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<TITLE>PDB format for ANISOU records</TITLE>
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<H1>ANISOU records in PDB standard form</H1>
<P>The ANISOU records present the anisotropic temperature factors. </P>
<P> <B>Record Format </B> </P>
<PRE><FONT SIZE=-1>COLUMNS DATA TYPE FIELD DEFINITION
----------------------------------------------------------------------
1 - 6 Record name "ANISOU"
7 - 11 Integer serial Atom serial number.
13 - 16 Atom name Atom name.
17 Character altLoc Alternate location indicator.
18 - 20 Residue name resName Residue name.
22 Character chainID Chain identifier.
23 - 26 Integer resSeq Residue sequence number.
27 AChar iCode Insertion code.
29 - 35 Integer u[0][0] U(1,1)
36 - 42 Integer u[1][1] U(2,2)
43 - 49 Integer u[2][2] U(3,3)
50 - 56 Integer u[0][1] U(1,2)
57 - 63 Integer u[0][2] U(1,3)
64 - 70 Integer u[1][2] U(2,3)
73 - 76 LString(4) segID Segment identifier, left-justified.
77 - 78 LString(2) element Element symbol, right-justified.
79 - 80 LString(2) charge Charge on the atom. </FONT>
</PRE>
<P><B>Details</B> </P>
<P> * Columns 7 - 27 and 73 - 80 are identical to the corresponding ATOM/HETATM
record. </P>
<P> * The anisotropic temperature factors (columns 29 - 70) are scaled
by a factor of 10**4 (Angstroms**2) and are presented as integers. </P>
<P> * The anisotropic temperature factors are stored in the same coordinate
frame as the atomic coordinate records. </P>
<P> * ANISOU values are listed only if they have been provided by the depositor.
</P>
<P> <B>Verification/Validation/Value Authority Control</B> </P>
<P> The depositor provides ANISOU records, PDB verifies their format. </P>
<P> <B>Relationships to Other Record Types</B> </P>
<P> The anisotropic temperature factors are related to the corresponding
ATOM/HETATM isotropic temperature factors as B(eq), as described in the
ATOM and HETATM sections. </P>
<P> <B>Example</B> </P>
<PRE><FONT SIZE=-1> 1 2 3 4 5 6 7 8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
ATOM 107 N GLY 13 12.681 37.302 -25.211 1.000 15.56 N
ANISOU 107 N GLY 13 2406 1892 1614 198 519 -328 N
ATOM 108 CA GLY 13 11.982 37.996 -26.241 1.000 16.92 C
ANISOU 108 CA GLY 13 2748 2004 1679 -21 155 -419 C
ATOM 109 C GLY 13 11.678 39.447 -26.008 1.000 15.73 C
ANISOU 109 C GLY 13 2555 1955 1468 87 357 -109 C
ATOM 110 O GLY 13 11.444 40.201 -26.971 1.000 20.93 O
ANISOU 110 O GLY 13 3837 2505 1611 164 -121 189 O
ATOM 111 N ASN 14 11.608 39.863 -24.755 1.000 13.68 N
ANISOU 111 N ASN 14 2059 1674 1462 27 244 -96 N</FONT></PRE>
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