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
5283 1h0q cing 1-original 3 AMBER distance hydrogen bond simple


#Watson_Crick baseparing
#
#
#C1:O2            G18:H21          1.74  2.10 50.00 50.00 1000.000
 &rst iat= 1, 18, atnam(1)="O2", atnam(2)="H21",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#C1:N3            G18:H1           1.74  2.10 50.00 50.00 1000.000
 &rst iat= 1, 18, atnam(1)="N3", atnam(2)="H1",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#C1:H41           G18:O6           1.74  2.10 50.00 50.00 1000.000
 &rst iat= 1, 18, atnam(1)="H41", atnam(2)="O6",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#T2:H3            A17:N1           1.74  2.10 50.00 50.00 1000.000
 &rst iat= 2, 17, atnam(1)="H3", atnam(2)="N1",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#T2:O4            A17:H61          1.74  2.10 50.00 50.00 1000.000 
 &rst iat= 2, 17, atnam(1)="O4", atnam(2)="H61",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#C16:O2            G3:H21          1.74  2.10 50.00 50.00 1000.000
 &rst iat= 16, 3, atnam(1)="O2", atnam(2)="H21",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#C16:N3            G3:H1           1.74  2.10 50.00 50.00 1000.000
 &rst iat= 16, 3, atnam(1)="N3", atnam(2)="H1",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#C16:H41           G3:O6           1.74  2.10 50.00 50.00 1000.000
 &rst iat= 16, 3, atnam(1)="H41", atnam(2)="O6",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#U15:H3            A4:N1           1.74  2.10 50.00 50.00 1000.000
 &rst iat= 15, 4, atnam(1)="H3", atnam(2)="N1",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#U15:O4            A4:H61          1.74  2.10 50.00 50.00 1000.000 
 &rst iat= 15, 4, atnam(1)="O4", atnam(2)="H61",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#T5:H3            A14:N1           1.74  2.10 50.00 50.00 1000.000
 &rst iat= 5, 14, atnam(1)="H3", atnam(2)="N1",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#T5:O4            A14:H61          1.74  2.10 50.00 50.00 1000.000 
 &rst iat= 5, 14, atnam(1)="O4", atnam(2)="H61",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#U13:H3            A6:N1           1.74  2.10 50.00 50.00 1000.000
 &rst iat= 13, 6, atnam(1)="H3", atnam(2)="N1",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#U13:O4            A6:H61          1.74  2.10 50.00 50.00 1000.000 
 &rst iat= 13, 6, atnam(1)="O4", atnam(2)="H61",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#T7:H3            A12:N1           1.74  2.10 50.00 50.00 1000.000
 &rst iat= 7, 12, atnam(1)="H3", atnam(2)="N1",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#T7:O4            A12:H61          1.74  2.10 50.00 50.00 1000.000 
 &rst iat= 7, 12, atnam(1)="O4", atnam(2)="H61",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#C11:O2            G8:H21          1.74  2.10 50.00 50.00 1000.000
 &rst iat= 11, 8, atnam(1)="O2", atnam(2)="H21",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#C11:N3            G8:H1           1.74  2.10 50.00 50.00 1000.000
 &rst iat= 11, 8, atnam(1)="N3", atnam(2)="H1",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#C11:H41           G8:O6           1.74  2.10 50.00 50.00 1000.000
 &rst iat= 11, 8, atnam(1)="H41", atnam(2)="O6",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#C9:O2            G10:H21          1.74  2.10 50.00 50.00 1000.000
 &rst iat= 9, 10, atnam(1)="O2", atnam(2)="H21",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#C9:N3            G10:H1           1.74  2.10 50.00 50.00 1000.000
 &rst iat= 9, 10, atnam(1)="N3", atnam(2)="H1",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end
#C9:H41           G10:O6           1.74  2.10 50.00 50.00 1000.000
 &rst iat= 9, 10, atnam(1)="H41", atnam(2)="O6",
   r1 = 1.24, r2 = 1.74 , r3 = 2.10 , r4 = 2.60,
   rk2 = 50.0, rk3 = 50.0, iresid=1, &end


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Contact the webmaster for help, if required. Tuesday, July 17, 2018 2:42:12 AM CDT (wattos1)