NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
492624 2kqh cing 1-original 2 AMBER distance hydrogen bond simple


# hydrogen bonding restraints in the core between imino protons and amino of #3, #6#, #15
 &rst  iat=  2, 6, atnam= "H1", "O6", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  2, 6, atnam= "N1", "O6", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  6, 14, atnam= "H1", "O6", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  6, 14, atnam= "N1", "O6", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  14, 18, atnam= "H1", "O6", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  14, 18, atnam= "N1", "O6", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  18, 2, atnam= "H1", "O6", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  18, 2, atnam= "N1", "O6", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  6, 14, atnam= "H21", "N7", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  6, 14, atnam= "N2", "N7", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  3, 7, atnam= "H1", "O6", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  3, 7, atnam= "N1", "O6", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  7, 15, atnam= "H1", "O6", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  7, 15, atnam= "N1", "O6", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  15, 19, atnam= "H1", "O6", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  15, 19, atnam= "N1", "O6", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  19, 3, atnam= "H1", "O6", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  19, 3, atnam= "N1", "O6", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  3, 7, atnam= "H21", "N7", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  3, 7, atnam= "N2", "N7", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  15, 19, atnam= "H21", "N7", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  15, 19, atnam= "N2", "N7", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  4, 8, atnam= "H1", "O6", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  4, 8, atnam= "N1", "O6", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  8, 16, atnam= "H1", "O6", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  8, 16, atnam= "N1", "O6", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  16, 20, atnam= "H1", "O6", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  16, 20, atnam= "N1", "O6", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  20, 4, atnam= "H1", "O6", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  20, 4, atnam= "N1", "O6", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=50.0, &end
 &rst  iat=  14, 18, atnam= "H21", "N7", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  14, 18, atnam= "N2", "N7", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  18, 2, atnam= "H21", "N7", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  18, 2, atnam= "N2", "N7", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  2, 6, atnam= "H21", "N7", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  2, 6, atnam= "N2", "N7", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  7, 15, atnam= "H21", "N7", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  7, 15, atnam= "N2", "N7", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  19, 3, atnam= "H21", "N7", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  19, 3, atnam= "N2", "N7", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  16, 20, atnam= "H21", "N7", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  16, 20, atnam= "N2", "N7", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  20, 4, atnam= "H21", "N7", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  20, 4, atnam= "N2", "N7", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  4, 8, atnam= "H21", "N7", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  4, 8, atnam= "N2", "N7", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  8, 16, atnam= "H21", "N7", iresid= 1,  r1=0.0,  r2=1.8, r3=2.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end
 &rst  iat=  8, 16, atnam= "N2", "N7", iresid= 1,  r1=0.0,  r2=2.8, r3=3.0,  r4= 5.0, rk2=0.0, rk3=5.0, &end


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

Contact the webmaster for help, if required. Friday, May 3, 2024 3:54:06 PM GMT (wattos1)