Data items in the PDBX_VALIDATE_TORSION category list the residues with torsion angles outside the expected ramachandran regions Example 1 <PDBx:pdbx_validate_torsionCategory> <PDBx:pdbx_validate_torsion 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>SER</PDBx:auth_comp_id> <PDBx:auth_seq_id>12</PDBx:auth_seq_id> <PDBx:phi>-64.75</PDBx:phi> <PDBx:psi>2.02</PDBx:psi> </PDBx:pdbx_validate_torsion> <PDBx:pdbx_validate_torsion 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>THR</PDBx:auth_comp_id> <PDBx:auth_seq_id>22</PDBx:auth_seq_id> <PDBx:phi>-116.30</PDBx:phi> <PDBx:psi>61.44</PDBx:psi> </PDBx:pdbx_validate_torsion> </PDBx:pdbx_validate_torsionCategory> |
<xsd:complexType name="pdbx_validate_torsionType"> <xsd:annotation> <xsd:documentation xml:lang="en">Data items in the PDBX_VALIDATE_TORSION category list the residues with torsion angles outside the expected ramachandran regions Example 1 <PDBx:pdbx_validate_torsionCategory> <PDBx:pdbx_validate_torsion 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>SER</PDBx:auth_comp_id> <PDBx:auth_seq_id>12</PDBx:auth_seq_id> <PDBx:phi>-64.75</PDBx:phi> <PDBx:psi>2.02</PDBx:psi> </PDBx:pdbx_validate_torsion> <PDBx:pdbx_validate_torsion 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>THR</PDBx:auth_comp_id> <PDBx:auth_seq_id>22</PDBx:auth_seq_id> <PDBx:phi>-116.30</PDBx:phi> <PDBx:psi>61.44</PDBx:psi> </PDBx:pdbx_validate_torsion> </PDBx:pdbx_validate_torsionCategory></xsd:documentation> </xsd:annotation> <xsd:sequence> <xsd:element name="pdbx_validate_torsion" 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 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 residue 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 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 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 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 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="phi" minOccurs="1" maxOccurs="1"> <xsd:annotation> <xsd:documentation xml:lang="en">The Phi value that for the residue that lies outside normal limits (in combination with the Psi value) with regards to the rammachandran plot</xsd:documentation> </xsd:annotation> <xsd:simpleType> <xsd:restriction base="xsd:decimal"> <xsd:minInclusive value="-180.0"/> <xsd:maxInclusive value="180.0"/> </xsd:restriction> </xsd:simpleType> </xsd:element> <xsd:element name="psi" minOccurs="1" maxOccurs="1"> <xsd:annotation> <xsd:documentation xml:lang="en">The Psi value that for the residue that lies outside normal limits (in combination with the Phi value) with regards to the rammachandran plot</xsd:documentation> </xsd:annotation> <xsd:simpleType> <xsd:restriction base="xsd:decimal"> <xsd:minInclusive value="-180.0"/> <xsd:maxInclusive value="180.0"/> </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_torsion must uniquely identify each item in the PDBX_VALIDATE_TORSION list. This is an integer serial number.</xsd:documentation> </xsd:annotation> </xsd:attribute> </xsd:complexType> </xsd:element> </xsd:sequence> </xsd:complexType> |