![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
![]() |
5150 |
1ghk ![]() ![]() |
cing | recoord | 1-original | 4 | XPLOR/CNS | dihedral angle |
!! Phi constraints AND Chi constraints !! Phi restraints: minimum deviation = 30 degrees !! 3J values from HMQC-J experiment, after fitting and/or spectral simulations !! for 3J values > 9 Hz, phi = -120 +- 30 !! for 3J values > 8 Hz, phi = -120 +- 40 !! for 3J values < 6 Hz, phi = -55 +- 30 !! ILE2 assign (resid 1 and name c ) (resid 2 and name n ) (resid 2 and name ca) (resid 2 and name c ) 1.0 -120.0 30.0 2 !! ILE4 assign (resid 3 and name c ) (resid 4 and name n) (resid 4 and name ca) (resid 4 and name c ) 1.0 -120.0 30.0 2 !! LYS5 assign (resid 4 and name c ) (resid 5 and name n ) (resid 5 and name ca) (resid 5 and name c ) 1.0 -120.0 30.0 2 !! ALA6 assign (resid 5 and name c ) (resid 6 and name n) (resid 6 and name ca) (resid 6 and name c ) 1.0 -55.0 30.0 2 !! GLU11 assign (resid 10 and name c ) (resid 11 and name n ) (resid 11 and name ca) (resid 11 and name c ) 1.0 -55.0 30.0 2 !! ILE13 assign (resid 12 and name c ) (resid 13 and name n) (resid 13 and name ca) (resid 13 and name c ) 1.0 -120.0 30.0 2 !! THR17 assign (resid 16 and name c ) (resid 17 and name n ) (resid 17 and name ca) (resid 17 and name c ) 1.0 -120.0 30.0 2 !! VAL18 assign (resid 17 and name c ) (resid 18 and name n) (resid 18 and name ca) (resid 18 and name c ) 1.0 -55.0 30.0 2 !! ALA19 assign (resid 18 and name c ) (resid 19 and name n ) (resid 19 and name ca) (resid 19 and name c ) 1.0 -120.0 40.0 2 !! THR20 assign (resid 19 and name c ) (resid 20 and name n ) (resid 20 and name ca) (resid 20 and name c ) 1.0 -120.0 40.0 2 !! TRP21 assign (resid 20 and name c ) (resid 21 and name n) (resid 21 and name ca) (resid 21 and name c ) 1.0 -120.0 30.0 2 !! LYS23 assign (resid 22 and name c ) (resid 23 and name n ) (resid 23 and name ca) (resid 23 and name c ) 1.0 -120.0 40.0 2 !! LYS24 assign (resid 23 and name c ) (resid 24 and name n ) (resid 24 and name ca) (resid 24 and name c ) 1.0 -120.0 40.0 2 !! VAL29 assign (resid 28 and name c ) (resid 29 and name n) (resid 29 and name ca) (resid 29 and name c ) 1.0 -120.0 30.0 2 !! LYS30 assign (resid 29 and name c ) (resid 30 and name n ) (resid 30 and name ca) (resid 30 and name c ) 1.0 -120.0 40.0 2 !! ARG31 assign (resid 30 and name c ) (resid 31 and name n ) (resid 31 and name ca) (resid 31 and name c ) 1.0 -55.0 30.0 2 !! LEU34 assign (resid 33 and name c ) (resid 34 and name n) (resid 34 and name ca) (resid 34 and name c ) 1.0 -55.0 30.0 2 !! ILE35 assign (resid 34 and name c ) (resid 35 and name n ) (resid 35 and name ca) (resid 35 and name c ) 1.0 -120.0 30.0 2 !! ASP37 assign (resid 36 and name c ) (resid 37 and name n) (resid 37 and name ca) (resid 37 and name c ) 1.0 -120.0 30.0 2 !! ILE38 assign (resid 37 and name c ) (resid 38 and name n ) (resid 38 and name ca) (resid 38 and name c ) 1.0 -120.0 30.0 2 !! GLU39 