NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
476100 | 1bau | cing | 1-original | 8 | AMBER | dihedral angle |
################################# # G7 Bform with 10-15deg slack # ################################# # torsion angle constraint number 1 &rst iat = 7, 7, 7, 7, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = -54.0, r2 = -45.0, r3 = -30.0, r4 = -22.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 7, 7, 7, 7, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = 5.0, r2 = 10.0, r3 = 30.0, r4 = 40.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 7, 7, 7, 7, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = -10.0, r2 = -1.0, r3 = 14.0, r4 = 24.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 7, 7, 7, 7, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -40.0, r2 = -35.0, r3 = -25.0, r4 = -16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 7, 7, 7, 7, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = 25.0, r2 = 35.0, r3 = 45.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end # G30 Bform with 10-15deg slack # torsion angle constraint number 1 &rst iat = 30, 30, 30, 30, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ', r1 = -54.0, r2 = -45.0, r3 = -30.0, r4 = -22.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 2 &rst iat = 30, 30, 30, 30, iresid = 1, atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ', r1 = 5.0, r2 = 10.0, r3 = 30.0, r4 = 40.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 3 &rst iat = 30, 30, 30, 30, iresid = 1, atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = -10.0, r2 = -1.0, r3 = 14.0, r4 = 24.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 4 &rst iat = 30, 30, 30, 30, iresid = 1, atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ', r1 = -40.0, r2 = -35.0, r3 = -25.0, r4 = -16.0, rk2 =30.001, rk3 =30.001, &end # torsion angle constraint number 5 &rst iat = 30, 30, 30, 30, iresid = 1, atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ', r1 = 25.0, r2 = 35.0, r3 = 45.0, r4 = 50.0, rk2 =30.001, rk3 =30.001, &end ######################################################### ## Backbone-torsion for dimer RNA molecule ## ######################################################### # torsion angle constraint number 2 beta &rst iat = 2, 2, 2, 2, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 2, 2, 2, 2, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 2, 2, 2, 3, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 2, 2, 3, 3, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 2, 3, 3, 3, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 3, 3, 3, 3, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 3, 3, 3, 3, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 3, 3, 3, 4, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 3, 3, 4, 4, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 3, 4, 4, 4, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 4, 4, 4, 4, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 4, 4, 4, 4, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 4, 4, 4, 5, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 4, 4, 5, 5, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 4, 5, 5, 5, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 5, 5, 5, 5, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 5, 5, 5, 5, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 5, 5, 5, 6, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 5, 5, 6, 6, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 5, 6, 6, 6, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 6, 6, 6, 6, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 6, 6, 6, 6, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 6, 6, 6, 7, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 6, 6, 7, 7, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end ############### # SECOND ARM # ############### # torsion angle constraint number 1 alpha &rst iat = 17, 18, 18, 18, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 18, 18, 18, 18, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 18, 18, 18, 18, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 18, 18, 18, 19, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 18, 18, 19, 19, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 18, 19, 19, 19, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 19, 19, 19, 19, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 19, 19, 19, 19, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 19, 19, 19, 20, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 19, 19, 20, 20, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 19, 20, 20, 20, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 20, 20, 20, 20, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 20, 20, 20, 20, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 20, 20, 20, 21, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 20, 20, 21, 21, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 20, 21, 21, 21, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 21, 21, 21, 21, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 21, 21, 21, 21, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 21, 21, 21, 22, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 21, 21, 22, 22, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 21, 22, 22, 22, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 22, 22, 22, 22, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 22, 22, 22, 22, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 22, 22, 22, 23, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 22, 22, 23, 23, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 22, 23, 23, 23, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 23, 23, 23, 23, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 23, 23, 23, 23, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end ## SECOND HAIRPIN # torsion angle constraint number 2 beta &rst iat = 25, 25, 25, 25, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 25, 25, 25, 25, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 25, 25, 25, 26, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 25, 25, 26, 26, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 25, 26, 26, 26, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 26, 26, 26, 26, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 26, 26, 26, 26, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 26, 26, 26, 27, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 26, 26, 27, 27, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 26, 27, 27, 27, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 27, 27, 27, 27, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 27, 27, 27, 27, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 27, 27, 27, 28, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 27, 27, 28, 28, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 27, 28, 28, 28, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 