Overview
The SIGUIJ records present the standard deviations of anisotropic temperature factors scaled by a factor of 10**4 (Angstroms**2).
Record Format
COLUMNS DATA TYPE FIELD DEFINITION ------------------------------------------------------------------------------- 1 - 6 Record name "SIGUIJ" 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 sig[1][1] Sigma U(1,1) 36 - 42 Integer sig[2][2] Sigma U(2,2) 43 - 49 Integer sig[3][3] Sigma U(3,3) 50 - 56 Integer sig[1][2] Sigma U(1,2) 57 - 63 Integer sig[1][3] Sigma U(1,3) 64 - 70 Integer sig[2][3] Sigma 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.
Details
* Columns 7 - 27 and 73 - 80 are identical to the corresponding ATOM/HETATM record.
* SIGUIJ are listed only if they have been provided by the depositor and only if they are not zero (0).
Verification/Validation/Value Authority Control
The depositor provides SIGUIJ records, PDB verifies their format.
Relationships to Other Record Types
The standard deviations for the anisotropic temperature factors are related to the corresponding ATOM/HETATM ANISOU temperature factors.
Example
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
SIGUIJ 107 N GLY 13 10 10 10 10 10 10 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
SIGUIJ 108 CA GLY 13 10 10 10 10 10 10 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
SIGUIJ 109 C GLY 13 10 10 10 10 10 10 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
SIGUIJ 110 O GLY 13 10 10 10 10 10 10 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
SIGUIJ 111 N ASN 14 10 10 10 10 10 10 N