NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | type |
2787 | 1clb | 327 | cing | 1-original | 2 | comment |
REMARK 3 NOE DERIVED DISTANCE UPPER BOUND RESTRAINTS-- REMARK 3 THE COMPLETE SET OF DISTANCE UPPER-BOUNDS DERIVED FROM NOES REMARK 3 FOR APO CALBINDIN D9K ARE GIVEN BELOW. THE BOUNDS REMARK 3 ARE DERIVED DIFFERENTLY FOR *DISGEO* AND *AMBER CALCULATIONS. 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 WITH A 2.2 ANGSTROM CORRECTION. REMARK 3 REMARK 3 PSEUDOATOM NAMES ARE USED FOR DIASTEREOTOPIC PROTONS, REMARK 3 FOR WHICH STERESPECIFIC ASSIGNMENTS COULD NOT BE MADE, REMARK 3 AS INDICATED BY A LEADING "Q". METHYL AND METHYLENE REMARK 3 GROUP PROTONS ARE INDICATED BY "M" AND "H", RESPECTIVELY. REMARK 3 REMARK 3 RESTRAINT LISTS EXACTLY CORRESPONDING TO THOSE USED FOR THE REMARK 3 *DISGEO* AND *AMBER* CALCULATIONS MAY BE OBTAINED FROM THE REMARK 3 AUTHORS ON REQUEST USING E-MAIL (CHAZIN@SCRIPPS.EDU). REMARK 3 REMARK 3 THE FOLLOWING LIST CONTAINS REMARK 3 144 INTRARESIDUE NOES REMARK 3 277 SEQUENTIAL NOES REMARK 3 268 MEDIUM-RANGE NOES REMARK 3 305 LONG-RANGE NOES REMARK 3 994 TOTAL 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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