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Connectivity Section

This section provides information on atomic connectivity. LINK, SSBOND, and CISPEP are found in the Connectivity Annotation section.


CONECT

Overview

The CONECT records specify connectivity between atoms for which coordinates are supplied. The connectivity is described using the atom serial number as shown in the entry. CONECT records are mandatory for HET groups (excluding water) and for other bonds not specified in the standard residue connectivity table. These records are generated automatically.

Record Format

COLUMNS       DATA  TYPE      FIELD        DEFINITION
-------------------------------------------------------------------------
 1 -  6        Record name    "CONECT"
 7 - 11       Integer        serial       Atom  serial number
12 - 16        Integer        serial       Serial number of bonded atom
17 - 21        Integer        serial       Serial  number of bonded atom
22 - 26        Integer        serial       Serial number of bonded atom
27 - 31        Integer        serial       Serial number of bonded atom

Details

Verification/Validation/Value Authority Control

Connectivity is checked for unusual bond lengths.

Relationships to Other Record Types

CONECT records must be present in an entry that contains either non-standard groups or disulfide bonds.

Example

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
CONECT 1179  746 1184 1195 1203                    
CONECT 1179 1211 1222                              
CONECT 1021  544 1017 1020 1022

Known Problems

CONECT records involving atoms for which the coordinates are not present in the entry (e.g., symmetry-generated) are not given.

CONECT records involving atoms for which the coordinates are missing due to disorder, are also not provided.


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