NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
14500 |
1wwe   |
cing | 1-original | 1 | DYANA/DIANA | distance | general distance | simple |
############################################################### ######## Begin NC-linker ############################################################### # # CONTAINS PSEUDOATOM CORRECTIONS!!!!! # # Upper limit restraints of MMLV Nucleocapsid Protein # April 2003, MFS, VDS #----------------------------------------------------------- #Begin NC restraints #----------------------------------------------------------------- # ZN Ligands #----------------------------------------------------------------- 39 CYSZ ZN 26 CYS- CB 3.5 10.00E+00 39 CYSZ ZN 29 CYS- CB 3.5 10.00E+00 #39 CYSZ ZN 39 CYSZ CB 3.5 1.00E+00 #Defined in lib 39 CYSZ ZN 26 CYS- SG 2.30 10.00E+00 39 CYSZ ZN 29 CYS- SG 2.30 10.00E+00 39 CYSZ ZN 39 CYSZ SG 2.30 10.00E+00 39 CYSZ ZN 34 HIS NE2 1.95 10.00E+00 #----------------------------------------------------------------- # ZN Geometry #----------------------------------------------------------------- 39 CYSZ SG 26 CYS- SG 3.85 10.00E+00 39 CYSZ SG 29 CYS- SG 3.85 10.00E+00 26 CYS- SG 29 CYS- SG 3.85 10.00E+00 39 CYSZ SG 34 HIS NE2 3.85 10.00E+00 26 CYS- SG 34 HIS NE2 3.85 10.00E+00 29 CYS- SG 34 HIS NE2 3.85 10.00E+00 #----------------------------------------------------------------- # NC Protein Hydrogen Bonds #----------------------------------------------------------------- #N-Terminal Tail 21 LEU N 18 ARG O 3.00 1.00E+00 21 LEU HN 18 ARG O 2.00 1.00E+00 25 GLN N 22 ASP- O 3.00 1.00E+00 25 GLN HN 22 ASP- O 2.00 1.00E+00 33 GLY N 24 ASP- O 3.10 1.00E+00 33 GLY HN 24 ASP- O 2.10 1.00E+00 #Zinc Finger 26 CYS- N 31 GLU- O 3.00 1.00E+00 26 CYS- HN 31 GLU- O 2.00 1.00E+00 #30 LYS N 26 CYS- O 3.00 1.00E+00 #30 LYS HN 26 CYS- O 2.00 1.00E+00 28 TYR HN 26 CYS- SG 2.65 1.00E+00 28 TYR N 26 CYS- SG 3.65 1.00E+00 31 GLU- HN 29 CYS- SG 2.55 1.00E+00 31 GLU- N 29 CYS- SG 3.65 1.00E+00 29 CYS- HN 26 CYS- SG 2.65 1.00E+00 29 CYS- N 26 CYS- SG 3.65 1.00E+00 38 ASP- N 35 TRP O 3.00 1.00E+00 38 ASP- HN 35 TRP O 2.00 1.00E+00 39 CYSZ N 36 ALA O 3.00 1.00E+00 39 CYSZ HN 36 ALA O 2.00 1.00E+00 41 LYS HN 39 CYSZ SG 2.65 1.00E+00 41 LYS N 39 CYSZ SG 3.65 1.00E+00 42 LYS HN 39 CYSZ O 2.20 1.00E+00 # Longer due to Proline turn 42 LYS N 39 CYSZ O 3.20 1.00E+00 # Longer due to Proline turn # Unusual H-bonds 23 ARG O 35 TRP HE1 2.00 1.00E+00 23 ARG O 35 TRP NE1 3.00 1.00E+00 #31 GLU- OE2 41 LYS NZ 3.40 