| 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 | ERBB2 | ERBB2_HUMAN | 3PP0A | P04626 | 706 | 993 | 1255.0 | 03Q:1 | Type1.5_Back | Inactive | DFGin | 6.1891 | 12.8909 | None | -143.24, -161.48 | 74.0, -72.25 | 62.71, 12.18 | 304.07, 105.53 | -53.57, -26.07 | out-out | out | 10.8314 | Saltbr-out | 6.7356 | HRD-in | -72.52, -43.75 | 67.05, -6.56 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.986 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -66.93, 133.73 | APE9-dihe-in | -132.61, 148.93 | APE8-dihe-in | -81.51, 83.41 | APE8-rot-na | 32.02 | APE67-dihe-in | -73.68, -2.45 | -53.16, -44.04 | APE12-dist-na | 999.0 | APE11-dist-na | 9.4866 | APE10-dist-na | 9.955 | APE9-dist-in | 6.4533 | M706A,Q711L,M712L | None | None | XRAY | 2.25 | 0.189 | 0.26 | A | 338.0 | 286.0 | 2 | 30 | 28 | 2 | [[720, 978]] | 1.0 | 3pp0 | TYR_ERBB2_HUMAN | TYR | 8.5e-86 | 293.4 | 2.0 | 260.0 | 259.0 | 862 | 863 | 864 | 866 | 868 | 753 | 770 | 774 | 842 | 844 | 843 | 845.0 | 904 | 892 | 887 | 886 | 885 | 884 | 883 | 882 | 881 | 799 | Receptor tyrosine-protein kinase erbB-2 |
| TYR | ERBB2 | ERBB2_HUMAN | 3PP0B | P04626 | 706 | 1009 | 1255.0 | 03Q:2 | Type1.5_Back | Inactive | DFGin | 6.5295 | 13.1712 | None | -149.09, -166.81 | 85.39, -78.34 | 67.1, 11.91 | 301.66, 109.6 | -51.94, -39.66 | out-out | out | 10.6441 | Saltbr-out | 6.7399 | HRD-in | -69.4, -53.62 | 79.07, -10.52 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8388 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -97.46, -6.75 | APE9-dihe-in | -77.94, 120.44 | APE8-dihe-in | -61.24, 120.47 | APE8-rot-na | 332.74 | APE67-dihe-in | -74.13, -7.61 | -67.24, -26.94 | APE12-dist-na | 999.0 | APE11-dist-na | 10.6587 | APE10-dist-na | 7.6218 | APE9-dist-in | 5.3485 | M706A,Q711L,M712L | None | None | XRAY | 2.25 | 0.189 | 0.26 | B | 338.0 | 296.0 | 2 | 30 | 28 | 2 | [[720, 978]] | 1.0 | 3pp0 | TYR_ERBB2_HUMAN | TYR | 8.5e-86 | 293.4 | 2.0 | 260.0 | 259.0 | 862 | 863 | 864 | 866 | 868 | 753 | 770 | 774 | 842 | 844 | 843 | 845.0 | 904 | 892 | 887 | 886 | 885 | 884 | 883 | 882 | 881 | 799 | Receptor tyrosine-protein kinase erbB-2 |
| 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 | ERBB2 | ERBB2_HUMAN | 3PP0A | P04626 | 706 | 993 | 1255.0 | 03Q:1 | Type1.5_Back | Inactive | DFGin | 6.1891 | 12.8909 | None | -143.24, -161.48 | 74.0, -72.25 | 62.71, 12.18 | 304.07, 105.53 | -53.57, -26.07 | out-out | out | 10.8314 | Saltbr-out | 6.7356 | HRD-in | -72.52, -43.75 | 67.05, -6.56 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.986 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -66.93, 133.73 | APE9-dihe-in | -132.61, 148.93 | APE8-dihe-in | -81.51, 83.41 | APE8-rot-na | 32.02 | APE67-dihe-in | -73.68, -2.45 | -53.16, -44.04 | APE12-dist-na | 999.0 | APE11-dist-na | 9.4866 | APE10-dist-na | 9.955 | APE9-dist-in | 6.4533 | M706A,Q711L,M712L | None | None | XRAY | 2.25 | 0.189 | 0.26 | A | 338.0 | 286.0 | 2 | 30 | 28 | 2 | [[720, 978]] | 1.0 | 3pp0 | Homo sapiens | TYR_ERBB2_HUMAN | TYR | 8.5e-86 | 293.4 | 2.0 | 260.0 | 259.0 | 862 | 863 | 864 | 866 | 868 | 753 | 770 | 774 | 842 | 844 | 843 | 845.0 | 904 | 892 | 887 | 886 | 885 | 884 | 883 | 882 | 881 | 799 | Receptor tyrosine-protein kinase erbB-2 |
| TYR | ERBB2 | ERBB2_HUMAN | 3PP0B | P04626 | 706 | 1009 | 1255.0 | 03Q:2 | Type1.5_Back | Inactive | DFGin | 6.5295 | 13.1712 | None | -149.09, -166.81 | 85.39, -78.34 | 67.1, 11.91 | 301.66, 109.6 | -51.94, -39.66 | out-out | out | 10.6441 | Saltbr-out | 6.7399 | HRD-in | -69.4, -53.62 | 79.07, -10.52 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8388 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -97.46, -6.75 | APE9-dihe-in | -77.94, 120.44 | APE8-dihe-in | -61.24, 120.47 | APE8-rot-na | 332.74 | APE67-dihe-in | -74.13, -7.61 | -67.24, -26.94 | APE12-dist-na | 999.0 | APE11-dist-na | 10.6587 | APE10-dist-na | 7.6218 | APE9-dist-in | 5.3485 | M706A,Q711L,M712L | None | None | XRAY | 2.25 | 0.189 | 0.26 | B | 338.0 | 296.0 | 2 | 30 | 28 | 2 | [[720, 978]] | 1.0 | 3pp0 | Homo sapiens | TYR_ERBB2_HUMAN | TYR | 8.5e-86 | 293.4 | 2.0 | 260.0 | 259.0 | 862 | 863 | 864 | 866 | 868 | 753 | 770 | 774 | 842 | 844 | 843 | 845.0 | 904 | 892 | 887 | 886 | 885 | 884 | 883 | 882 | 881 | 799 | Receptor tyrosine-protein kinase erbB-2 |
| 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 |
|---|