NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
281731 | 2kp4 | cing | 1-original | 2 | AMBER | dihedral angle |
# torsion angle constraints file for FNA hybrids # # torsion angle contraints for F-arabinoses (restricted to no-north) # set to: # gamma1 >0 # gamma2 <5 # delta >100 # # gamma1 (en B~30, en A~-50) res 1 (1 em amber7) &rst iresid=1, iat(1)=1,iat(2)=1,iat(3)=1,iat(4)=1, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -25.0, r2= 0.0, r3= 65.0, r4= 115.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 1 &rst iresid=1, iat(1)=1,iat(2)=1,iat(3)=1,iat(4)=1, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -115.0, r2= -65.0, r3= 5.0, r4= 30.0, rk2 =19.100, rk3 =19.100, &end # DELTA (en B~+135, en A~+80)res 1 &rst iresid=1, iat(1)=1,iat(2)=1,iat(3)=1,iat(4)=1, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', r1= 75.0, r2=100.0, r3= 170.0, r4= 220.0, rk2 =19.100, rk3 =19.100, &end ### # gamma1 (en B~30, en A~-50) res 2 (2 em amber7) &rst iresid=1, iat(1)=2,iat(2)=2,iat(3)=2,iat(4)=2, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -25.0, r2= 0.0, r3= 65.0, r4= 115.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 2 &rst iresid=1, iat(1)=2,iat(2)=2,iat(3)=2,iat(4)=2, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -115.0, r2= -65.0, r3= 5.0, r4= 30.0, rk2 =19.100, rk3 =19.100, &end # DELTA (en B~+135, en A~+80)res 2 &rst iresid=1, iat(1)=2,iat(2)=2,iat(3)=2,iat(4)=2, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', r1= 75.0, r2=100.0, r3= 170.0, r4= 220.0, rk2 =19.100, rk3 =19.100, &end ### # gamma1 (en B~30, en A~-50) res 3 (3 em amber7) &rst iresid=1, iat(1)=3,iat(2)=3,iat(3)=3,iat(4)=3, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -25.0, r2= 0.0, r3= 65.0, r4= 115.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 3 &rst iresid=1, iat(1)=3,iat(2)=3,iat(3)=3,iat(4)=3, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -115.0, r2= -65.0, r3= 5.0, r4= 30.0, rk2 =19.100, rk3 =19.100, &end # DELTA (en B~+135, en A~+80)res 3 &rst iresid=1, iat(1)=3,iat(2)=3,iat(3)=3,iat(4)=3, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', r1= 75.0, r2=100.0, r3= 170.0, r4= 220.0, rk2 =19.100, rk3 =19.100, &end ### # gamma1 (en B~30, en A~-50) res 4 (4 em amber7) &rst iresid=1, iat(1)=4,iat(2)=4,iat(3)=4,iat(4)=4, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -25.0, r2= 0.0, r3= 65.0, r4= 115.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 4 &rst iresid=1, iat(1)=4,iat(2)=4,iat(3)=4,iat(4)=4, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -115.0, r2= -65.0, r3= 5.0, r4= 30.0, rk2 =19.100, rk3 =19.100, &end # DELTA (en B~+135, en A~+80)res 4 &rst iresid=1, iat(1)=4,iat(2)=4,iat(3)=4,iat(4)=4, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', r1= 75.0, r2=100.0, r3= 170.0, r4= 220.0, rk2 =19.100, rk3 =19.100, &end ### # gamma1 (en B~30, en A~-50) res 5 (5 em amber7) &rst iresid=1, iat(1)=5,iat(2)=5,iat(3)=5,iat(4)=5, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -25.0, r2= 0.0, r3= 65.0, r4= 115.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 5 &rst iresid=1, iat(1)=5,iat(2)=5,iat(3)=5,iat(4)=5, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -115.0, r2= -65.0, r3= 5.0, r4= 30.0, rk2 =19.100, rk3 =19.100, &end # DELTA (en B~+135, en A~+80)res 5 &rst iresid=1, iat(1)=5,iat(2)=5,iat(3)=5,iat(4)=5, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', r1= 75.0, r2=100.0, r3= 170.0, r4= 220.0, rk2 =19.100, rk3 =19.100, &end ### # gamma1 (en B~30, en A~-50) res 6 (6 em amber7) &rst iresid=1, iat(1)=6,iat(2)=6,iat(3)=6,iat(4)=6, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -25.0, r2= 0.0, r3= 65.0, r4= 115.