NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position type
1033 1a03 4430 cing 1-original 2 comment


REMARK   3      
REMARK   3      
REMARK   3      
REMARK   3 NOE DERIVED DISTANCE UPPER BOUND RESTRAINTS--
REMARK   3   THE COMPLETE SET OF DISTANCE UPPER-BOUNDS DERIVED FROM NOES
REMARK   3   FOR CA2+ CALCYCLIN ARE GIVEN BELOW.
REMARK   3   THESE ARE THE "RAW" CONSTRAINTS WITHOUT ANY CORRECTIONS
REMARK   3   APPLIED TO BOUNDS INVOLVING NON-STEREO-SPECIFICALLY
REMARK   3   ASSIGNED PROTONS.
REMARK   3   THE BOUNDS ARE DERIVED DIFFERENTLY FOR *DISGEO* AND *AMBER*
REMARK   3   CALCULATIONS, DEPENDING ON THE TREATMENT OF NON-STEREO-
REMARK   3   SPECIFICALLY ASSIGNED PROTONS.
REMARK   3
REMARK   3   RESTRAINTS EXACTLY AS WOULD BE USED FOR *DISGEO* AND
REMARK   3   *AMBER* CALCULATIONS MAY BE OBTAINED VIA EMAIL FROM THE
REMARK   3   AUTHORS: CHAZIN@SCRIPPS.EDU
REMARK   3
REMARK   3   *DISGEO*- A MIXED PSEUDO-ATOM/ALL-ATOM REPRESENTATION WAS
REMARK   3     USED IN WHICH ALL ALPHA, BETA, GAMMA, AND DELTA
REMARK   3     METHYLENE PROTONS ARE REPRESENTED BY EITHER PROTON OR
REMARK   3     PSEUDO-ATOM POINTS.
REMARK   3
REMARK   3   *AMBER*- ALL-ATOM STRUCTURES WERE USED. (R**-6) DISTANCE
REMARK   3     WEIGHTING WAS USED FOR ALL NON-STEREO-SPECIFICALLY
REMARK   3     ASSIGNED DIASTEREOTOPIC PROTONS, INCLUDING METHYL
REMARK   3     GROUPS. AMBIGUOUS NOE RESTRAINTS (CHEMICAL-SHIFT
REMARK   3     DEGENERATE VAL AND LEU METHYLS, OR WHEN ONLY ONE OF
REMARK   3     TWO NON-STEREO-ASSIGNED METHYLS EXHIBITS AN NOE),
REMARK   3     ARE REFERRED TO COMMON CB OR CG ATOMS, RESPECTIVELY.
REMARK   3
REMARK   3     PSEUDOATOM NAMES ARE USED FOR DIASTEREOTOPIC PROTONS,
REMARK   3     FOR WHICH STEREOSPECIFIC ASSIGNMENTS COULD NOT BE MADE,
REMARK   3     AS INDICATED BY A LEADING "Q".  METHYL GROUPS ARE
REMARK   3     INDICATED BY "M".
REMARK   3
REMARK   3   THE FOLLOWING LIST CONTAINS
REMARK   3     502 INTRAMOLECULAR NOES PER SUBUNIT (BOTH SETS LISTED)
REMARK   3      42 INTERMOLECULAR NOES
REMARK   3
REMARK   3   TABLE OF DISTANCE RESTRAINT UPPER BOUNDS (IN ANGSTROMS)
REMARK   3          ATOM 1            ATOM 2      DISTBND
REMARK   3        -----------------------------------------------


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