NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
491007 |
2krv   |
cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!alpha o3'-p-o5'-c5' -> 31P all phosphat together, no important downfield
assign (resid 1 and name O3' and segid A) (resid 2 and name P and segid A)
(resid 2 and name O5' and segid A) (resid 2 and name C5' and segid A) 1.0 -68 15 2
assign (resid 2 and name O3' and segid A) (resid 3 and name P and segid A)
(resid 3 and name O5' and segid A) (resid 3 and name C5' and segid A) 1.0 -68 15 2
assign (resid 3 and name O3' and segid A) (resid 4 and name P and segid A)
(resid 4 and name O5' and segid A) (resid 4 and name C5' and segid A) 1.0 -68 15 2
assign (resid 4 and name O3' and segid A) (resid 5 and name P and segid A)
(resid 5 and name O5' and segid A) (resid 5 and name C5' and segid A) 1.0 -68 15 2
assign (resid 5 and name O3' and segid A) (resid 6 and name P and segid A)
(resid 6 and name O5' and segid A) (resid 6 and name C5' and segid A) 1.0 -68 30 2
assign (resid 6 and name O3' and segid A) (resid 7 and name P and segid A)
(resid 7 and name O5' and segid A) (resid 7 and name C5' and segid A) 1.0 0 120 2
assign (resid 7 and name O3' and segid A) (resid 8 and name P and segid A)
(resid 8 and name O5' and segid A) (resid 8 and name C5' and segid A) 1.0 0 120 2
assign (resid 8 and name O3' and segid A) (resid 9 and name P and segid A)
(resid 9 and name O5' and segid A) (resid 9 and name C5' and segid A) 1.0 -68 45 2
assign (resid 9 and name O3' and segid A) (resid 10 and name P and segid A)
(resid 10 and name O5' and segid A) (resid 10 and name C5' and segid A) 1.0 0 120 2
assign (resid 10 and name O3' and segid A) (resid 11 and name P and segid A)
(resid 11 and name O5' and segid A) (resid 11 and name C5' and segid A) 1.0 0 120 2
!assign (resid 11 and name O3' and segid A) (resid 12 and name P and segid A)
! (resid 12 and name O5' and segid A) (resid 12 and name C5' and segid A) 1.0 0 120 2
assign (resid 12 and name O3' and segid A) (resid 13 and name P and segid A)
(resid 13 and name O5' and segid A) (resid 13 and name C5' and segid A) 1.0 -68 30 2
assign (resid 13 and name O3' and segid A) (resid 14 and name P and segid A)
(resid 14 and name O5' and segid A) (resid 14 and name C5' and segid A) 1.0 -68 15 2
assign (resid 14 and name O3' and segid A) (resid 15 and name P and segid A)
(resid 15 and name O5' and segid A) (resid 15 and name C5' and segid A) 1.0 -68 15 2
assign (resid 15 and name O3' and segid A) (resid 16 and name P and segid A)
(resid 16 and name O5' and segid A) (resid 16 and name C5' and segid A) 1.0 -68 15 2
assign (resid 16 and name O3' and segid A) (resid 17 and name P and segid A)
(resid 17 and name O5' and segid A) (resid 17 and name C5' and segid A) 1.0 -68 15 2
!ZETA C3'-O3'-P-O5' 31P all together +- 0.7ppm
assign (resid 1 and name C3' and segid A) (resid 1 and name O3' and segid A)
(resid 2 and name P and segid A) (resid 2 and name O5' and segid A) 1.0 -71 15 2
assign (resid 2 and name C3' and segid A) (resid 2 and name O3' and segid A)
(resid 3 and name P and segid A) (resid 3 and name O5' and segid A) 1.0 -71 15 2
assign (resid 3 and name C3' and segid A) (resid 3 and name O3' and segid A)
(resid 4 and name P and segid A) (resid 4 and name O5' and segid A) 1.0 -71 15 2
assign (resid 4 and name C3' and segid A) (resid 4 and name O3' and segid A)
(resid 5 and name P and segid A) (resid 5 and name O5' and segid A) 1.0 -71 15 2