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 6 &rst iresid=1, iat(1)=6,iat(2)=6,iat(3)=6,iat(4)=6, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -115.0, r2= -65.0, r3= 5.0, r4= 30.0, rk2 =19.100, rk3 =19.100, &end # DELTA (en B~+135, en A~+80)res 6 &rst iresid=1, iat(1)=6,iat(2)=6,iat(3)=6,iat(4)=6, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', r1= 75.0, r2=100.0, r3= 170.0, r4= 220.0, rk2 =19.100, rk3 =19.100, &end ### # gamma1 (en B~30, en A~-50) res 7 (7 em amber7) &rst iresid=1, iat(1)=7,iat(2)=7,iat(3)=7,iat(4)=7, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -25.0, r2= 0.0, r3= 65.0, r4= 115.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 7 &rst iresid=1, iat(1)=7,iat(2)=7,iat(3)=7,iat(4)=7, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -115.0, r2= -65.0, r3= 5.0, r4= 30.0, rk2 =19.100, rk3 =19.100, &end # DELTA (en B~+135, en A~+80)res 7 &rst iresid=1, iat(1)=7,iat(2)=7,iat(3)=7,iat(4)=7, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', r1= 75.0, r2=100.0, r3= 170.0, r4= 220.0, rk2 =19.100, rk3 =19.100, &end ### # gamma1 (en B~30, en A~-50) res 8 (8 em amber7) &rst iresid=1, iat(1)=8,iat(2)=8,iat(3)=8,iat(4)=8, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -25.0, r2= 0.0, r3= 65.0, r4= 115.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 8 &rst iresid=1, iat(1)=8,iat(2)=8,iat(3)=8,iat(4)=8, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -115.0, r2= -65.0, r3= 5.0, r4= 30.0, rk2 =19.100, rk3 =19.100, &end # DELTA (en B~+135, en A~+80)res 8 &rst iresid=1, iat(1)=8,iat(2)=8,iat(3)=8,iat(4)=8, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', r1= 75.0, r2=100.0, r3= 170.0, r4= 220.0, rk2 =19.100, rk3 =19.100, &end ### # gamma1 (en B~30, en A~-50) res 9 (9 em amber7) &rst iresid=1, iat(1)=9,iat(2)=9,iat(3)=9,iat(4)=9, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -25.0, r2= 0.0, r3= 65.0, r4= 115.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 9 &rst iresid=1, iat(1)=9,iat(2)=9,iat(3)=9,iat(4)=9, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -115.0, r2= -65.0, r3= 5.0, r4= 30.0, rk2 =19.100, rk3 =19.100, &end # DELTA (en B~+135, en A~+80)res 9 &rst iresid=1, iat(1)=9,iat(2)=9,iat(3)=9,iat(4)=9, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', r1= 75.0, r2=100.0, r3= 170.0, r4= 220.0, rk2 =19.100, rk3 =19.100, &end ### # gamma1 (en B~30, en A~-50) res 10 (10 em amber7) &rst iresid=1, iat(1)=10,iat(2)=10,iat(3)=10,iat(4)=10, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -25.0, r2= 0.0, r3= 65.0, r4= 115.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 10 &rst iresid=1, iat(1)=10,iat(2)=10,iat(3)=10,iat(4)=10, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -115.0, r2= -65.0, r3= 5.0, r4= 30.0, rk2 =19.100, rk3 =19.100, &end # DELTA (en B~+135, en A~+80)res 10 &rst iresid=1, iat(1)=10,iat(2)=10,iat(3)=10,iat(4)=10, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', r1= 75.0, r2=100.0, r3= 170.0, r4= 220.0, rk2 =19.100, rk3 =19.100, &end ### ############################################ # torsion angle contraints for RNA (restricted to north) # set to: # gamma1 < -5 # gamma2 >20 # delta >100 # # gamma1 (en B~30, en A~-50) res 11 (11 em amber7) &rst iresid=1, iat(1)=11,iat(2)=11,iat(3)=11,iat(4)=11, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -65.0, r2= -35.0, r3= -5.0, r4= 35.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 11 &rst iresid=1, iat(1)=11,iat(2)=11,iat(3)=11,iat(4)=11, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -5.0, r2= 20.0, r3= 45.0, r4= 75.0, rk2 =19.100, rk3 =19.100, &end #### # # gamma1 (en B~30, en A~-50) res 12 (12 em amber7) &rst iresid=1, iat(1)=12,iat(2)=12,iat(3)=12,iat(4)=12, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -65.0, r2= -35.0, r3= -5.0, r4= 35.