| 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 | 5BPYA | Q06187 | 396 | 657 | 659.0 | 4UQ:64000 | Type1 | Inactive | DFGin | 6.3602 | 13.3055 | BLBplus | -124.65, 164.88 | 51.29, 37.75 | -70.0, 127.36 | 35.13, 98.17 | 69.78, 12.96 | out-out | out | 15.0418 | Saltbr-out | 16.1326 | HRD-in | -71.75, -58.49 | 82.06, -15.91 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.8951 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -111.29, -6.51 | APE9-dihe-in | -62.22, 139.35 | APE8-dihe-in | -81.26, 69.56 | APE8-rot-na | 30.14 | APE67-dihe-in | -66.47, -13.16 | -61.31, -41.9 | APE12-dist-na | 17.2653 | APE11-dist-na | 19.274 | APE10-dist-na | 14.23 | APE9-dist-out | 8.7636 | None | None | None | XRAY | 2.31 | 0.215 | 0.242 | A | 267.0 | 262.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 5bpy | 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 | 5BPYB | Q06187 | 396 | 657 | 659.0 | 4UQ:64000 | Type1 | Inactive | DFGin | 6.0407 | 13.3553 | BLBplus | -124.21, 164.45 | 49.48, 38.96 | -70.05, 125.98 | 33.54, 98.82 | 68.93, 10.8 | out-none | out | 14.6981 | Saltbr-none | 999.0 | HRD-in | -73.63, -56.78 | 81.23, -14.54 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.9375 | ActLoopCT-out | TYR | APEdihe_nooai | APEdist_aaao | APE10-dihe-none | 999.0, -33.35 | APE9-dihe-out | -59.81, -45.04 | APE8-dihe-out | -62.46, 0.27 | APE8-rot-na | 341.31 | APE67-dihe-in | -65.96, -13.01 | -56.63, -35.64 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 18.1618 | APE9-dist-out | 11.0675 | None | None | None | XRAY | 2.31 | 0.215 | 0.242 | B | 267.0 | 246.0 | 16 | 29 | 18 | 11 | [[402, 653]] | 1.0 | 5bpy | 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 | 5BPYA | Q06187 | 396 | 657 | 659.0 | 4UQ:64000 | Type1 | Inactive | DFGin | 6.3602 | 13.3055 | BLBplus | -124.65, 164.88 | 51.29, 37.75 | -70.0, 127.36 | 35.13, 98.17 | 69.78, 12.96 | out-out | out | 15.0418 | Saltbr-out | 16.1326 | HRD-in | -71.75, -58.49 | 82.06, -15.91 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.8951 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -111.29, -6.51 | APE9-dihe-in | -62.22, 139.35 | APE8-dihe-in | -81.26, 69.56 | APE8-rot-na | 30.14 | APE67-dihe-in | -66.47, -13.16 | -61.31, -41.9 | APE12-dist-na | 17.2653 | APE11-dist-na | 19.274 | APE10-dist-na | 14.23 | APE9-dist-out | 8.7636 | None | None | None | XRAY | 2.31 | 0.215 | 0.242 | A | 267.0 | 262.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 5bpy | 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 | 5BPYB | Q06187 | 396 | 657 | 659.0 | 4UQ:64000 | Type1 | Inactive | DFGin | 6.0407 | 13.3553 | BLBplus | -124.21, 164.45 | 49.48, 38.96 | -70.05, 125.98 | 33.54, 98.82 | 68.93, 10.8 | out-none | out | 14.6981 | Saltbr-none | 999.0 | HRD-in | -73.63, -56.78 | 81.23, -14.54 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.9375 | ActLoopCT-out | TYR | APEdihe_nooai | APEdist_aaao | APE10-dihe-none | 999.0, -33.35 | APE9-dihe-out | -59.81, -45.04 | APE8-dihe-out | -62.46, 0.27 | APE8-rot-na | 341.31 | APE67-dihe-in | -65.96, -13.01 | -56.63, -35.64 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 18.1618 | APE9-dist-out | 11.0675 | None | None | None | XRAY | 2.31 | 0.215 | 0.242 | B | 267.0 | 246.0 | 16 | 29 | 18 | 11 | [[402, 653]] | 1.0 | 5bpy | 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 |
|---|