assign (resid 5 and name C3' and segid A) (resid 5 and name O3' and segid A)
(resid 6 and name P and segid A) (resid 6 and name O5' and segid A) 1.0 -71 30 2
assign (resid 6 and name C3' and segid A) (resid 6 and name O3' and segid A)
(resid 7 and name P and segid A) (resid 7 and name O5' and segid A) 1.0 -71 30 2
assign (resid 7 and name C3' and segid A) (resid 7 and name O3' and segid A)
(resid 8 and name P and segid A) (resid 8 and name O5' and segid A) 1.0 0 120 2
assign (resid 8 and name C3' and segid A) (resid 8 and name O3' and segid A)
(resid 9 and name P and segid A) (resid 9 and name O5' and segid A) 1.0 -71 45 2
assign (resid 9 and name C3' and segid A) (resid 9 and name O3' and segid A)
(resid 10 and name P and segid A) (resid 10 and name O5' and segid A) 1.0 0 120 2
assign (resid 10 and name C3' and segid A) (resid 10 and name O3' and segid A)
(resid 11 and name P and segid A) (resid 11 and name O5' and segid A) 1.0 0 120 2
!assign (resid 11 and name C3' and segid A) (resid 11 and name O3' and segid A)
! (resid 12 and name P and segid A) (resid 12 and name O5' and segid A) 1.0 0 120 2
assign (resid 12 and name C3' and segid A) (resid 12 and name O3' and segid A)
(resid 13 and name P and segid A) (resid 13 and name O5' and segid A) 1.0 -71 30 2
assign (resid 13 and name C3' and segid A) (resid 13 and name O3' and segid A)
(resid 14 and name P and segid A) (resid 14 and name O5' and segid A) 1.0 -71 15 2
assign (resid 14 and name C3' and segid A) (resid 14 and name O3' and segid A)
(resid 15 and name P and segid A) (resid 15 and name O5' and segid A) 1.0 -71 15 2
assign (resid 15 and name C3' and segid A) (resid 15 and name O3' and segid A)
(resid 16 and name P and segid A) (resid 16 and name O5' and segid A) 1.0 -71 15 2
assign (resid 16 and name C3' and segid A) (resid 16 and name O3' and segid A)
(resid 17 and name P and segid A) (resid 17 and name O5' and segid A) 1.0 -71 15 2
!beta P-O5'-C5'-C4' stem standard A-form, no restraints for loop (see cosy for restraints: small 3JH4'-H5' and 3JH4'-H5'' -> gauche+),
! important 3JH4'-H5' and 3JH4'-H5'' => trans or gauche (-))
assign (resid 2 and name P and segid A) (resid 2 and name O5' and segid A)
(resid 2 and name C5' and segid A) (resid 2 and name C4' and segid A) 1.0 178 15 2
assign (resid 3 and name P and segid A) (resid 3 and name O5' and segid A)
(resid 3 and name C5' and segid A) (resid 3 and name C4' and segid A) 1.0 178 15 2
assign (resid 4 and name P and segid A) (resid 4 and name O5' and segid A)
(resid 4 and name C5' and segid A) (resid 4 and name C4' and segid A) 1.0 178 15 2
assign (resid 5 and name P and segid A) (resid 5 and name O5' and segid A)
(resid 5 and name C5' and segid A) (resid 5 and name C4' and segid A) 1.0 178 15 2
assign (resid 6 and name P and segid A) (resid 6 and name O5' and segid A)
(resid 6 and name C5' and segid A) (resid 6 and name C4' and segid A) 1.0 178 30 2
assign (resid 13 and name P and segid A) (resid 13 and name O5' and segid A)
(resid 13 and name C5' and segid A) (resid 13 and name C4' and segid A) 1.0 178 15 2
assign (resid 14 and name P and segid A) (resid 14 and name O5' and segid A)
(resid 14 and name C5' and segid A) (resid 14 and name C4' and segid A) 1.0 178 15 2
assign (resid 15 and name P and segid A) (resid 15 and name O5' and segid A)
(resid 15 and name C5' and segid A) (resid 15 and name C4' and segid A) 1.0 178 15 2
