Data items in the PDBX_VALIDATE_PLANES category list the residues that contain unexpected deviations from planes centers. Example 1 <PDBx:pdbx_validate_planesCategory> <PDBx:pdbx_validate_planes id="1"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:auth_asym_id>A</PDBx:auth_asym_id> <PDBx:auth_comp_id>DG</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:rmsd>0.068</PDBx:rmsd> <PDBx:type>SIDE CHAIN</PDBx:type> </PDBx:pdbx_validate_planes> <PDBx:pdbx_validate_planes id="2"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:auth_asym_id>A</PDBx:auth_asym_id> <PDBx:auth_comp_id>DT</PDBx:auth_comp_id> <PDBx:auth_seq_id>4</PDBx:auth_seq_id> <PDBx:rmsd>0.198</PDBx:rmsd> <PDBx:type>SIDE CHAIN</PDBx:type> </PDBx:pdbx_validate_planes> <PDBx:pdbx_validate_planes id="3"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:auth_asym_id>A</PDBx:auth_asym_id> <PDBx:auth_comp_id>DC</PDBx:auth_comp_id> <PDBx:auth_seq_id>8</PDBx:auth_seq_id> <PDBx:rmsd>0.090</PDBx:rmsd> <PDBx:type>SIDE CHAIN</PDBx:type> </PDBx:pdbx_validate_planes> </PDBx:pdbx_validate_planesCategory> |
<xsd:complexType name="pdbx_validate_planesType"> <xsd:annotation> <xsd:documentation xml:lang="en">Data items in the PDBX_VALIDATE_PLANES category list the residues that contain unexpected deviations from planes centers. Example 1 <PDBx:pdbx_validate_planesCategory> <PDBx:pdbx_validate_planes id="1"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:auth_asym_id>A</PDBx:auth_asym_id> <PDBx:auth_comp_id>DG</PDBx:auth_comp_id> <PDBx:auth_seq_id>3</PDBx:auth_seq_id> <PDBx:rmsd>0.068</PDBx:rmsd> <PDBx:type>SIDE CHAIN</PDBx:type> </PDBx:pdbx_validate_planes> <PDBx:pdbx_validate_planes id="2"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:auth_asym_id>A</PDBx:auth_asym_id> <PDBx:auth_comp_id>DT</PDBx:auth_comp_id> <PDBx:auth_seq_id>4</PDBx:auth_seq_id> <PDBx:rmsd>0.198</PDBx:rmsd> <PDBx:type>SIDE CHAIN</PDBx:type> </PDBx:pdbx_validate_planes> <PDBx:pdbx_validate_planes id="3"> <PDBx:PDB_ins_code xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:auth_asym_id>A</PDBx:auth_asym_id> <PDBx:auth_comp_id>DC</PDBx:auth_comp_id> <PDBx:auth_seq_id>8</PDBx:auth_seq_id> <PDBx:rmsd>0.090</PDBx:rmsd> <PDBx:type>SIDE CHAIN</PDBx:type> </PDBx:pdbx_validate_planes> </PDBx:pdbx_validate_planesCategory></xsd:documentation> </xsd:annotation> <xsd:sequence> <xsd:element name="pdbx_validate_planes" 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 the residue in which the plane is calculated This data item is a pointer to attribute pdbx_PDB_ins_code in category atom_site in the ATOM_SITE category.</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 the given angle 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="auth_asym_id" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of the residue in which the plane is calculated 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_comp_id" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of the residue in which the plane is calculated 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 the residue in which the plane is calculated 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="label_alt_id" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Optional identifier of the residue in which the plane is calculated This data item is a pointer to attribute label_alt_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="rmsd" minOccurs="1" maxOccurs="1"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of the overall deviation from ideal plane for the atoms defining the plane.</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="type" minOccurs="1" maxOccurs="1"> <xsd:annotation> <xsd:documentation xml:lang="en">The type of plane - MAIN CHAIN or SIDE CHAIN atoms</xsd:documentation> </xsd:annotation> <xsd:simpleType> <xsd:restriction base="xsd:string"> <xsd:enumeration value="MAIN_CHAIN"/> <xsd:enumeration value="SIDE_CHAIN"/> <xsd:enumeration value="MAIN CHAIN"/> <xsd:enumeration value="SIDE CHAIN"/> </xsd:restriction> </xsd:simpleType> </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 must uniquely identify each item in the PDBX_VALIDATE_PLANES list. This is an integer serial number.</xsd:documentation> </xsd:annotation> </xsd:attribute> </xsd:complexType> </xsd:element> </xsd:sequence> </xsd:complexType> |