| 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 | 6S90A | Q06187 | 395 | 656 | 659.0 | L0Z:701 | Type1 | Inactive | DFGin | 6.1122 | 13.79 | BLBplus | -115.31, 156.37 | 55.47, 33.74 | -62.04, 130.58 | 34.96, 96.83 | 75.01, -11.68 | out-out | out | 16.0674 | Saltbr-out | 16.1976 | HRD-in | -72.51, -52.76 | 82.17, -15.84 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.4778 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -106.99, -6.85 | APE9-dihe-in | -64.19, 138.56 | APE8-dihe-in | -76.5, 60.12 | APE8-rot-na | 32.24 | APE67-dihe-in | -73.04, -6.49 | -53.3, -46.98 | APE12-dist-na | 17.3407 | APE11-dist-na | 18.6749 | APE10-dist-na | 13.5553 | APE9-dist-out | 8.3686 | None | None | None | XRAY | 1.82 | 0.169 | 0.201 | A | 266.0 | 262.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 6s90 | 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 | 6S90B | Q06187 | 395 | 656 | 659.0 | L0Z:701 | Type1 | Inactive | DFGin | 6.1085 | 13.8622 | BLBplus | -116.19, 155.66 | 56.11, 33.52 | -61.22, 131.45 | 35.37, 97.17 | 75.29, -12.88 | out-out | out | 16.087 | Saltbr-out | 16.1894 | HRD-in | -72.06, -53.36 | 83.12, -14.11 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.4687 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -104.9, -7.1 | APE9-dihe-in | -63.27, 138.96 | APE8-dihe-in | -77.53, 59.25 | APE8-rot-na | 32.06 | APE67-dihe-in | -69.99, -10.14 | -54.04, -43.78 | APE12-dist-na | 17.3739 | APE11-dist-na | 18.7144 | APE10-dist-na | 13.5827 | APE9-dist-out | 8.3819 | None | None | None | XRAY | 1.82 | 0.169 | 0.201 | B | 266.0 | 262.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 6s90 | 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 | 6S90A | Q06187 | 395 | 656 | 659.0 | L0Z:701 | Type1 | Inactive | DFGin | 6.1122 | 13.79 | BLBplus | -115.31, 156.37 | 55.47, 33.74 | -62.04, 130.58 | 34.96, 96.83 | 75.01, -11.68 | out-out | out | 16.0674 | Saltbr-out | 16.1976 | HRD-in | -72.51, -52.76 | 82.17, -15.84 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.4778 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -106.99, -6.85 | APE9-dihe-in | -64.19, 138.56 | APE8-dihe-in | -76.5, 60.12 | APE8-rot-na | 32.24 | APE67-dihe-in | -73.04, -6.49 | -53.3, -46.98 | APE12-dist-na | 17.3407 | APE11-dist-na | 18.6749 | APE10-dist-na | 13.5553 | APE9-dist-out | 8.3686 | None | None | None | XRAY | 1.82 | 0.169 | 0.201 | A | 266.0 | 262.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 6s90 | 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 | 6S90B | Q06187 | 395 | 656 | 659.0 | L0Z:701 | Type1 | Inactive | DFGin | 6.1085 | 13.8622 | BLBplus | -116.19, 155.66 | 56.11, 33.52 | -61.22, 131.45 | 35.37, 97.17 | 75.29, -12.88 | out-out | out | 16.087 | Saltbr-out | 16.1894 | HRD-in | -72.06, -53.36 | 83.12, -14.11 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.4687 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -104.9, -7.1 | APE9-dihe-in | -63.27, 138.96 | APE8-dihe-in | -77.53, 59.25 | APE8-rot-na | 32.06 | APE67-dihe-in | -69.99, -10.14 | -54.04, -43.78 | APE12-dist-na | 17.3739 | APE11-dist-na | 18.7144 | APE10-dist-na | 13.5827 | APE9-dist-out | 8.3819 | None | None | None | XRAY | 1.82 | 0.169 | 0.201 | B | 266.0 | 262.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 6s90 | 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 |
|---|