assign (resid 16 and name P and segid A) (resid 16 and name O5' and segid A)
(resid 16 and name C5' and segid A) (resid 16 and name C4' and segid A) 1.0 178 15 2
assign (resid 17 and name P and segid A) (resid 17 and name O5' and segid A)
(resid 17 and name C5' and segid A) (resid 17 and name C4' and segid A) 1.0 178 15 2
!gamma O5'-C5'-C4'-C3' (gauche (+) 60+-30) stem A-form (31P heterotocsy -> 4JPH4' coupling)
assign (resid 1 and name O5' and segid A) (resid 1 and name C5' and segid A)
(resid 1 and name C4' and segid A) (resid 1 and name C3' and segid A) 1.0 54 15 2
assign (resid 2 and name O5' and segid A) (resid 2 and name C5' and segid A)
(resid 2 and name C4' and segid A) (resid 2 and name C3' and segid A) 1.0 54 15 2
assign (resid 3 and name O5' and segid A) (resid 3 and name C5' and segid A)
(resid 3 and name C4' and segid A) (resid 3 and name C3' and segid A) 1.0 54 15 2
assign (resid 4 and name O5' and segid A) (resid 4 and name C5' and segid A)
(resid 4 and name C4' and segid A) (resid 4 and name C3' and segid A) 1.0 54 15 2
assign (resid 5 and name O5' and segid A) (resid 5 and name C5' and segid A)
(resid 5 and name C4' and segid A) (resid 5 and name C3' and segid A) 1.0 54 15 2
assign (resid 6 and name O5' and segid A) (resid 6 and name C5' and segid A)
(resid 6 and name C4' and segid A) (resid 6 and name C3' and segid A) 1.0 54 30 2
assign (resid 13 and name O5' and segid A) (resid 13 and name C5' and segid A)
(resid 13 and name C4' and segid A) (resid 13 and name C3' and segid A) 1.0 54 15 2
assign (resid 14 and name O5' and segid A) (resid 14 and name C5' and segid A)
(resid 14 and name C4' and segid A) (resid 14 and name C3' and segid A) 1.0 54 15 2
assign (resid 15 and name O5' and segid A) (resid 15 and name C5' and segid A)
(resid 15 and name C4' and segid A) (resid 15 and name C3' and segid A) 1.0 54 15 2
assign (resid 16 and name O5' and segid A) (resid 16 and name C5' and segid A)
(resid 16 and name C4' and segid A) (resid 16 and name C3' and segid A) 1.0 54 15 2
assign (resid 17 and name O5' and segid A) (resid 17 and name C5' and segid A)
(resid 17 and name C4' and segid A) (resid 17 and name C3' and segid A) 1.0 54 15 2
!DELTA SUGAR PUCKER C5'-C4'-C3'-O3' 85+-15 c3'-endo; 160+-30 c2'-endo cosy 3JH1'-H2'
assign (resid 1 and name C5' and segid A) (resid 1 and name C4' and segid A)
(resid 1 and name C3' and segid A) (resid 1 and name O3' and segid A) 1.0 85 15 2
assign (resid 2 and name C5' and segid A) (resid 2 and name C4' and segid A)
(resid 2 and name C3' and segid A) (resid 2 and name O3' and segid A) 1.0 85 15 2
assign (resid 3 and name C5' and segid A) (resid 3 and name C4' and segid A)
(resid 3 and name C3' and segid A) (resid 3 and name O3' and segid A) 1.0 85 15 2
assign (resid 4 and name C5' and segid A) (resid 4 and name C4' and segid A)
(resid 4 and name C3' and segid A) (resid 4 and name O3' and segid A) 1.0 85 15 2
assign (resid 5 and name C5' and segid A) (resid 5 and name C4' and segid A)
(resid 5 and name C3' and segid A) (resid 5 and name O3' and segid A) 1.0 85 15 2
assign (resid 6 and name C5' and segid A) (resid 6 and name C4' and segid A)
(resid 6 and name C3' and segid A) (resid 6 and name O3' and segid A) 1.0 85 25 2
assign (resid 12 and name C5' and segid A) (resid 12 and name C4' and segid A)
(resid 12 and name C3' and segid A) (resid 12 and name O3' and segid A) 1.0 85 25 2
assign (resid 13 and name C5' and segid A) (resid 13 and name C4' and segid A)