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 12 &rst iresid=1, iat(1)=12,iat(2)=12,iat(3)=12,iat(4)=12, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -5.0, r2= 20.0, r3= 45.0, r4= 75.0, rk2 =19.100, rk3 =19.100, &end #### # # gamma1 (en B~30, en A~-50) res 13 (13 em amber7) &rst iresid=1, iat(1)=13,iat(2)=13,iat(3)=13,iat(4)=13, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -65.0, r2= -35.0, r3= -5.0, r4= 35.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 13 &rst iresid=1, iat(1)=13,iat(2)=13,iat(3)=13,iat(4)=13, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -5.0, r2= 20.0, r3= 45.0, r4= 75.0, rk2 =19.100, rk3 =19.100, &end #### # # gamma1 (en B~30, en A~-50) res 14 (14 em amber7) &rst iresid=1, iat(1)=14,iat(2)=14,iat(3)=14,iat(4)=14, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -65.0, r2= -35.0, r3= -5.0, r4= 35.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 14 &rst iresid=1, iat(1)=14,iat(2)=14,iat(3)=14,iat(4)=14, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -5.0, r2= 20.0, r3= 45.0, r4= 75.0, rk2 =19.100, rk3 =19.100, &end #### # # gamma1 (en B~30, en A~-50) res 15 (15 em amber7) &rst iresid=1, iat(1)=15,iat(2)=15,iat(3)=15,iat(4)=15, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -65.0, r2= -35.0, r3= -5.0, r4= 35.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 15 &rst iresid=1, iat(1)=15,iat(2)=15,iat(3)=15,iat(4)=15, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -5.0, r2= 20.0, r3= 45.0, r4= 75.0, rk2 =19.100, rk3 =19.100, &end #### # # gamma1 (en B~30, en A~-50) res 16 (16 em amber7) &rst iresid=1, iat(1)=16,iat(2)=16,iat(3)=16,iat(4)=16, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -65.0, r2= -35.0, r3= -5.0, r4= 35.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 16 &rst iresid=1, iat(1)=16,iat(2)=16,iat(3)=16,iat(4)=16, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -5.0, r2= 20.0, r3= 45.0, r4= 75.0, rk2 =19.100, rk3 =19.100, &end #### # # gamma1 (en B~30, en A~-50) res 17 (17 em amber7) &rst iresid=1, iat(1)=17,iat(2)=17,iat(3)=17,iat(4)=17, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -65.0, r2= -35.0, r3= -5.0, r4= 35.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 17 &rst iresid=1, iat(1)=17,iat(2)=17,iat(3)=17,iat(4)=17, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -5.0, r2= 20.0, r3= 45.0, r4= 75.0, rk2 =19.100, rk3 =19.100, &end #### # # gamma1 (en B~30, en A~-50) res 18 (18 em amber7) &rst iresid=1, iat(1)=18,iat(2)=18,iat(3)=18,iat(4)=18, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -65.0, r2= -35.0, r3= -5.0, r4= 35.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 18 &rst iresid=1, iat(1)=18,iat(2)=18,iat(3)=18,iat(4)=18, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -5.0, r2= 20.0, r3= 45.0, r4= 75.0, rk2 =19.100, rk3 =19.100, &end #### # # gamma1 (en B~30, en A~-50) res 19 (19 em amber7) &rst iresid=1, iat(1)=19,iat(2)=19,iat(3)=19,iat(4)=19, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -65.0, r2= -35.0, r3= -5.0, r4= 35.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 19 &rst iresid=1, iat(1)=19,iat(2)=19,iat(3)=19,iat(4)=19, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -5.0, r2= 20.0, r3= 45.0, r4= 75.0, rk2 =19.100, rk3 =19.100, &end #### # # gamma1 (en B~30, en A~-50) res 20 (20 em amber7) &rst iresid=1, iat(1)=20,iat(2)=20,iat(3)=20,iat(4)=20, atnam(1)='O4''', atnam(2)='C1''', atnam(3)='C2''', atnam(4)='C3''', r1= -65.0, r2= -35.0, r3= -5.0, r4= 35.0, rk2 =19.100, rk3 =19.100, &end # gamma2 (en B~-30, en A~+45)res 20 &rst iresid=1, iat(1)=20,iat(2)=20,iat(3)=20,iat(4)=20, atnam(1)='C1''', atnam(2)='C2''', atnam(3)='C3''', atnam(4)='C4''', r1= -5.0, r2= 20.0, r3= 45.0, r4= 75.0, rk2 =19.100, rk3 =19.100, &end
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