NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
630395 | 5oph | 34168 | cing | 1-original | 5 | AMBER | planarity |
# PLANARITY RESTRAINTS # # FIRST QUARTET: 1-22-13-10 # # 1-22 # planaritets restraint: N9 N7 N1 N3 &rst iat=1,1,22,22, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=1,1,22,22, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=1,1,22,22, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # 22-13 # planarity restraints: N9 N7 N1 N3 &rst iat=22,22,13,13, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=22,22,13,13, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=22,22,13,13, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # 13-10 # planaritets restraint: N9 N7 N1 N3 &rst iat=13,13,10,10, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=13,13,10,10, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=13,13,10,10, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # 10-1 # planarity restraints: N9 N7 N1 N3 &rst iat=22,22,1,1, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=22,22,1,1, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=22,22,1,1, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # SECOND QUARTET: 2-9-14-21 # 2-9 # planaritets restraint: N9 N7 N1 N3 &rst iat=2,2,9,9, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=2,2,9,9, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=2,2,9,9, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # 9-14 # planarity restraints: N9 N7 N1 N3 &rst iat=9,9,14,14, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=9,9,14,14, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=9,9,14,14, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # 14-21 # planarity restraints: N9 N7 N1 N3 &rst iat=14,14,21,21, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=14,14,21,21, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=14,14,21,21, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # 21-2 # planarity restraints: N9 N7 N1 N3 &rst iat=21,21,2,2, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=21,21,2,2, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=21,21,2,2, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # #THIRD QUARTET: 3-20-15-8 # 3-20 # planaritets restraint: N9 N7 N1 N3 &rst iat=3,3,20,20, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=3,3,20,20, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=3,3,20,20, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # 20-15 # planarity restraints: N9 N7 N1 N3 &rst iat=20,20,15,15, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=20,20,15,15, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=20,20,15,15, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # 15-8 # planarity restraints: N9 N7 N1 N3 &rst iat=15,15,8,8, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=15,15,8,8, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=15,15,8,8, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # 8-3 # planarity restraints: N9 N7 N1 N3 &rst iat=8,8,3,3, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=8,8,3,3, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=8,8,3,3, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # # # # # # # # #FOURTH QUARTET: 4-7-16-19 # 4-7 # planarity restraints: N9 N7 N1 N3 &rst iat=4,4,7,7, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=4,4,7,7, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=4,4,7,7, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # 7-16 # planarity restraints: N9 N7 N1 N3 &rst iat=7,7,16,16, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=7,7,16,16, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=7,7,16,16, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # 16-19 # planarity restraints: N9 N7 N1 N3 &rst iat=16,16,19,19, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=16,16,19,19, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=16,16,19,19, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # 19-4 # planarity restraints: N9 N7 N1 N3 &rst iat=19,19,4,4, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C5 C2 N7 C4 &rst iat=19,19,4,4, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # planaritets restraint: C2 C8 C2 C8 &rst iat=19,19,4,4, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end # # # # #
Contact the webmaster for help, if required. Friday, March 29, 2024 12:20:16 AM GMT (wattos1)