NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
476115 1bn0 4175 cing 1-original 4 AMBER dihedral angle


#Constraints for the dihedral alfa (O3'-P-O5'-C5')
 &rst  iat=    66,   67,   70,   71, 
 r1=  -140., r2= -120., r3=  120., r4=  140., rk2=  5.0, rk3=  5.0, &end
 &rst  iat=   99,  100,  103,  104,  &end
 &rst  iat=  130,  131,  134,  135,  &end
 &rst  iat=  160,  161,  164,  165,  &end
 &rst  iat=  193,  194,  197,  198,  &end
 &rst  iat=  227,  228,  231,  232,  &end
 &rst  iat=  427,  428,  431,  432,  &end
 &rst  iat=  458,  459,  462,  463,  &end
 &rst  iat=  488,  489,  492,  493,  &end
 &rst  iat=  521,  522,  525,  526,  &end
 &rst  iat=  585,  586,  589,  590,  &end
 &rst  iat=  616,  617,  620,  621,  &end
#Constraints for the dihedral zeta (C3'-O3'-P-O5')
 &rst  iat=   60,   66,   67,   70,  
 r1=  -140., r2= -120., r3=  120., r4=  140., rk2=  5.0, rk3=  5.0, &end
 &rst  iat=   93,   99,  100,  103,  &end
 &rst  iat=  124,  130,  131,  134,  &end
 &rst  iat=  154,  160,  161,  164,  &end
 &rst  iat=  187,  193,  194,  197,  &end
 &rst  iat=  221,  227,  228,  231,  &end
 &rst  iat=  421,  427,  428,  431,  &end
 &rst  iat=  452,  458,  459,  462,  &end
 &rst  iat=  482,  488,  489,  492,  &end
 &rst  iat=  515,  521,  522,  525,  &end
 &rst  iat=  579,  585,  586,  589,  &end
 &rst  iat=  610,  616,  617,  620,  &end
#Constraints for the dihedral beta (P-O5'-C5'-C4')
 &rst  iat=   67,   70,   71,   74, 
 r1=   120., r2=  140., r3=  220., r4=  240., rk2=  5.0, rk3=  5.0, &end
 &rst  iat=  100,  103,  104,  107,  &end
 &rst  iat=  131,  134,  135,  138,  &end
 &rst  iat=  161,  164,  165,  168,  &end
 &rst  iat=  194,  197,  198,  201,  &end
 &rst  iat=  228,  231,  232,  235,  &end
 &rst  iat=  259,  262,  263,  266,  &end
 &rst  iat=  428,  431,  432,  435,  &end
 &rst  iat=  459,  462,  463,  466,  &end
 &rst  iat=  489,  492,  493,  496,  &end
 &rst  iat=  522,  525,  526,  529,  &end
 &rst  iat=  556,  559,  560,  563,  &end
 &rst  iat=  586,  589,  590,  593,  &end
 &rst  iat=  617,  620,  621,  624,  &end
#Constraints for the dihedral teta (H3'-C3'-O3'-P)
 &rst  iat=   27,   26,   32,   33, 
 r1=   -60., r2=  -40., r3=   40., r4=   60., rk2=  5.0, rk3=  5.0, &end
 &rst  iat=   94,   93,   99,  100,  &end
 &rst  iat=  125,  124,  130,  131,  &end
 &rst  iat=  188,  187,  193,  194,  &end
 &rst  iat=  483,  482,  488,  489,  &end
 &rst  iat=  516,  515,  521,  522,  &end
 &rst  iat=  550,  549,  555,  556,  &end
#Constraints for the dihedral H1'-C1'-C2'-H2'1
 &rst  iat=   44,   43,   62,   63, 
 r1=    50., r2=   70., r3=  110., r4=  130., rk2=  5.0, rk3=  5.0, &end
 &rst  iat=   78,   77,   95,   96,  &end
 &rst  iat=  111,  110,  126,  127,  &end
 &rst  iat=  142,  141,  156,  157,  &end
 &rst  iat=  172,  171,  189,  190,  &end
 &rst  iat=  205,  204,  223,  224,  &end
 &rst  iat=  239,  238,  254,  255,  &end
 &rst  iat=  439,  438,  454,  455,  &end
 &rst  iat=  470,  469,  484,  485,  &end
 &rst  iat=  500,  499,  517,  518,  &end
 &rst  iat=  533,  532,  551,  552,  &end
 &rst  iat=  567,  566,  581,  582,  &end
 &rst  iat=  597,  596,  612,  613,  &end
 &rst  iat=  304,  303,  322,  323,  
 r1=   110., r2=  130., r3=  180., r4=  200., rk2=  5.0, rk3=  5.0, &end
#Constraints for the dihedral gamma (O5'-C5'-C4'-C3')
 &rst  iat=   36,   37,   40,   60, 
 r1=    -5.0, r2=   15., r3=   95., r4=  115., rk2=  5.0, rk3=  5.0, &end
 &rst  iat=  103,  104,  107,  124,  &end
 &rst  iat=  164,  165,  168,  187,  &end
 &rst  iat=  197,  198,  201,  221,  &end
 &rst  iat=  492,  493,  496,  515,  &end
 &rst  iat=  559,  560,  563,  579,  &end
 &rst  iat=   70,   71,   74,   93,  &end
 &rst  iat=  134,  135,  138,  154,  &end
 &rst  iat=  231,  232,  235,  252,  &end
 &rst  iat=  431,  432,  435,  452,  &end
 &rst  iat=  525,  526,  529,  549,  &end
 &rst  iat=  589,  590,  593,  610,  &end
 &rst  iat=  363,  364,  367,  387,  &end
 &rst  iat=  330,  331,  334,  353,  &end


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, April 20, 2018 7:26:05 AM CDT (wattos1)