(resid 13 and name C3' and segid A) (resid 13 and name O3' and segid A) 1.0 85 15 2
assign (resid 14 and name C5' and segid A) (resid 14 and name C4' and segid A)
(resid 14 and name C3' and segid A) (resid 14 and name O3' and segid A) 1.0 85 15 2
assign (resid 15 and name C5' and segid A) (resid 15 and name C4' and segid A)
(resid 15 and name C3' and segid A) (resid 15 and name O3' and segid A) 1.0 85 15 2
assign (resid 16 and name C5' and segid A) (resid 16 and name C4' and segid A)
(resid 16 and name C3' and segid A) (resid 16 and name O3' and segid A) 1.0 85 15 2
!sugar pucker C2'-endo => C35, A34 and A37 145+_ 30
assign (resid 11 and name C5' and segid A) (resid 11 and name C4' and segid A)
(resid 11 and name C3' and segid A) (resid 11 and name O3' and segid A) 1.0 160 30 2
assign (resid 8 and name C5' and segid A) (resid 8 and name C4' and segid A)
(resid 8 and name C3' and segid A) (resid 8 and name O3' and segid A) 1.0 160 30 2
assign (resid 9 and name C5' and segid A) (resid 9 and name C4' and segid A)
(resid 9 and name C3' and segid A) (resid 9 and name O3' and segid A) 1.0 160 30 2
!sugar pucker G36 U33, G43 => unrestrained
! CHI PURINE O4'-C1'-N9-C4 -158 Chi angle for C2'-endo residue -130+-40 (C35, U34 and A37)
! PYRIMIDINE O4'-C1'-N1-C2 based on intra-noe H8/H6-H1'
assign (resid 1 and name O4' and segid A) (resid 1 and name C1' and segid A)
(resid 1 and name N1 and segid A) (resid 1 and name C2 and segid A) 1.0 -158 15 2
assign (resid 2 and name O4' and segid A) (resid 2 and name C1' and segid A)
(resid 2 and name N1 and segid A) (resid 2 and name C2 and segid A) 1.0 -158 15 2
assign (resid 3 and name O4' and segid A) (resid 3 and name C1' and segid A)
(resid 3 and name N1 and segid A) (resid 3 and name C2 and segid A) 1.0 -158 15 2
assign (resid 4 and name O4' and segid A) (resid 4 and name C1' and segid A)
(resid 4 and name N9 and segid A) (resid 4 and name C4 and segid A) 1.0 -158 15 2
assign (resid 5 and name O4' and segid A) (resid 5 and name C1' and segid A)
(resid 5 and name N9 and segid A) (resid 5 and name C4 and segid A) 1.0 -158 15 2
assign (resid 6 and name O4' and segid A) (resid 6 and name C1' and segid A)
(resid 6 and name N1 and segid A) (resid 6 and name C2 and segid A) 1.0 -158 30 2
!assign (resid 7 and name O4' and segid A) (resid 7 and name C1' and segid A)
! (resid 7 and name N1 and segid A) (resid 7 and name C2 and segid A) 1.0 -158 30 2
!assign (resid 8 and name O4' and segid A) (resid 8 and name C1' and segid A)
! (resid 8 and name N9 and segid A) (resid 8 and name C4 and segid A) 1.0 -158 40 2
!assign (resid 9 and name O4' and segid A) (resid 9 and name C1' and segid A)
! (resid 9 and name N1 and segid A) (resid 9 and name C2 and segid A) 1.0 -158 40 2
!assign (resid 11 and name O4' and segid A) (resid 11 and name C1' and segid A)
! (resid 11 and name N9 and segid A) (resid 11 and name C4 and segid A) 1.0 -158 40 2
!assign (resid 12 and name O4' and segid A) (resid 12 and name C1' and segid A)
! (resid 12 and name N9 and segid A) (resid 12 and name C4 and segid A) 1.0 -158 40 2
assign (resid 13 and name O4' and segid A) (resid 13 and name C1' and segid A)
(resid 13 and name N1 and segid A) (resid 13 and name C2 and segid A) 1.0 -158 30 2
assign (resid 14 and name O4' and segid A) (resid 14 and name C1' and segid A)
(resid 14 and name N1 and segid A) (resid 14 and name C2 and segid A) 1.0 -158 15 2
assign (resid 15 and name O4' and segid A) (resid 15 and name C1' and segid A)
