| 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 | 6X3OA | Q06187 | 395 | 659 | 659.0 | ULY:701,5WE:702 | Type1.5_Front,Allosteric | Inactive | DFGin | 6.2723 | 14.2227 | BLBplus | -137.77, 172.12 | 61.73, 21.35 | -60.85, 127.83 | 37.95, 92.24 | 73.87, -6.38 | out-out | out | 15.17 | Saltbr-out | 16.0811 | HRD-in | -75.67, -53.5 | 81.79, -14.06 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.4586 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -109.73, 7.42 | APE9-dihe-in | -70.0, 142.33 | APE8-dihe-in | -75.39, 64.77 | APE8-rot-na | 34.47 | APE67-dihe-in | -69.38, -11.52 | -56.58, -43.22 | APE12-dist-na | 16.806 | APE11-dist-na | 18.6039 | APE10-dist-na | 13.6409 | APE9-dist-out | 8.5906 | None | None | None | XRAY | 1.9 | 0.181 | 0.213 | A | 271.0 | 265.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 6x3o | TYR_BTK_HUMAN | TYR | 6e-93 | 316.8 | 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 | 6X3OB | Q06187 | 393 | 659 | 659.0 | ULY:701,5WE:702 | Type1.5_Front,Allosteric | Inactive | DFGin | 6.2875 | 14.0893 | BLBplus | -138.35, 171.76 | 61.86, 21.21 | -60.49, 128.12 | 38.08, 92.33 | 72.6, -5.67 | out-out | out | 15.3768 | Saltbr-out | 16.6794 | HRD-in | -75.8, -53.34 | 80.45, -11.96 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.3968 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -114.41, 10.63 | APE9-dihe-in | -69.48, 144.31 | APE8-dihe-in | -76.78, 65.24 | APE8-rot-na | 34.23 | APE67-dihe-in | -70.15, -10.73 | -56.21, -43.96 | APE12-dist-na | 16.68 | APE11-dist-na | 18.4631 | APE10-dist-na | 13.5744 | APE9-dist-out | 8.483 | None | None | None | XRAY | 1.9 | 0.181 | 0.213 | B | 271.0 | 267.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 6x3o | TYR_BTK_HUMAN | TYR | 6e-93 | 316.8 | 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 | 6X3OA | Q06187 | 395 | 659 | 659.0 | ULY:701,5WE:702 | Type1.5_Front,Allosteric | Inactive | DFGin | 6.2723 | 14.2227 | BLBplus | -137.77, 172.12 | 61.73, 21.35 | -60.85, 127.83 | 37.95, 92.24 | 73.87, -6.38 | out-out | out | 15.17 | Saltbr-out | 16.0811 | HRD-in | -75.67, -53.5 | 81.79, -14.06 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.4586 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -109.73, 7.42 | APE9-dihe-in | -70.0, 142.33 | APE8-dihe-in | -75.39, 64.77 | APE8-rot-na | 34.47 | APE67-dihe-in | -69.38, -11.52 | -56.58, -43.22 | APE12-dist-na | 16.806 | APE11-dist-na | 18.6039 | APE10-dist-na | 13.6409 | APE9-dist-out | 8.5906 | None | None | None | XRAY | 1.9 | 0.181 | 0.213 | A | 271.0 | 265.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 6x3o | Homo sapiens | TYR_BTK_HUMAN | TYR | 6e-93 | 316.8 | 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 | 6X3OB | Q06187 | 393 | 659 | 659.0 | ULY:701,5WE:702 | Type1.5_Front,Allosteric | Inactive | DFGin | 6.2875 | 14.0893 | BLBplus | -138.35, 171.76 | 61.86, 21.21 | -60.49, 128.12 | 38.08, 92.33 | 72.6, -5.67 | out-out | out | 15.3768 | Saltbr-out | 16.6794 | HRD-in | -75.8, -53.34 | 80.45, -11.96 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.3968 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -114.41, 10.63 | APE9-dihe-in | -69.48, 144.31 | APE8-dihe-in | -76.78, 65.24 | APE8-rot-na | 34.23 | APE67-dihe-in | -70.15, -10.73 | -56.21, -43.96 | APE12-dist-na | 16.68 | APE11-dist-na | 18.4631 | APE10-dist-na | 13.5744 | APE9-dist-out | 8.483 | None | None | None | XRAY | 1.9 | 0.181 | 0.213 | B | 271.0 | 267.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 6x3o | Homo sapiens | TYR_BTK_HUMAN | TYR | 6e-93 | 316.8 | 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 |
|---|