assign (resid 38 and name c ) (resid 39 and name n) (resid 39 and name ca) (resid 39 and name c ) 1.0 -120.0 40.0 2 !! THR40 assign (resid 39 and name c ) (resid 40 and name n ) (resid 40 and name ca) (resid 40 and name c ) 1.0 -120.0 40.0 2 !! ASP41 assign (resid 40 and name c ) (resid 41 and name n) (resid 41 and name ca) (resid 41 and name c ) 1.0 -55.0 30.0 2 !! LYS42 assign (resid 41 and name c ) (resid 42 and name n ) (resid 42 and name ca) (resid 42 and name c ) 1.0 -120.0 40.0 2 !! VAL43 assign (resid 42 and name c ) (resid 43 and name n) (resid 43 and name ca) (resid 43 and name c ) 1.0 -120.0 40.0 2 !! VAL44 assign (resid 43 and name c ) (resid 44 and name n ) (resid 44 and name ca) (resid 44 and name c ) 1.0 -120.0 30.0 2 !! MET45 assign (resid 44 and name c ) (resid 45 and name n) (resid 45 and name ca) (resid 45 and name c ) 1.0 -120.0 40.0 2 !! VAL47 assign (resid 46 and name c ) (resid 47 and name n ) (resid 47 and name ca) (resid 47 and name c ) 1.0 -120.0 30.0 2 !! LEU48 assign (resid 47 and name c ) (resid 48 and name n) (resid 48 and name ca) (resid 48 and name c ) 1.0 -120.0 30.0 2 !! ALA49 assign (resid 48 and name c ) (resid 49 and name n ) (resid 49 and name ca) (resid 49 and name c ) 1.0 -55.0 30.0 2 !! VAL54 assign (resid 53 and name c ) (resid 54 and name n ) (resid 54 and name ca) (resid 54 and name c ) 1.0 -120.0 30.0 2 !! ILE55 assign (resid 54 and name c ) (resid 55 and name n ) (resid 55 and name ca) (resid 55 and name c ) 1.0 -55.0 30.0 2 !! ILE58 assign (resid 57 and name c ) (resid 58 and name n) (resid 58 and name ca) (resid 58 and name c ) 1.0 -120.0 30.0 2 !! VAL59 assign (resid 58 and name c ) (resid 59 and name n ) (resid 59 and name ca) (resid 59 and name c ) 1.0 -120.0 30.0 2 !! LYS60 assign (resid 59 and name c ) (resid 60 and name n) (resid 60 and name ca) (resid 60 and name c ) 1.0 -120.0 30.0 2 !! ASN61 assign (resid 60 and name c ) (resid 61 and name n ) (resid 61 and name ca) (resid 61 and name c ) 1.0 -120.0 40.0 2 !! GLU62 assign (resid 61 and name c ) (resid 62 and name n) (resid 62 and name ca) (resid 62 and name c ) 1.0 -55.0 30.0 2 !! VAL66 assign (resid 65 and name c ) (resid 66 and name n ) (resid 66 and name ca) (resid 66 and name c ) 1.0 -120.0 30.0 2 !! LEU67 assign (resid 66 and name c ) (resid 67 and name n) (resid 67 and name ca) (resid 67 and name c ) 1.0 -120.0 30.0 2 !! SER68 assign (resid 67 and name c ) (resid 68 and name n ) (resid 68 and name ca) (resid 68 and name c ) 1.0 -55.0 30.0 2 !! GLU70 assign (resid 69 and name c ) (resid 70 and name n) (resid 70 and name ca) (resid 70 and name c ) 1.0 -55.0 30.0 2 !! LEU71 assign (resid 70 and name c ) (resid 71 and name n ) (resid 71 and name ca) (resid 71 and name c ) 1.0 -55.0 30.0 2 !! LEU72 assign (resid 71 and name c ) (resid 72 and name n ) (resid 72 and name ca) (resid 72 and name c ) 1.0 -120.0 40.0 2 !! LYS74 assign (resid 73 and name c ) (resid 74 and name n) (resid 74 