(resid 15 and name N9 and segid A) (resid 15 and name C4 and segid A) 1.0 -158 15 2
assign (resid 16 and name O4' and segid A) (resid 16 and name C1' and segid A)
(resid 16 and name N9 and segid A) (resid 16 and name C4 and segid A) 1.0 -158 15 2
assign (resid 17 and name O4' and segid A) (resid 17 and name C1' and segid A)
(resid 17 and name N9 and segid A) (resid 17 and name C4 and segid A) 1.0 -158 15 2
!chi syn for G36 60 +_30 syn residue
!assign (resid 10 and name O4' and segid A) (resid 10 and name C1' and segid A)
! (resid 10 and name N9 and segid A) (resid 10 and name C4 and segid A) 1.0 60 40 2
! EPSILON C4'-C3'-O3'-P stem A form -153; loop residues constraint to avoid gauche+ conformation (steric clashes)
assign (resid 1 and name C4' and segid A) (resid 1 and name C3' and segid A)
(resid 1 and name O3' and segid A) (resid 2 and name P and segid A) 1.0 -153 15 2
assign (resid 2 and name C4' and segid A) (resid 2 and name C3' and segid A)
(resid 2 and name O3' and segid A) (resid 3 and name P and segid A) 1.0 -153 15 2
assign (resid 3 and name C4' and segid A) (resid 3 and name C3' and segid A)
(resid 3 and name O3' and segid A) (resid 4 and name P and segid A) 1.0 -153 15 2
assign (resid 4 and name C4' and segid A) (resid 4 and name C3' and segid A)
(resid 4 and name O3' and segid A) (resid 5 and name P and segid A) 1.0 -153 15 2
assign (resid 5 and name C4' and segid A) (resid 5 and name C3' and segid A)
(resid 5 and name O3' and segid A) (resid 6 and name P and segid A) 1.0 -153 15 2
assign (resid 6 and name C4' and segid A) (resid 6 and name C3' and segid A)
(resid 6 and name O3' and segid A) (resid 7 and name P and segid A) 1.0 -153 30 2
assign (resid 7 and name C4' and segid A) (resid 7 and name C3' and segid A)
(resid 7 and name O3' and segid A) (resid 8 and name P and segid A) 1.0 -120 120 2
assign (resid 8 and name C4' and segid A) (resid 8 and name C3' and segid A)
(resid 8 and name O3' and segid A) (resid 9 and name P and segid A) 1.0 -120 120 2
assign (resid 9 and name C4' and segid A) (resid 9 and name C3' and segid A)
(resid 9 and name O3' and segid A) (resid 10 and name P and segid A) 1.0 -120 120 2
assign (resid 10 and name C4' and segid A) (resid 10 and name C3' and segid A)
(resid 10 and name O3' and segid A) (resid 11 and name P and segid A) 1.0 -120 120 2
assign (resid 11 and name C4' and segid A) (resid 11 and name C3' and segid A)
(resid 11 and name O3' and segid A) (resid 12 and name P and segid A) 1.0 -120 120 2
assign (resid 12 and name C4' and segid A) (resid 12 and name C3' and segid A)
(resid 12 and name O3' and segid A) (resid 13 and name P and segid A) 1.0 -153 30 2
assign (resid 13 and name C4' and segid A) (resid 13 and name C3' and segid A)
(resid 13 and name O3' and segid A) (resid 14 and name P and segid A) 1.0 -153 15 2
assign (resid 14 and name C4' and segid A) (resid 14 and name C3' and segid A)
(resid 14 and name O3' and segid A) (resid 15 and name P and segid A) 1.0 -153 15 2
assign (resid 15 and name C4' and segid A) (resid 15 and name C3' and segid A)
(resid 15 and name O3' and segid A) (resid 16 and name P and segid A) 1.0 -153 15 2
assign (resid 16 and name C4' and segid A) (resid 16 and name C3' and segid A)
(resid 16 and name O3' and segid A) (resid 17 and name P and segid A) 1.0 -153 15 2
Contact the webmaster for help, if required. Sunday, April 28, 2024 12:16:48 PM GMT (wattos1)