| 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 | 3RCDB | P04626 | 713 | 1010 | 1255.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2562 | 11.5226 | BLAminus | -162.6, -165.98 | 69.09, 34.02 | -51.41, 70.59 | 347.73, 81.5 | 31.46, 999.0 | out-out | out | 13.7947 | Saltbr-out | 12.0493 | HRD-in | -50.78, -58.3 | 87.17, -54.04 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, -57.16 | APE8-dihe-in | -79.63, 85.56 | APE8-rot-na | 30.88 | APE67-dihe-in | -73.13, -19.0 | -76.27, -37.86 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 10.4587 | None | None | None | XRAY | 3.21 | 0.227 | 0.294 | B | 338.0 | 268.0 | 22 | 30 | 12 | 18 | [[720, 978]] | 1.0 | 3rcd | 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 | 3RCDD | P04626 | 713 | 1010 | 1255.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2379 | 11.4943 | BLAminus | -162.12, -166.04 | 68.93, 33.06 | -50.02, 70.36 | 348.11, 80.81 | 32.92, 999.0 | out-out | out | 13.8024 | Saltbr-out | 12.0259 | HRD-in | -49.69, -57.8 | 88.91, -54.81 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, -58.76 | APE8-dihe-in | -79.29, 85.84 | APE8-rot-na | 29.28 | APE67-dihe-in | -73.16, -18.62 | -76.57, -38.56 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 10.542 | None | None | None | XRAY | 3.21 | 0.227 | 0.294 | D | 338.0 | 268.0 | 22 | 30 | 12 | 18 | [[720, 978]] | 1.0 | 3rcd | 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 | 3RCDA | P04626 | 713 | 1022 | 1255.0 | 03P:69001 | Type1.5_Back | Inactive | DFGin | 7.3275 | 12.7836 | None | -131.6, -178.33 | 92.87, -78.83 | 17.87, 80.88 | 36.71, 96.9 | 175.62, 84.65 | out-out | out | 12.7748 | Saltbr-out | 10.1037 | HRD-in | -81.36, -50.25 | 83.34, -29.6 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 32.08 | APE8-dihe-in | -80.8, 92.84 | APE8-rot-na | 32.85 | APE67-dihe-in | -72.62, -9.61 | -71.44, -35.88 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 8.7735 | None | None | None | XRAY | 3.21 | 0.227 | 0.294 | A | 338.0 | 278.0 | 21 | 30 | 13 | 17 | [[720, 978]] | 1.0 | 3rcd | 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 | 3RCDC | P04626 | 713 | 1022 | 1255.0 | 03P:69001 | Type1.5_Back | Inactive | DFGin | 7.2988 | 12.8076 | None | -129.48, -177.14 | 93.53, -78.44 | 17.53, 81.66 | 36.39, 96.61 | 174.11, 84.1 | out-out | out | 12.7623 | Saltbr-out | 10.1811 | HRD-in | -79.56, -52.25 | 82.81, -26.53 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 30.75 | APE8-dihe-in | -78.7, 91.19 | APE8-rot-na | 32.27 | APE67-dihe-in | -71.69, -11.86 | -69.94, -35.67 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 8.6837 | None | None | None | XRAY | 3.21 | 0.227 | 0.294 | C | 338.0 | 278.0 | 21 | 30 | 13 | 17 | [[720, 978]] | 1.0 | 3rcd | 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 | 3RCDB | P04626 | 713 | 1010 | 1255.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2562 | 11.5226 | BLAminus | -162.6, -165.98 | 69.09, 34.02 | -51.41, 70.59 | 347.73, 81.5 | 31.46, 999.0 | out-out | out | 13.7947 | Saltbr-out | 12.0493 | HRD-in | -50.78, -58.3 | 87.17, -54.04 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, -57.16 | APE8-dihe-in | -79.63, 85.56 | APE8-rot-na | 30.88 | APE67-dihe-in | -73.13, -19.0 | -76.27, -37.86 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 10.4587 | None | None | None | XRAY | 3.21 | 0.227 | 0.294 | B | 338.0 | 268.0 | 22 | 30 | 12 | 18 | [[720, 978]] | 1.0 | 3rcd | 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 | 3RCDD | P04626 | 713 | 1010 | 1255.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2379 | 11.4943 | BLAminus | -162.12, -166.04 | 68.93, 33.06 | -50.02, 70.36 | 348.11, 80.81 | 32.92, 999.0 | out-out | out | 13.8024 | Saltbr-out | 12.0259 | HRD-in | -49.69, -57.8 | 88.91, -54.81 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, -58.76 | APE8-dihe-in | -79.29, 85.84 | APE8-rot-na | 29.28 | APE67-dihe-in | -73.16, -18.62 | -76.57, -38.56 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 10.542 | None | None | None | XRAY | 3.21 | 0.227 | 0.294 | D | 338.0 | 268.0 | 22 | 30 | 12 | 18 | [[720, 978]] | 1.0 | 3rcd | 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 | 3RCDA | P04626 | 713 | 1022 | 1255.0 | 03P:69001 | Type1.5_Back | Inactive | DFGin | 7.3275 | 12.7836 | None | -131.6, -178.33 | 92.87, -78.83 | 17.87, 80.88 | 36.71, 96.9 | 175.62, 84.65 | out-out | out | 12.7748 | Saltbr-out | 10.1037 | HRD-in | -81.36, -50.25 | 83.34, -29.6 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 32.08 | APE8-dihe-in | -80.8, 92.84 | APE8-rot-na | 32.85 | APE67-dihe-in | -72.62, -9.61 | -71.44, -35.88 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 8.7735 | None | None | None | XRAY | 3.21 | 0.227 | 0.294 | A | 338.0 | 278.0 | 21 | 30 | 13 | 17 | [[720, 978]] | 1.0 | 3rcd | 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 | 3RCDC | P04626 | 713 | 1022 | 1255.0 | 03P:69001 | Type1.5_Back | Inactive | DFGin | 7.2988 | 12.8076 | None | -129.48, -177.14 | 93.53, -78.44 | 17.53, 81.66 | 36.39, 96.61 | 174.11, 84.1 | out-out | out | 12.7623 | Saltbr-out | 10.1811 | HRD-in | -79.56, -52.25 | 82.81, -26.53 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 30.75 | APE8-dihe-in | -78.7, 91.19 | APE8-rot-na | 32.27 | APE67-dihe-in | -71.69, -11.86 | -69.94, -35.67 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 8.6837 | None | None | None | XRAY | 3.21 | 0.227 | 0.294 | C | 338.0 | 278.0 | 21 | 30 | 13 | 17 | [[720, 978]] | 1.0 | 3rcd | 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 |
|---|