1.00E+00 #----------------------------------------------------------------- # NC Protien NOEs #----------------------------------------------------------------- # ARG 18 18 ARG QD 21 LEU QD1 4.6 1.00E+00 18 ARG QB 21 LEU QD1 4.6 1.00E+00 # SER 19 19 SER QB 30 LYS QE 6.3 1.00E+00 # GLN 20 20 GLN HA 21 LEU HN 3.30 1.00E+00 # LEU 21 21 LEU HA 22 ASP- HN 2.70 1.00E+00 21 LEU HA 21 LEU QD2 3.30 1.00E+00 21 LEU QD2 22 ASP- HN 3.80 1.00E+00 #LEU 21 QD2 upfield 21 LEU QD2 23 ARG HA 5.50 1.00E+00 21 LEU QD2 25 GLN QB 4.60 1.00E+00 #21 LEU QD1 27 ALA HA 3.80 1.00E+00 #SD via QB #21 LEU QD2 27 ALA HA 5.50 1.00E+00 #SD via QB 21 LEU QD1 27 ALA QB 5.50 1.00E+00 21 LEU QD2 27 ALA QB 5.50 1.00E+00 21 LEU QD2 30 LYS QE 6.30 1.00E+00 # ASP-22 22 ASP- HA 23 ARG HN 2.70 1.00E+00 22 ASP- HN 25 GLN QB 3.50 1.00E+00 # ARG 23 23 ARG HN 24 ASP- HN 2.70 1.00E+00 23 ARG HA 25 GLN HN 5.00 1.00E+00 23 ARG HA 35 TRP HE1 5.00 1.00E+00 23 ARG HA 35 TRP HZ2 5.00 1.00E+00 23 ARG QG 35 TRP HZ2 5.80 1.00E+00 23 ARG QD 35 TRP HZ2 5.80 1.00E+00 # ASP-24 24 ASP- HN 25 GLN HN 2.70 1.00E+00 24 ASP- HA 35 TRP HE1 5.00 1.00E+00 24 ASP- HA 35 TRP HD1 5.00 1.00E+00 24 ASP- QB 33 GLY HN 5.50 1.00E+00 # GLN 25 25 GLN HA 26 CYS- HN 2.70 1.00E+00 25 GLN HA 32 LYS HA 5.00 1.00E+00 25 GLN HA 33 GLY HN 5.00 1.00E+00 25 GLN HN 35 TRP HE1 5.00 1.00E+00 # CYS 26 27 ALA HN 26 CYS- HA 2.70 1.00E+00 26 CYS- HA 26 CYS- HB2 2.70 1.00E+00 26 CYS- HN 26 CYS- HB3 2.70 1.00E+00 26 CYS- HA 28 TYR HN 5.00 1.00E+00 26 CYS- HA 35 TRP HA 3.30 1.00E+00 26 CYS- HN 32 LYS HA 5.00 1.00E+00 26 CYS- HB3 30 LYS HN 5.00 1.00E+00 26 CYS- HB3 31 GLU- HN 2.70 1.00E+00 26 CYS- HB3 29 CYS- HN 3.30 1.00E+00 26 CYS- HB2 34 HIS HD2 3.30 1.00E+00 26 CYS- HA 36 ALA HN 5.00 1.00E+00 # ALA 27 27 ALA HN 28 TYR HN 2.90 1.00E+00 27 ALA QB 28 TYR HN 5.50 1.00E+00 27 ALA QB 36 ALA QB 4.30 1.00E+00 27 ALA HN 36 ALA QB 5.50 1.00E+00 27 ALA HA 30 LYS HN 5.00 1.00E+00 27 ALA HA 30 LYS QE 5.80 1.00E+00 # TYR 28 28 TYR HN 29 CYS- HN 2.90 1.00E+00 28 TYR HN 28 TYR HB2 2.70 1.00E+00 28 TYR HN 36 ALA HA 5.00 1.00E+00 28 TYR HN 36 ALA QB 5.50 1.00E+00 28 TYR HB2 36 ALA QB 5.50 1.00E+00 #28 TYR HD1 36 ALA QB 5.50 1.00E+00 28 TYR QD 41 LYS QB 5.90 1.00E+00 28 TYR QE 41 LYS QD 5.90 1.00E+00 28 TYR QE 41 LYS QE 5.90 1.00E+00 28 TYR QE 42 LYS HA 5.10 1.00E+00 28 TYR QE 43 PRO HD2 5.10 1.00E+00 28 TYR QE 43 PRO HD3 5.10 1.00E+00 28 TYR HD1 42 LYS QG 5.80 1.00E+00 28 TYR HD1 42 LYS QE 5.80 1.00E+00 28 TYR HE1 42 LYS QG 5.80 1.00E+00 # SD via