| 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 | 3P08A | Q06187 | 394 | 658 | 659.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9549 | 13.9444 | BLBplus | -128.06, -177.49 | 61.21, 39.22 | -106.08, 150.25 | 54.53, 96.35 | 80.6, -131.41 | out-out | out | 14.116 | Saltbr-out | 14.9362 | HRD-in | -72.42, -56.09 | 86.22, -18.05 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.5034 | ActLoopCT-out | TYR | APEdihe_niiai | APEdist_aaao | APE10-dihe-none | 999.0, -55.21 | APE9-dihe-in | -164.04, 136.13 | APE8-dihe-in | -66.05, 54.59 | APE8-rot-na | 27.48 | APE67-dihe-in | -71.49, -7.26 | -51.24, -42.79 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 19.3141 | APE9-dist-out | 8.5786 | None | None | None | XRAY | 2.3 | 0.228 | 0.278 | A | 267.0 | 252.0 | 13 | 29 | 16 | 13 | [[402, 653]] | 1.0 | 3p08 | 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 | 3P08B | Q06187 | 395 | 658 | 659.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9243 | 13.8923 | BLBplus | -127.17, -176.76 | 62.02, 37.83 | -105.43, 144.29 | 55.2, 95.38 | 69.79, -51.59 | out-out | out | 14.0388 | Saltbr-out | 15.0143 | HRD-in | -68.66, -56.62 | 86.42, -18.8 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.4665 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 133.87 | APE8-dihe-in | -65.06, 55.73 | APE8-rot-na | 340.87 | APE67-dihe-in | -75.43, -6.18 | -53.16, -39.52 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 8.4743 | None | None | None | XRAY | 2.3 | 0.228 | 0.278 | B | 267.0 | 258.0 | 6 | 29 | 23 | 6 | [[402, 653]] | 1.0 | 3p08 | 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 | 3P08A | Q06187 | 394 | 658 | 659.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9549 | 13.9444 | BLBplus | -128.06, -177.49 | 61.21, 39.22 | -106.08, 150.25 | 54.53, 96.35 | 80.6, -131.41 | out-out | out | 14.116 | Saltbr-out | 14.9362 | HRD-in | -72.42, -56.09 | 86.22, -18.05 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.5034 | ActLoopCT-out | TYR | APEdihe_niiai | APEdist_aaao | APE10-dihe-none | 999.0, -55.21 | APE9-dihe-in | -164.04, 136.13 | APE8-dihe-in | -66.05, 54.59 | APE8-rot-na | 27.48 | APE67-dihe-in | -71.49, -7.26 | -51.24, -42.79 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 19.3141 | APE9-dist-out | 8.5786 | None | None | None | XRAY | 2.3 | 0.228 | 0.278 | A | 267.0 | 252.0 | 13 | 29 | 16 | 13 | [[402, 653]] | 1.0 | 3p08 | 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 | 3P08B | Q06187 | 395 | 658 | 659.0 | No_ligand | No_ligand | Inactive | DFGin | 5.9243 | 13.8923 | BLBplus | -127.17, -176.76 | 62.02, 37.83 | -105.43, 144.29 | 55.2, 95.38 | 69.79, -51.59 | out-out | out | 14.0388 | Saltbr-out | 15.0143 | HRD-in | -68.66, -56.62 | 86.42, -18.8 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.4665 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 133.87 | APE8-dihe-in | -65.06, 55.73 | APE8-rot-na | 340.87 | APE67-dihe-in | -75.43, -6.18 | -53.16, -39.52 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 8.4743 | None | None | None | XRAY | 2.3 | 0.228 | 0.278 | B | 267.0 | 258.0 | 6 | 29 | 23 | 6 | [[402, 653]] | 1.0 | 3p08 | 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 |
|---|