NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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574215 |
2m2w   |
18936 | cing | 1-original | 1 | XPLOR/CNS | distance | general distance | simple |
assign (segid A and resid 100 and name OD2 )(segid C and resid 2 and name "MG+2" ) 2.2 0.3 0.2 assign (segid C and resid 1 and name O1A )(segid C and resid 2 and name "MG+2" ) 2.2 0.3 0.2 assign (segid A and resid 51 and name OD1 )(segid C and resid 2 and name "MG+2" ) 2.0 0.3 0.2 assign (segid B and resid 23 and name O3' )(segid C and resid 2 and name "MG+2" ) 2.2 0.3 0.2 assign (segid A and resid 49 and name OD2 )(segid C and resid 2 and name "MG+2" ) 2.1 0.3 0.2 assign (segid A and resid 51 and name OD1 )(segid C and resid 2 and name "MG+2" ) 4.0 0.3 0.2 assign (segid C and resid 1 and name PA )(segid C and resid 2 and name "MG+2" ) 3.3 0.3 0.2 assign (segid C and resid 1 and name PA )(segid C and resid 1 and name PB ) 3.1 0.3 0.2 assign (segid C and resid 1 and name PG )(segid C and resid 1 and name PB ) 2.7 0.3 0.2 assign (segid C and resid 1 and name PB )(segid C and resid 3 and name "MG+2" ) 3.1 0.3 0.2 assign (segid C and resid 1 and name PG )(segid C and resid 3 and name "MG+2" ) 3.3 0.3 0.2 assign (segid C and resid 1 and name O1A )(segid C and resid 1 and name O2B ) 3.1 0.3 0.2 assign (segid C and resid 1 and name O1A )(segid C and resid 1 and name O3G ) 3.1 0.3 0.2 assign (segid C and resid 1 and name O3G )(segid C and resid 1 and name O2B ) 2.76 0.3 0.2 assign (segid C and resid 1 and name O1A )(segid C and resid 1 and name PB ) 3.4 0.3 0.2 assign (segid C and resid 1 and name O3G )(segid C and resid 1 and name PB ) 2.93 0.3 0.2 assign (segid B and resid 23 and name O3' )(segid C and resid 1 and name PA ) 3.4 0.3 0.7 assign (segid B and resid 23 and name O3' )(segid C and resid 1 and name O1A ) 3.14 0.3 0.7 assign (segid A and resid 51 and name OD1 )(segid C and resid 1 and name O1A ) 3.07 0.3 0.7 assign (segid A and resid 51 and name OD1 )(segid C and resid 1 and name O2B ) 4.76 0.3 0.7 assign (segid A and resid 51 and name OD2 )(segid C and resid 1 and name O2B ) 2.9 0.3 0.7 assign (segid A and resid 49 and name OD1 )(segid C and resid 1 and name O3G ) 2.73 0.3 0.7 assign (segid A and resid 49 and name OD1 )(segid C and resid 1 and name O2B ) 3.93 0.3 0.7 assign (segid C and resid 1 and name PA )(segid C and resid 1 and name PG ) 4.3 0.3 0.2 assign (segid A and resid 51 and name OD2 )(segid C and resid 1 and name O1A ) 2.82 0.3 0.7 assign (segid A and resid 51 and name OD1 )(segid C and resid 1 and name O1A ) 3.07 0.3 0.7 assign (segid C and resid 1 and name O2B )(segid C and resid 3 and name "MG+2" ) 2.1 0.3 0.2 assign (segid C and resid 1 and name O3G )(segid C and resid 3 and name "MG+2" ) 2.1 0.3 0.2 assign (segid A and resid 49 and name OD1 )(segid C and resid 3 and name "MG+2" ) 2.0 0.3 0.2 assign (segid A and resid 51 and name OD2 )(segid C and resid 3 and name "MG+2" ) 2.0 0.3 0.2 assign (segid C and resid 1 and name O1A )(segid C and resid 3 and name "MG+2" ) 2.1 0.3 0.2 assign (segid A and resid 49 and name OD2 )(segid C and resid 3 and name "MG+2" ) 3.4 0.3 0.2 assign (segid C and resid 2 and name "MG+2" )(segid C and resid 3 and name "MG+2" ) 4.0 0.3 0.2 # # 33 "tighter" distance restraints used during the second and the final stages, the semi-flexible # simulated annealing and final water-refinement, to obtain the 10 final models assign (segid A and resid 100 and name OD2 )(segid C and resid 2 and name "MG+2" ) 2.15 0.01 0.01 assign (segid C and resid 1 and name O1A )(segid C and resid 2 and name "MG+2" ) 2.2 0.01 0.01 assign (segid A and resid 51 and name OD1 )(segid C and resid 2 and name "MG+2" ) 2.01 0.01 0.01 assign (segid B and resid 23 and name O3' )(segid C and resid 2 and name "MG+2" ) 2.2 0.01 0.01 assign (segid A and resid 49 and name OD2 )(segid C and resid 2 and name "MG+2" ) 2.05 0.01 0.01 assign (segid A and resid 51 and name OD2 )(segid C and resid 2 and name "MG+2" ) 3.50 0.01 0.01 assign (segid C and resid 1 and name PA )(segid C and resid 2 and name "MG+2" ) 3.3 0.01 0.01 assign (segid C and resid 1 and name PA )(segid C and resid 1 and name PB ) 3.1 0.01 0.01 assign (segid C and resid 1 and name PG )(segid C and resid 1 and name PB ) 2.7 0.01 0.01 assign (segid C and resid 1 and name PB )(segid C and resid 3 and name "MG+2" ) 3.1 