Ha 28 TYR HE1 42 LYS QE 5.80 1.00E+00 # CYS 29 29 CYS- HN 30 LYS HN 2.90 1.00E+00 29 CYS- HN 28 TYR HB3 2.70 1.00E+00 29 CYS- HN 29 CYS- HB3 3.30 1.00E+00 29 CYS- HB2 31 GLU- HN 5.00 1.00E+00 29 CYS- HA 29 CYS- HB2 2.70 1.00E+00 29 CYS- HA 29 CYS- HB3 2.70 1.00E+00 29 CYS- HB2 41 LYS QD 4.10 1.00E+00 29 CYS- HB3 41 LYS QD 4.10 1.00E+00 # LYS 30 30 LYS HN 31 GLU- HN 2.90 1.00E+00 # GLU-31 32 LYS HN 31 GLU- HA 2.70 1.00E+00 31 GLU- HN 31 GLU- HB2 2.70 1.00E+00 #31 GLU- HA 31 GLU- HG2 3.30 1.00E+00 #31 GLU- HA 31 GLU- HG3 3.30 1.00e+00 31 GLU- HB2 34 HIS HE1 2.70 1.00E+00 31 GLU- HB3 34 HIS HE1 2.70 1.00E+00 # LYS 32 33 GLY HN 32 LYS HA 2.70 1.00E+00 # GLY 33 33 GLY HN 34 HIS HN 2.90 1.00E+00 # HIS 34 34 HIS HA 35 TRP HN 2.70 1.00E+00 34 HIS HA 34 HIS HB2 2.70 1.00E+00 34 HIS HA 34 HIS HB3 2.70 1.00E+00 34 HIS HD2 34 HIS HB2 3.30 1.00E+00 34 HIS HB2 35 TRP HN 2.70 1.00E+00 34 HIS HD2 36 ALA HA 5.00 1.00e+00 34 HIS HD2 39 CYSZ HA 3.30 1.00E+00 34 HIS HD2 39 CYSZ HB2 3.30 1.00E+00 34 HIS HD2 39 CYSZ HN 5.00 1.00E+00 34 HIS HB2 39 CYSZ HA 5.00 1.00E+00 #34 HIS HD2 38 ASP- HB2 5.00 1.00E+00 #SD via CYS39 HN #34 HIS HD2 38 ASP- HB3 5.00 1.00E+00 #SD via CYS39 HN 34 HIS HB2 38 ASP- HB3 3.30 1.00E+00 34 HIS HE1 40 PRO HD2 3.30 1.00E+00 34 HIS HE1 40 PRO HD3 3.30 1.00E+00 #34 HIS HE1 41 LYS QE 5.50 1.00E+00 # SD via GLU31 # TRP 35 35 TRP HN 35 TRP HD1 3.30 1.00E+00 35 TRP HA 35 TRP HD1 3.30 1.00E+00 35 TRP HB2 35 TRP HD1 3.30 1.00E+00 35 TRP HA 36 ALA HN 2.70 1.00E+00 35 TRP HN 38 ASP- HB2 5.00 1.00E+00 35 TRP HN 38 ASP- HB3 5.00 1.00E+00 35 TRP HE3 37 LYS QE 5.80 1.00E+00 #35 TRP HZ3 37 LYS QE 5.80 1.00E+00 #SD via HE3 #35 TRP HE3 37 LYS QD 5.80 1.00E+00 #SD via QE #35 TRP HZ3 37 LYS QD 5.80 1.00E+00 #SD via QE # ALA 36 36 ALA HN 37 LYS HN 3.30 1.00E+00 36 ALA HA 39 CYSZ HB2 2.70 1.00E+00 36 ALA HA 39 CYSZ HN 3.30 1.00E+00 36 ALA QB 37 LYS HN 3.80 1.00E+00 #36 ALA QB 37 LYS QD 4.00 1.00E+00 #36 ALA QB 37 LYS QE 4.00 1.00E+00 #SD via QG,QD # LYS 37 37 LYS HN 38 ASP- HN 2.90 1.00E+00 #37 LYS HB2 38 ASP- HN 3.30 1.00E+00 37 LYS HB2 37 LYS HN 3.30 1.00E+00 37 LYS HB3 37 LYS HA 2.70 1.00E+00 37 LYS HA 42 LYS QE 5.80 1.00E+00 # ASP-38 38 ASP- HN 39 CYSZ HN 2.90 1.00E+00 38 ASP- HN 38 ASP- HB2 2.70 1.00E+00 # CYSZ 39 40 PRO HD2 39 CYSZ HA 2.70 1.00E+00 40 PRO HD3 39 CYSZ HA 2.70 1.00E+00 39 CYSZ HN 39 CYSZ HB2 2.70 1.00E+00 #39 CYSZ HN 39 CYSZ HB3 2.70 1.00E+00 #SD 39 CYSZ HA 39 CYSZ HB2 2.70 1.00E+00 39 CYSZ HA 40 PRO HD2 2.70 1.00E+00 39 CYSZ HA 