | Type1 | Inactive | DFGin | 6.0609 | 13.3395 | BLBplus | -124.69, 170.12 | 55.97, 34.2 | -67.63, 128.46 | 35.86, 96.69 | 69.73, 6.07 | out-out | out | 14.9306 | Saltbr-out | 13.2279 | HRD-in | -69.99, -56.03 | 84.33, -14.06 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.7446 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -107.56, 5.66 | APE9-dihe-in | -66.64, 144.44 | APE8-dihe-in | -83.22, 65.57 | APE8-rot-na | 33.78 | APE67-dihe-in | -68.72, -13.46 | -60.6, -36.2 | APE12-dist-na | 17.2392 | APE11-dist-na | 19.1688 | APE10-dist-na | 14.3888 | APE9-dist-out | 8.7529 | None | None | None | XRAY | 1.97 | 0.203 | 0.226 | A | 267.0 | 257.0 | 4 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 5jrs | TYR_BTK_HUMAN | TYR | 5.7e-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 | 5JRSB | Q06187 | 396 | 655 | 659.0 | 6MV:64000 | Type1 | Inactive | DFGin | 5.9654 | 13.4845 | BLBplus | -124.08, 170.99 | 56.24, 32.66 | -67.77, 127.61 | 36.28, 96.89 | 68.67, 6.72 | out-none | out | 14.8868 | Saltbr-none | 999.0 | HRD-in | -69.59, -54.99 | 82.87, -12.35 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.8699 | ActLoopCT-out | TYR | APEdihe_nooai | APEdist_aaao | APE10-dihe-none | 999.0, -43.7 | APE9-dihe-out | -53.67, -38.72 | APE8-dihe-out | -66.14, 0.13 | APE8-rot-na | 344.61 | APE67-dihe-in | -68.32, -13.38 | -53.75, -36.16 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 17.8185 | APE9-dist-out | 11.039 | None | None | None | XRAY | 1.97 | 0.203 | 0.226 | B | 267.0 | 239.0 | 21 | 29 | 18 | 11 | [[402, 653]] | 1.0 | 5jrs | TYR_BTK_HUMAN | TYR | 5.7e-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 | 5JRSA | Q06187 | 396 | 656 | 659.0 | 6MV:64000 | Type1 | Inactive | DFGin | 6.0609 | 13.3395 | BLBplus | -124.69, 170.12 | 55.97, 34.2 | -67.63, 128.46 | 35.86, 96.69 | 69.73, 6.07 | out-out | out | 14.9306 | Saltbr-out | 13.2279 | HRD-in | -69.99, -56.03 | 84.33, -14.06 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.7446 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -107.56, 5.66 | APE9-dihe-in | -66.64, 144.44 | APE8-dihe-in | -83.22, 65.57 | APE8-rot-na | 33.78 | APE67-dihe-in | -68.72, -13.46 | -60.6, -36.2 | APE12-dist-na | 17.2392 | APE11-dist-na | 19.1688 | APE10-dist-na | 14.3888 | APE9-dist-out | 8.7529 | None | None | None | XRAY | 1.97 | 0.203 | 0.226 | A | 267.0 | 257.0 | 4 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 5jrs | Homo sapiens | TYR_BTK_HUMAN | TYR | 5.7e-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 | 5JRSB | Q06187 | 396 | 655 | 659.0 | 6MV:64000 | Type1 | Inactive | DFGin | 5.9654 | 13.4845 | BLBplus | -124.08, 170.99 | 56.24, 32.66 | -67.77, 127.61 | 36.28, 96.89 | 68.67, 6.72 | out-none | out | 14.8868 | Saltbr-none | 999.0 | HRD-in | -69.59, -54.99 | 82.87, -12.35 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.8699 | ActLoopCT-out | TYR | APEdihe_nooai | APEdist_aaao | APE10-dihe-none | 999.0, -43.7 | APE9-dihe-out | -53.67, -38.72 | APE8-dihe-out | -66.14, 0.13 | APE8-rot-na | 344.61 | APE67-dihe-in | -68.32, -13.38 | -53.75, -36.16 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 17.8185 | APE9-dist-out | 11.039 | None | None | None | XRAY | 1.97 | 0.203 | 0.226 | B | 267.0 | 239.0 | 21 | 29 | 18 | 11 | [[402, 653]] | 1.0 | 5jrs | Homo sapiens | TYR_BTK_HUMAN | TYR | 5.7e-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 |
|---|