28, 28, 28, 28, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 28, 28, 28, 28, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 28, 28, 28, 29, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 28, 28, 29, 29, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 28, 29, 29, 29, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 29, 29, 29, 29, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 29, 29, 29, 29, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 29, 29, 29, 30, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 29, 29, 30, 30, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 40, 41, 41, 41, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 41, 41, 41, 41, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 41, 41, 41, 41, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 41, 41, 41, 42, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 41, 41, 42, 42, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 41, 42, 42, 42, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 42, 42, 42, 42, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 42, 42, 42, 42, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 42, 42, 42, 43, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 42, 42, 43, 43, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 42, 43, 43, 43, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 43, 43, 43, 43, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 43, 43, 43, 43, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 43, 43, 43, 44, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 43, 43, 44, 44, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 43, 44, 44, 44, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 44, 44, 44, 44, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 44, 44, 44, 44, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 44, 44, 44, 45, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 44, 44, 45, 45, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 44, 45, 45, 45, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 45, 45, 45, 45, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 45, 45, 45, 45, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 45, 45, 45, 46, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 5 zeta &rst iat = 45, 45, 46, 46, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 1 alpha &rst iat = 45, 46, 46, 46, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 2 beta &rst iat = 46, 46, 46, 46, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 =15.001, rk3 =15.001, &end # torsion angle constraint number 3 gamma &rst iat = 46, 46, 46, 46, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 =15.001, rk3 =15.001, &end ################################### # CENTRAL HELIX BACKBONE TORSIONS # ################################### # C11 # torsion angle constraint number 1 alpha &rst iat = 10, 11, 11, 11, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 2 beta &rst iat = 11, 11, 11, 11, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 3 gamma &rst iat = 11, 11, 11, 11, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 11, 11, 11, 12, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 5 zeta &rst iat = 11, 11, 12, 12, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 = 15.001, rk3 = 15.001, &end # G12 # torsion angle constraint number 1 alpha &rst iat = 11, 12, 12, 12, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 2 beta &rst iat = 12, 12, 12, 12, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 3 gamma &rst iat = 12, 12, 12, 12, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 12, 12, 12, 13, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 5 zeta &rst iat = 12, 12, 13, 13, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 = 15.001, rk3 = 15.001, &end # C13 # torsion angle constraint number 1 alpha &rst iat = 12, 13, 13, 13, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 2 beta &rst iat = 13, 13, 13, 13, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 3 gamma &rst iat = 13, 13, 13, 13, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 13, 13, 13, 14, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 5 zeta &rst iat = 13, 13, 14, 14, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 = 15.001, rk3 = 15.001, &end # G14 # torsion angle constraint number 1 alpha &rst iat = 13, 14, 14, 14, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 2 beta &rst iat = 14, 14, 14, 14, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 3 gamma &rst iat = 14, 14, 14, 14, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 14, 14, 14, 15, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 5 zeta &rst iat = 14, 14, 15, 15, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 = 15.001, rk3 = 15.001, &end # C34 # torsion angle constraint number 1 alpha &rst iat = 33, 34, 34, 34, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 2 beta &rst iat = 34, 34, 34, 34, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 3 gamma &rst iat = 34, 34, 34, 34, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 34, 34, 34, 35, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 5 zeta &rst iat = 34, 34, 35, 35, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 = 15.001, rk3 = 15.001, &end # G35 # torsion angle constraint number 1 alpha &rst iat = 34, 35, 35, 35, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 2 beta &rst iat = 35, 35, 35, 35, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 3 gamma &rst iat = 35, 35, 35, 35, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 35, 35, 35, 36, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 5 zeta &rst iat = 35, 35, 36, 36, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 = 15.001, rk3 = 15.001, &end # C36 # torsion angle constraint number 1 alpha &rst iat = 35, 36, 36, 36, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 2 beta &rst iat = 36, 36, 36, 36, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 3 gamma &rst iat = 36, 36, 36, 36, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 36, 36, 36, 37, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 5 zeta &rst iat = 36, 36, 37, 37, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 = 15.001, rk3 = 15.001, &end # G37 # torsion angle constraint number 1 alpha &rst iat = 36, 37, 37, 37, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 2 beta &rst iat = 37, 37, 37, 37, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 3 gamma &rst iat = 37, 37, 37, 37, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 4 epsilon &rst iat = 37, 37, 37, 38, iresid = 1, atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, rk2 = 15.001, rk3 = 15.001, &end # torsion angle constraint number 5 zeta &rst iat = 37, 37, 38, 38, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, rk2 = 15.001, rk3 = 15.001, &end
Contact the webmaster for help, if required. Friday, March 29, 2024 1:18:53 PM GMT (wattos1)