Data items in the PDBX_VALIDATE_PLANES_ATOM category list the residues that contain unexpected deviations from planes centers. Example 1 <PDBx:pdbx_validate_planes_atomCategory> <PDBx:pdbx_validate_planes_atom id="1"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.003</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>N1</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="2"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.011</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>C2</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="3"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.074</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>N2</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="4"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.005</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>N3</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="5"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.010</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>C4</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="6"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.029</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>C5</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="7"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.039</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>C6</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="8"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.074</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>O6</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="9"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.050</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>N7</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="10"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.129</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>C8</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="11"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.033</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>N9</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="12"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.147</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>C1'</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="1"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.069</PDBx:atom_deviation> <PDBx:auth_asym_id>DT</PDBx:auth_asym_id> <PDBx:auth_atom_id>N1</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>4</PDBx:auth_seq_id> <PDBx:plane_id>2</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> </PDBx:pdbx_validate_planes_atomCategory> |
<xsd:complexType name="pdbx_validate_planes_atomType"> <xsd:annotation> <xsd:documentation xml:lang="en">Data items in the PDBX_VALIDATE_PLANES_ATOM category list the residues that contain unexpected deviations from planes centers. Example 1 <PDBx:pdbx_validate_planes_atomCategory> <PDBx:pdbx_validate_planes_atom id="1"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.003</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>N1</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="2"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.011</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>C2</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="3"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.074</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>N2</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="4"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.005</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>N3</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="5"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.010</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>C4</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="6"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.029</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>C5</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="7"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.039</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>C6</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="8"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.074</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>O6</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="9"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.050</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>N7</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="10"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.129</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>C8</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="11"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.033</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>N9</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="12"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.147</PDBx:atom_deviation> <PDBx:auth_asym_id>DG</PDBx:auth_asym_id> <PDBx:auth_atom_id>C1'</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:plane_id>1</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> <PDBx:pdbx_validate_planes_atom id="1"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:atom_deviation>0.069</PDBx:atom_deviation> <PDBx:auth_asym_id>DT</PDBx:auth_asym_id> <PDBx:auth_atom_id>N1</PDBx:auth_atom_id> <PDBx:auth_comp_id>A</PDBx:auth_comp_id> <PDBx:auth_seq_id>4</PDBx:auth_seq_id> <PDBx:plane_id>2</PDBx:plane_id> </PDBx:pdbx_validate_planes_atom> </PDBx:pdbx_validate_planes_atomCategory></xsd:documentation> </xsd:annotation> <xsd:sequence> <xsd:element name="pdbx_validate_planes_atom" minOccurs="0" maxOccurs="unbounded"> <xsd:complexType> <xsd:all> <xsd:element name="PDB_ins_code" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Optional identifier of an atom site that defines the plane</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="PDB_model_num" minOccurs="1" maxOccurs="1" type="xsd:integer"> <xsd:annotation> <xsd:documentation xml:lang="en">The model number for an atom site defining the plane This data item is a pointer to attribute pdbx_PDB_model_num in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="atom_deviation" minOccurs="1" maxOccurs="1"> <xsd:annotation> <xsd:documentation xml:lang="en">The deviation from the plane per atom</xsd:documentation> </xsd:annotation> <xsd:complexType> <xsd:simpleContent> <xsd:extension base="xsd:decimal"> <xsd:attribute fixed="angstroms_squared" name="units" type="xsd:string" use="optional"/> </xsd:extension> </xsd:simpleContent> </xsd:complexType> </xsd:element> <xsd:element name="auth_asym_id" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of an atom site that defines the plane This data item is a pointer to attribute auth_asym_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="auth_atom_id" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of an atom site that defines the plane This data item is a pointer to attribute auth_atom_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="auth_comp_id" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of an atom site that defines the plane This data item is a pointer to attribute auth_comp_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="auth_seq_id" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of an atom site that defines the plane This data item is a pointer to attribute auth_seq_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="plane_id" minOccurs="1" maxOccurs="1" type="xsd:integer"> <xsd:annotation> <xsd:documentation xml:lang="en">A pointer to attribute id in category pdbx_validate_planes This is an integer serial number.</xsd:documentation> </xsd:annotation> </xsd:element> </xsd:all> <xsd:attribute name="id" use="required" type="xsd:integer"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of attribute id in category pdbx_validate_planes_atom must uniquely identify each item in the PDBX_VALIDATE_PLANES_ATOM list. This is an integer serial number.</xsd:documentation> </xsd:annotation> </xsd:attribute> </xsd:complexType> </xsd:element> </xsd:sequence> </xsd:complexType> |