Overview
The SIGATM records present the standard deviation of atomic parameters as they appear in ATOM and HETATM records.
Record Format
COLUMNS DATA TYPE FIELD DEFINITION
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1 - 6 Record name "SIGATM"
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.
31 - 38 Real(8.3) sigX Standard deviations of the stored
coordinates (Angstroms).
39 - 46 Real(8.3) sigY Standard deviations of the stored
coordinates (Angstroms).
47 - 54 Real(8.3) sigZ Standard deviations of the stored
coordinates (Angstroms).
55 - 60 Real(6.2) sigOcc Standard deviation of occupancy.
61 - 66 Real(6.2) sigTemp Standard deviation of temperature
factor.
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.
* Each SIGATM record immediately follows the corresponding ATOM/HETATM record.
* SIGATM is provided only for ATOM/HETATM records for which values are supplied by the depositor and only when the value is not zero (0).
Verification/Validation/Value Authority Control
The depositor provides SIGATM records, PDB verifies their format.
Relationships to Other Record Types
SIGATM is related to the immediately preceding ATOM/HETATM record.
Example
1 2 3 4 5 6 7 8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
ATOM 230 N PRO 15 20.860 29.640 13.460 1.00 12.20 N
SIGATM 230 N PRO 15 0.040 0.030 0.030 0.00 0.00 N
ATOM 231 CA PRO 15 22.180 29.010 12.960 1.00 14.70 C
SIGATM 231 CA PRO 15 0.060 0.040 0.050 0.00 0.00 C
ATOM 232 C PRO 15 23.170 30.090 12.670 1.00 19.10 C
SIGATM 232 C PRO 15 0.080 0.070 0.060 0.00 0.00 C
ATOM 233 O PRO 15 24.360 29.860 12.670 1.00 17.50 O
SIGATM 233 O PRO 15 0.040 0.030 0.030 0.00 0.00 O
ATOM 234 CB PRO 15 21.710 28.220 11.640 1.00 17.70 C
SIGATM 234 CB PRO 15 0.060 0.040 0.050 0.00 0.00 C
ATOM 235 CG PRO 15 20.470 28.710 11.590 1.00 23.90 C
SIGATM 235 CG PRO 15 0.080 0.060 0.060 0.00 0.00 C
ATOM 236 CD PRO 15 19.640 29.320 12.660 1.00 15.50 C
SIGATM 236 CD PRO 15 0.060 0.040 0.050 0.00 0.00 C
ATOM 237 HA PRO 15 22.630 28.400 13.620 1.00 14.70 H
ATOM 238 1HB PRO 15 22.240 28.540 10.860 1.00 17.70 H
ATOM 239 2HB PRO 15 21.670 27.240 11.840 1.00 17.70 H
ATOM 240 1HG PRO 15 20.360 29.240 10.740 1.00 23.90 H
ATOM 241 2HG PRO 15 19.900 28.120 11.020 1.00 23.90 H
ATOM 242 1HD PRO 15 19.230 30.160 12.320 1.00 15.50 H
ATOM 243 2HD PRO 15 19.120 28.600 13.120 1.00 15.50 H