0.01 0.01 assign (segid C and resid 1 and name PG )(segid C and resid 3 and name "MG+2" ) 3.3 0.01 0.01 assign (segid C and resid 1 and name O1A )(segid C and resid 1 and name O2B ) 3.1 0.01 0.01 assign (segid C and resid 1 and name O1A )(segid C and resid 1 and name O3G ) 3.1 0.01 0.01 assign (segid C and resid 1 and name O3G )(segid C and resid 1 and name O2B ) 2.76 0.01 0.01 assign (segid C and resid 1 and name O1A )(segid C and resid 1 and name PB ) 3.4 0.01 0.01 assign (segid C and resid 1 and name O3G )(segid C and resid 1 and name PB ) 2.93 0.01 0.01 assign (segid B and resid 23 and name O3' )(segid C and resid 1 and name PA ) 3.4 0.01 0.01 assign (segid B and resid 23 and name O3' )(segid C and resid 1 and name O1A ) 3.14 0.01 0.01 assign (segid A and resid 51 and name OD1 )(segid C and resid 1 and name O1A ) 3.07 0.01 0.01 assign (segid A and resid 51 and name OD1 )(segid C and resid 1 and name O2B ) 4.76 0.01 0.01 assign (segid A and resid 51 and name OD2 )(segid C and resid 1 and name O2B ) 2.9 0.01 0.01 assign (segid A and resid 49 and name OD1 )(segid C and resid 1 and name O3G ) 2.73 0.01 0.01 assign (segid A and resid 49 and name OD1 )(segid C and resid 1 and name O2B ) 3.93 0.01 0.01 assign (segid C and resid 1 and name PA )(segid C and resid 1 and name PG ) 4.3 0.01 0.01 assign (segid A and resid 51 and name OD2 )(segid C and resid 1 and name O1A ) 2.82 0.01 0.01 assign (segid A and resid 51 and name OD1 )(segid C and resid 1 and name O1A ) 3.07 0.01 0.01 assign (segid C and resid 1 and name O2B )(segid C and resid 3 and name "MG+2" ) 2.04 0.01 0.01 assign (segid C and resid 1 and name O3G )(segid C and resid 3 and name "MG+2" ) 2.08 0.01 0.01 assign (segid A and resid 49 and name OD1 )(segid C and resid 3 and name "MG+2" ) 1.95 0.01 0.01 assign (segid A and resid 51 and name OD2 )(segid C and resid 3 and name "MG+2" ) 2.02 0.01 0.01 assign (segid C and resid 1 and name O1A )(segid C and resid 3 and name "MG+2" ) 2.06 0.01 0.01 assign (segid A and resid 49 and name OD2 )(segid C and resid 3 and name "MG+2" ) 3.40 0.01 0.01 assign (segid C and resid 2 and name "MG+2" )(segid C and resid 3 and name "MG+2" ) 3.5 0.01 0.01 # # distance restraints used throughout the calculations assign (segid C and resid 1 and name C1' )(segid C and resid 1 and name C8 ) 2.5 0.3 0.3 assign (segid B and resid 10 and name N2 )(segid C and resid 1 and name N7 ) 2.80 0.01 0.01 assign (segid B and resid 10 and name N1 )(segid C and resid 1 and name N7 ) 3.46 0.01 0.01 assign (segid B and resid 10 and name N1 )(segid C and resid 1 and name O6 ) 3.01 0.01 0.01 assign (segid B and resid 10 and name N2 )(segid C and resid 1 and name O6 ) 4.42 0.01 0.01 assign (segid B and resid 10 and name O6 )(segid C and resid 1 and name O6 ) 2.96 0.01 0.01 assign (segid B and resid 10 and name H22 )(segid C and resid 1 and name N7 ) 1.70 0.01 0.01 assign (segid C and resid 1 and name O2A )(segid C and resid 1 and name N2 ) 3.5 0.3 0.2 assign (segid A and resid 115 and name HE2 )(segid C and resid 1 and name N7 ) 2.70 0.10 0.10 assign (segid A and resid 120 and name HG1* )(segid B and resid 10 and name H1) 5.0 3.2 1.0 !vw assign (segid A and resid 124 and name HD1* )(segid B and resid 10 and name H1) 5.0 3.2 1.0 !vw assign (segid A and resid 127 and name HE )(segid B and resid 10 and name H1) 5.0 3.2 1.0 !vw assign (segid A and resid 115 and name HE2 )(segid B and resid 11 and name H1) 5.0 3.2 1.0 !vw assign (segid B and resid 10 and name C1' )(segid C and resid 1 and name C1') 11.0 0.05 0.05 !vw assign (segid B and resid 7 and name C1' )(segid B and resid 3 and name C1') 10.7 0.01 0.01 !vw assign (segid B and resid 8 and name C1' )(segid B and resid 2 and name C1') 10.7 0.01 0.01 !vw assign (segid B and resid 9 and name C1' )(segid B and resid 1 and name C1') 10.7 0.01 0.01 !vw assign (segid B and resid 11 and name C1' )(segid B and resid 23 and name C1') 10.7 0.01 0.01 !vw assign (segid B and resid 12 and name C1' )(segid B and resid 22 and name C1') 10.7 0.01 0.01 !vw assign (segid B and resid 13 and name C1' )(segid B and resid 21 and name C1') 10.5 0.01 0.01 !vw assign (segid B and resid 14 and name C1' )(segid B and resid 20 and name C1') 10.7 0.01 0.01 !vw assign (segid B and resid 15 and name C1' )(segid B and resid 19 and name C1') 10.7 0.01 0.01 !vw
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