NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
27593 | 2ro2 | cing | 1-original | 1 | AMBER | distance | hydrogen bond | simple |
# MNR constraints for 2RO2 (AMBER format) # HYDROGEN BONDING &rst iat= 1, 23, atnam(1)='H21 ', atnam(2)='O2 ', r1= 0.700,r2= 1.700,r3= 2.000,r4= 3.000, rk2= 30.000, rk3= 30.000 , ir6=1, iresid=1, &end &rst iat= 1, 23, atnam(1)='H1 ', atnam(2)='N3 ', iresid=1, / &rst iat= 1, 23, atnam(1)='O6 ', atnam(2)='H41 ', iresid=1, / &rst iat= 2, 22, atnam(1)='H21 ', atnam(2)='O2 ', iresid=1, / &rst iat= 2, 22, atnam(1)='H1 ', atnam(2)='N3 ', iresid=1, / &rst iat= 2, 22, atnam(1)='O6 ', atnam(2)='H41 ', iresid=1, / &rst iat= 3, 21, atnam(1)='H21 ', atnam(2)='O2 ', iresid=1, / &rst iat= 3, 21, atnam(1)='H1 ', atnam(2)='N3 ', iresid=1, / &rst iat= 3, 21, atnam(1)='O6 ', atnam(2)='H41 ', iresid=1, / &rst iat= 4, 20, atnam(1)='H61 ', atnam(2)='O4 ', iresid=1, / &rst iat= 4, 20, atnam(1)='N1 ', atnam(2)='H3 ', iresid=1, / &rst iat= 5, 19, atnam(1)='H1 ', atnam(2)='O2 ', iresid=1, / &rst iat= 5, 19, atnam(1)='O6 ', atnam(2)='H3 ', iresid=1, / &rst iat= 6, 18, atnam(1)='H61 ', atnam(2)='O4 ', iresid=1, / &rst iat= 6, 18, atnam(1)='N1 ', atnam(2)='H3 ', iresid=1, / &rst iat= 7, 17, atnam(1)='O2 ', atnam(2)='H21 ', iresid=1, / &rst iat= 7, 17, atnam(1)='N3 ', atnam(2)='H1 ', iresid=1, / &rst iat= 7, 17, atnam(1)='H41 ', atnam(2)='O6 ', iresid=1, / &rst iat= 8, 16, atnam(1)='O2 ', atnam(2)='H21 ', iresid=1, / &rst iat= 8, 16, atnam(1)='N3 ', atnam(2)='H1 ', iresid=1, / &rst iat= 8, 16, atnam(1)='H41 ', atnam(2)='O6 ', iresid=1, / &rst iat= 9, 15, atnam(1)='O2 ', atnam(2)='H1 ', iresid=1, / &rst iat= 9, 15, atnam(1)='H3 ', atnam(2)='O6 ', iresid=1, /
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