and name ca) (resid 74 and name c ) 1.0 -120.0 30.0 2 !! LEU75 assign (resid 74 and name c ) (resid 75 and name n ) (resid 75 and name ca) (resid 75 and name c ) 1.0 -120.0 30.0 2 !! THR76 assign (resid 75 and name c ) (resid 76 and name n) (resid 76 and name ca) (resid 76 and name c ) 1.0 -120.0 40.0 2 !! GLU77 assign (resid 76 and name c ) (resid 77 and name n ) (resid 77 and name ca) (resid 77 and name c ) 1.0 -55.0 30.0 2 !! Chi constraints: minimum deviation = 30 degrees !! beta-methylene protons !! D3, g2t3 assign (resid 3 and name n ) (resid 3 and name ca ) (resid 3 and name cb) (resid 3 and name cg ) 1.0 180.0 30.0 2 !! W21, t2g3 assign (resid 21 and name n ) (resid 21 and name ca) (resid 21 and name cb) (resid 21 and name cg ) 1.0 -60.0 30.0 2 !! H22, t2g3 assign (resid 22 and name n ) (resid 22 and name ca ) (resid 22 and name cb) (resid 22 and name cg ) 1.0 -60.0 30.0 2 !! D32, g2t3 assign (resid 32 and name n ) (resid 32 and name ca ) (resid 32 and name cb) (resid 32 and name cg ) 1.0 180.0 30.0 2 !! D37, t2g3 assign (resid 37 and name n ) (resid 37 and name ca) (resid 37 and name cb) (resid 37 and name cg ) 1.0 -60.0 30.0 2 !! K42, t2g3 assign (resid 42 and name n ) (resid 42 and name ca ) (resid 42 and name cb) (resid 42 and name cg ) 1.0 -60.0 30.0 2 !! M45, t2g3 assign (resid 45 and name n ) (resid 45 and name ca ) (resid 45 and name cb) (resid 45 and name cg ) 1.0 -60.0 30.0 2 !! D52, g2t3 assign (resid 52 and name n ) (resid 52 and name ca) (resid 52 and name cb) (resid 52 and name cg ) 1.0 180.0 30.0 2 !! N61, t2g3 assign (resid 61 and name n ) (resid 61 and name ca ) (resid 61 and name cb) (resid 61 and name cg ) 1.0 -60.0 30.0 2 !! D64, g2t3 assign (resid 64 and name n ) (resid 64 and name ca ) (resid 64 and name cb) (resid 64 and name cg ) 1.0 180.0 30.0 2 !! E70, g2t3 assign (resid 70 and name n ) (resid 70 and name ca) (resid 70 and name cb) (resid 70 and name cg ) 1.0 180.0 30.0 2 !! L72, t2g3 assign (resid 72 and name n ) (resid 72 and name ca ) (resid 72 and name cb) (resid 72 and name cg ) 1.0 -60.0 30.0 2 !! E77, t2g3 assign (resid 77 and name n ) (resid 77 and name ca ) (resid 77 and name cb) (resid 77 and name cg ) 1.0 -60.0 30.0 2 !! Valines !! V18, g+ assign (resid 18 and name n ) (resid 18 and name ca) (resid 18 and name cb) (resid 18 and name cg1) 1.0 180.0 30.0 2 !! V36, t assign (resid 36 and name n ) (resid 36 and name ca ) (resid 36 and name cb) (resid 36 and name cg1) 1.0 60.0 30.0 2 !! V43, g+ assign (resid 43 and name n ) (resid 43 and name ca) (resid 43 and name cb) (resid 43 and name cg1) 1.0 180.0 30.0 2 !! V54, g+ assign (resid 54 and name n ) (resid 54 and name ca) (resid 54 and name cb) (resid 54 and name cg1) 1.0 180.0 30.0 2 !! V59, g+ assign (resid 59 and name n ) (resid 59 and name ca) (resid 59 and name cb) (resid 59 and name cg1) 1.0 180.0 30.0 2
Contact the webmaster for help, if required. Friday, July 5, 2024 4:03:36 AM GMT (wattos1)