40 PRO HD3 2.70 1.00E+00 39 CYSZ QB 42 LYS QG 4.30 1.00E+00 # PRO 40 40 PRO HD2 41 LYS HN 2.70 1.00E+00 # LYS 41 41 LYS HN 42 LYS HN 2.90 1.00E+00 # LYS 42 42 LYS HA 43 PRO HD2 2.70 1.00E+00 42 LYS HA 43 PRO HD3 2.70 1.00E+00 # ARG 44 44 ARG HA 45 GLY HN 2.70 1.00E+00 # GLY 45 45 GLY HA1 46 PRO HA 2.70 1.00E+00 # cis-Pro 45 GLY HA2 46 PRO HA 2.70 1.00E+00 # cis-Pro # ARG 47 47 ARG HA 48 GLY HN 2.70 1.00E+00 #GLY 48 48 GLY QA 49 PRO HD2 3.20 1.00E+00 48 GLY QA 49 PRO HD3 3.20 1.00E+00 # PRO 49 49 PRO HA 50 ARG HN 2.70 1.00E+00 # ARG 50 50 ARG HA 51 PRO HD2 2.70 1.00E+00 50 ARG HA 51 PRO HD3 2.70 1.00E+00 #################################################################### ####### End NC #################################################################### #################################################################### #### Begin RNA Restraints #################################################################### #----------------------Begin C4'-O4' BOND---------------------------- #### C4' to O4' 517 URA C4' 517 URA O4' 1.46 10.00E+00 518 URA C4' 518 URA O4' 1.46 10.00E+00 519 URA C4' 519 URA O4' 1.46 10.00E+00 520 URA C4' 520 URA O4' 1.46 10.00E+00 521 RGUA C4' 521 RGUA O4' 1.46 10.00E+00 522 RCYT C4' 522 RCYT O4' 1.46 10.00E+00 523 URA C4' 523 URA O4' 1.46 10.00E+00 ### C5' to O4' 517 URA C5' 517 URA O4' 2.42 10.00E+00 518 URA C5' 518 URA O4' 2.42 10.00E+00 519 URA C5' 519 URA O4' 2.42 10.00E+00 520 URA C5' 520 URA O4' 2.42 10.00E+00 521 RGUA C5' 521 RGUA O4' 2.42 10.00E+00 522 RCYT C5' 522 RCYT O4' 2.42 10.00E+00 523 URA C5' 523 URA O4' 2.42 10.00E+00 #----------------------END C4'-O4' BOND------------------------------ #--------------------- Begin AACAGU NOEs----------------------------- #---------Intramolecular RNA NOEs-------------- # URA 517 517 URA H6 517 URA H2' 4.00 1.00E+00 517 URA H6 517 URA H3' 3.00 1.00E+00 517 URA H3' 517 URA H5" 3.30 1.00E+00 517 URA H4' 517 URA H5' 2.70 1.00E+00 517 URA H4' 517 URA H5" 2.70 1.00E+00 517 URA H6 518 URA H6 5.0 1.00E+00 517 URA H6 518 URA H5 5.0 1.00E+00 517 URA H2' 518 URA H6 2.7 1.00E+00 517 URA H3' 518 URA H6 3.0 1.00E+00 # URA 518 518 URA H6 518 URA H2' 4.00 1.00E+00 518 URA H6 518 URA H3' 3.00 1.00E+00 518 URA H3' 518 URA H5" 3.30 1.00E+00 518 URA H4' 518 URA H5' 2.70 1.00E+00 518 URA H4' 518 URA H5" 2.70 1.00E+00 # URA 519 519 URA H6 519 URA H2' 4.00 1.00E+00 519 URA H6 519 URA H3' 3.00 1.00E+00 519 URA H3' 519 URA H5" 3.30 1.00E+00 519 URA H4' 519 URA H5' 2.70 1.00E+00 519 URA