PDBx:pdbx_validate_rmsd_angleType

<xsd:complexType name="pdbx_validate_rmsd_angleType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Data items in the PDBX_VALIDATE_RMSD_ANGLE category list the the covalent bond angles found in an entry that have values which deviate from expected values by more than 6*rmsd for the particular entry from the expected standard value Example 1 <PDBx:pdbx_validate_rmsd_angleCategory> <PDBx:pdbx_validate_rmsd_angle id="1"> <PDBx:PDB_ins_code_1 xsi:nil="true" /> <PDBx:PDB_ins_code_2 xsi:nil="true" /> <PDBx:PDB_ins_code_3 xsi:nil="true" /> <PDBx:PDB_model_num>0</PDBx:PDB_model_num> <PDBx:angle_deviation>-3.14</PDBx:angle_deviation> <PDBx:angle_value>117.16</PDBx:angle_value> <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1> <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2> <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3> <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1> <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2> <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3> <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1> <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2> <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3> <PDBx:auth_seq_id_1>35</PDBx:auth_seq_id_1> <PDBx:auth_seq_id_2>35</PDBx:auth_seq_id_2> <PDBx:auth_seq_id_3>35</PDBx:auth_seq_id_3> <PDBx:label_alt_id_1 xsi:nil="true" /> <PDBx:label_alt_id_2 xsi:nil="true" /> <PDBx:label_alt_id_3 xsi:nil="true" /> <PDBx:linker_flag>N</PDBx:linker_flag> </PDBx:pdbx_validate_rmsd_angle> <PDBx:pdbx_validate_rmsd_angle id="2"> <PDBx:PDB_ins_code_1 xsi:nil="true" /> <PDBx:PDB_ins_code_2 xsi:nil="true" /> <PDBx:PDB_ins_code_3 xsi:nil="true" /> <PDBx:PDB_model_num>0</PDBx:PDB_model_num> <PDBx:angle_deviation>34.68</PDBx:angle_deviation> <PDBx:angle_value>148.88</PDBx:angle_value> <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1> <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2> <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3> <PDBx:auth_atom_id_1>CB</PDBx:auth_atom_id_1> <PDBx:auth_atom_id_2>CG</PDBx:auth_atom_id_2> <PDBx:auth_atom_id_3>CD</PDBx:auth_atom_id_3> <PDBx:auth_comp_id_1>GLU</PDBx:auth_comp_id_1> <PDBx:auth_comp_id_2>GLU</PDBx:auth_comp_id_2> <PDBx:auth_comp_id_3>GLU</PDBx:auth_comp_id_3> <PDBx:auth_seq_id_1>166</PDBx:auth_seq_id_1> <PDBx:auth_seq_id_2>166</PDBx:auth_seq_id_2> <PDBx:auth_seq_id_3>166</PDBx:auth_seq_id_3> <PDBx:label_alt_id_1 xsi:nil="true" /> <PDBx:label_alt_id_2 xsi:nil="true" /> <PDBx:label_alt_id_3 xsi:nil="true" /> <PDBx:linker_flag>N</PDBx:linker_flag> </PDBx:pdbx_validate_rmsd_angle> </PDBx:pdbx_validate_rmsd_angleCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="pdbx_validate_rmsd_angle" minOccurs="0" maxOccurs="unbounded">
      <xsd:complexType>
        <xsd:all>
          <xsd:element name="PDB_ins_code_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Optional identifier of the first of the three atom sites that define the angle. 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_ins_code_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Optional identifier of the second of the three atom sites that define the angle. 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_ins_code_3" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Optional identifier of the third of the three atom sites that define the angle. 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</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="angle_deviation" minOccurs="1" maxOccurs="1">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Value of the deviation (in degrees) from 6*REBI for the angle bounded by the three sites from the expected dictionary value.</xsd:documentation>
            </xsd:annotation>
            <xsd:complexType>
              <xsd:simpleContent>
                <xsd:extension base="xsd:decimal">
                  <xsd:attribute fixed="degrees" name="units" type="xsd:string" use="optional"/>
                </xsd:extension>
              </xsd:simpleContent>
            </xsd:complexType>
          </xsd:element>
          <xsd:element name="angle_standard_deviation" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The uncertainty in the target value of the bond angle expressed as a standard deviation.</xsd:documentation>
            </xsd:annotation>
            <xsd:simpleType>
              <xsd:restriction base="xsd:decimal">
                <xsd:minInclusive value="0.0"/>
              </xsd:restriction>
            </xsd:simpleType>
          </xsd:element>
          <xsd:element name="angle_target_value" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The target value of the bond angle</xsd:documentation>
            </xsd:annotation>
            <xsd:complexType>
              <xsd:simpleContent>
                <xsd:extension base="xsd:decimal">
                  <xsd:attribute fixed="degrees" name="units" type="xsd:string" use="optional"/>
                </xsd:extension>
              </xsd:simpleContent>
            </xsd:complexType>
          </xsd:element>
          <xsd:element name="angle_value" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The value of the bond angle</xsd:documentation>
            </xsd:annotation>
            <xsd:complexType>
              <xsd:simpleContent>
                <xsd:extension base="xsd:decimal">
                  <xsd:attribute fixed="degrees" name="units" type="xsd:string" use="optional"/>
                </xsd:extension>
              </xsd:simpleContent>
            </xsd:complexType>
          </xsd:element>
          <xsd:element name="auth_asym_id_1" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the first of the three atom sites that define the angle. 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_asym_id_2" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">identifier of the second of the three atom sites that define the angle. 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_asym_id_3" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the third of the three atom sites that define the angle. 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_1" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the first of the three atom sites that define the angle. 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_atom_id_2" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the second of the three atom sites that define the angle. 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_atom_id_3" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the third of the three atom sites that define the angle. 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_1" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the first of the three atom sites that define the angle. 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_comp_id_2" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the second of the three atom sites that define the angle. 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_comp_id_3" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the third of the three atom sites that define the angle. 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_1" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the first of the three atom sites that define the angle. 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="auth_seq_id_2" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the second of the three atom sites that define the angle. 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="auth_seq_id_3" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the third of the three atom sites that define the angle. 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_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">An optional identifier of the first of the three atoms that define the covalent angle. 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="label_alt_id_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">An optional identifier of the second of the three atoms that define the covalent angle. 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="label_alt_id_3" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">An optional identifier of the third of the three atoms that define the covalent angle. 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="linker_flag" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">A flag to indicate if the angle is between two residues</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_rmsd_angle must uniquely identify each item in the PDBX_VALIDATE_RMSD_ANGLE list. This is an integer serial number.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>