| 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 | 4NWMA | Q06187 | 396 | 657 | 659.0 | 2P5:60701 | Type1 | Inactive | DFGin | 6.2366 | 13.5473 | BLBplus | -124.36, 162.2 | 58.0, 30.8 | -65.9, 131.67 | 37.39, 93.38 | 75.76, -5.81 | out-none | out | 15.7388 | Saltbr-none | 999.0 | HRD-in | -75.22, -56.08 | 81.81, -11.35 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.4406 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -104.06, -3.18 | APE9-dihe-in | -62.5, 137.94 | APE8-dihe-in | -76.17, 67.69 | APE8-rot-na | 29.81 | APE67-dihe-in | -67.16, -10.51 | -55.62, -44.66 | APE12-dist-na | 17.5081 | APE11-dist-na | 19.1435 | APE10-dist-na | 14.0443 | APE9-dist-out | 8.5218 | None | None | OCS481 | XRAY | 2.03 | 0.197 | 0.234 | A | 263.0 | 261.0 | 1 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 4nwm | 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 | 4NWMB | Q06187 | 396 | 657 | 659.0 | 2P5:60701 | Type1 | Inactive | DFGin | 6.136 | 13.8027 | BLBplus | -123.62, 161.4 | 58.54, 30.74 | -65.95, 131.21 | 37.43, 94.6 | 74.49, -3.43 | out-none | out | 14.7614 | Saltbr-none | 999.0 | HRD-in | -74.43, -56.79 | 83.89, -12.84 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.4869 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -104.71, -3.65 | APE9-dihe-in | -64.14, 139.49 | APE8-dihe-in | -76.31, 69.39 | APE8-rot-na | 29.79 | APE67-dihe-in | -66.98, -8.96 | -53.75, -47.41 | APE12-dist-na | 17.2896 | APE11-dist-na | 19.1988 | APE10-dist-na | 14.1826 | APE9-dist-out | 8.4816 | None | None | OCS481 | XRAY | 2.03 | 0.197 | 0.234 | B | 263.0 | 261.0 | 1 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 4nwm | 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 | 4NWMA | Q06187 | 396 | 657 | 659.0 | 2P5:60701 | Type1 | Inactive | DFGin | 6.2366 | 13.5473 | BLBplus | -124.36, 162.2 | 58.0, 30.8 | -65.9, 131.67 | 37.39, 93.38 | 75.76, -5.81 | out-none | out | 15.7388 | Saltbr-none | 999.0 | HRD-in | -75.22, -56.08 | 81.81, -11.35 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.4406 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -104.06, -3.18 | APE9-dihe-in | -62.5, 137.94 | APE8-dihe-in | -76.17, 67.69 | APE8-rot-na | 29.81 | APE67-dihe-in | -67.16, -10.51 | -55.62, -44.66 | APE12-dist-na | 17.5081 | APE11-dist-na | 19.1435 | APE10-dist-na | 14.0443 | APE9-dist-out | 8.5218 | None | None | OCS481 | XRAY | 2.03 | 0.197 | 0.234 | A | 263.0 | 261.0 | 1 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 4nwm | 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 | 4NWMB | Q06187 | 396 | 657 | 659.0 | 2P5:60701 | Type1 | Inactive | DFGin | 6.136 | 13.8027 | BLBplus | -123.62, 161.4 | 58.54, 30.74 | -65.95, 131.21 | 37.43, 94.6 | 74.49, -3.43 | out-none | out | 14.7614 | Saltbr-none | 999.0 | HRD-in | -74.43, -56.79 | 83.89, -12.84 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.4869 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -104.71, -3.65 | APE9-dihe-in | -64.14, 139.49 | APE8-dihe-in | -76.31, 69.39 | APE8-rot-na | 29.79 | APE67-dihe-in | -66.98, -8.96 | -53.75, -47.41 | APE12-dist-na | 17.2896 | APE11-dist-na | 19.1988 | APE10-dist-na | 14.1826 | APE9-dist-out | 8.4816 | None | None | OCS481 | XRAY | 2.03 | 0.197 | 0.234 | B | 263.0 | 261.0 | 1 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 4nwm | 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 |
|---|