NMR Restraints Grid |
Result table
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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