H4' 519 URA H5" 2.70 1.00E+00 #519 URA H4' 495 URA H5 5.00 1.00E+00 #519 URA Q5' 495 URA H5 5.80 1.00E+00 # URA 520 520 URA H6 520 URA H2' 4.00 1.00E+00 520 URA H6 520 URA H3' 3.00 1.00E+00 520 URA H3' 520 URA H5" 3.30 1.00E+00 520 URA H4' 520 URA H5' 2.70 1.00E+00 520 URA H4' 520 URA H5" 2.70 1.00E+00 # RGUA 521 521 RGUA H8 521 RGUA H2' 4.00 1.00E+00 521 RGUA H8 521 RGUA H3' 3.00 1.00E+00 521 RGUA H3' 521 RGUA H5" 3.30 1.00E+00 521 RGUA H4' 521 RGUA H5' 2.70 1.00E+00 521 RGUA H4' 521 RGUA H5" 2.70 1.00E+00 # RCYT 522 522 RCYT H6 522 RCYT H2' 4.00 1.00E+00 522 RCYT H6 522 RCYT H3' 3.00 1.00E+00 522 RCYT H3' 522 RCYT H5" 3.30 1.00E+00 522 RCYT H4' 522 RCYT H5' 2.70 1.00E+00 522 RCYT H4' 522 RCYT H5" 2.70 1.00E+00 # URA 523 523 URA H6 523 URA H2' 4.00 1.00E+00 523 URA H6 523 URA H3' 3.00 1.00E+00 523 URA H3' 523 URA H5" 3.30 1.00E+00 523 URA H4' 523 URA H5' 2.70 1.00E+00 523 URA H4' 523 URA H5" 2.70 1.00E+00 ##################################################################### ## Begin Intermolecular Interactions ##################################################################### ##------------------------------------------------------- # Intermolecular Hydrogen Bonds (H-bonds) ##------------------------------------------------------- # URA 519 519 URA O2 42 LYS HZ1 2.00 1.00E+00 519 URA O2 42 LYS NZ 3.00 1.00E+00 #519 URA OP2 28 TYR HH 2.00 1.00E+00 #Possible # RGUA 521 521 RGUA O6 27 ALA HN 2.00 1.00E+00 521 RGUA O6 27 ALA N 3.00 1.00E+00 521 RGUA O6 36 ALA HN 2.00 1.00E+00 521 RGUA O6 36 ALA N 3.00 1.00E+00 521 RGUA H1 25 GLN O 2.00 1.00E+00 521 RGUA N1 25 GLN O 3.00 1.00E+00 521 RGUA H21 25 GLN O 2.00 1.00E+00 521 RGUA N2 25 GLN O 3.00 1.00E+00 #521 RGUA H21 22 ASP- O 2.00 1.00E+00 521 RGUA H22 22 ASP- O 2.00 1.00E+00 #521 RGUA N2 22 ASP- O 3.00 1.00E+00 521 RGUA O2' 23 ARG HH21 2.00 1.00E+00 #Likely 521 RGUA O2' 23 ARG NH2 3.00 1.00E+00 #Likely #521 RGUA OP2 37 LYS NZ 3.80 1.00E+00 #Questionable #521 RGUA N7 37 LYS HZ2 2.00 1.00E+00 #Likely #521 RGUA N7 37 LYS NZ 3.00 1.00E+00 #Likely #--------------------------------------------------------- # Intermolecular NOEs #--------------------------------------------------------- # URA 518 518 URA H6 28 TYR QE 5.1 1.00E+00 518 URA H5 28 TYR QE 5.1 1.00E+00 518 URA H1' 30 LYS QE 5.8 1.00E+00 #Check 518 URA H5 29 CYS- HA 5.0 1.00E+00 518 URA H5 41 LYS QE 5.8 1.00E+00 518 URA H2' 28 TYR QD 5.1 1.00E+00 #Check 518 URA H2' 28 TYR QE 6.8 1.00E+00 #Check 518 URA H2' 28 TYR HA 3.3 1.00E+00 #Check #518 URA H1' 28 TYR QD 4.5 1.00E+00 #SD via H2' #518 URA H1' 28 TYR QE 5.8 1.00E+00 #SD via H2' #518 URA H1' 28 TYR HA 5.0 1.00E+00 #SD via H2' # URA 519 519 URA H1' 27 ALA QB 5.50 1.00E+00 519 URA H4' 27 ALA QB 3.80 1.00E+00 519 URA H1' 36 ALA QB 3.80 1.00E+00 519 URA H1' 28 TYR QB 5.50 1.00E+00 519 URA H1' 28 TYR HA 5.00 1.00E+00 519 URA H1' 28 TYR QD 5.10 1.00E+00 519 URA H6 28 TYR HD1 2.70 1.00E+00 519 URA H5 28 TYR HE1 2.70 1.00E+00 519 URA H1' 42 LYS QE 5.80 1.00E+00 # URA 520 520 URA H6 27 ALA QB 5.5 1.00E+00 520 URA H6 21 LEU QD1 5.5 1.00E+00 520 URA H5 27 ALA QB 3.8 1.00E+00 520 URA H5 21 LEU QD1 3.8 1.00E+00 520 URA H5 18 ARG HA 5.0 1.00E+00 520 URA H5 18 ARG QB 5.8 1.00E+00 520 URA H5 18 ARG QD 5.8 1.00E+00 ## RGUA 521 521 RGUA H8 35 TRP HZ3 5.00 1.00E+00 #521 RGUA H8 35 TRP HH2 5.00 1.00E+00 #SD via HZ3 #521 RGUA H8 35 TRP HE3 5.00 1.00E+00 #SD via HZ3 521 RGUA H8 27 ALA QB 6.50 1.00E+00 521 RGUA H8 36 ALA QB 6.50 1.00E+00 521 RGUA H8 21 LEU QD1 6.50 1.00E+00 521 RGUA H1' 21 LEU QD1 4.80 1.00E+00 521 RGUA H8 37 LYS QE 5.80 1.00E+00 #521 RGUA H8 37 LYS QD 5.80 1.00E+00 #SD via QE #521 RGUA H8 35 TRP HZ2 5.00 1.00E+00 #SD via H2 #521 RGUA H1' 35 TRP HZ2 5.00 1.00E+00 #SD via HZ3 521 RGUA H2' 35 TRP HZ3 5.00 1.00E+00 521 RGUA H1' 35 TRP HH2 5.00 1.00E+00 521 RGUA H2' 35 TRP HH2 5.00 1.00E+00 521 RGUA H1' 23 ARG QD 4.10 1.00E+00 #521 RGUA Q2 35 TRP HE1 4.10 1.00E+00 #521 RGUA Q2 21 LEU QD2 3.80 1.00E+00 #521 RGUA Q2 21 LEU QB 6.30 1.00E+00 #521 RGUA Q2 23 ARG HA 5.80 1.00E+00 #521 RGUA Q2 25 GLN HN 4.10 1.00E+00 # RCYT 522 #522 RCYT H5 35 TRP HZ3 5.0 1.00E+00 522 RCYT H5 35 TRP HH2 5.0 1.00E+00 #522 RCYT H5 35 TRP HE3 5.0 1.00E+00 ####################################################################### ######## End NC-AACAGU ####################################################################### ################################################################# ##### Begin NC-AACAGU Restraints ################################################################# #--------------------------------------------------------------- # Begin NC Protein Restraints # ZN Ligands #----------------------------------------------------------------- 39 CYSZ ZN 26 CYS- CB 3.10 10.00E+00 39 CYSZ ZN 29 CYS- CB 3.10 10.00E+00 39 CYSZ ZN 39 CYSZ CB 3.10 10.00E+00 39 CYSZ ZN 26 CYS- SG 2.25 10.00E+00 39 CYSZ ZN 29 CYS- SG 2.25 10.00E+00 39 CYSZ ZN 39 CYSZ SG 2.25 10.00E+00 39 CYSZ ZN 34 HIS NE2 1.90 10.00E+00 39 CYSZ ZN 34 HIS ND1 4.13 5.00E+00 39 CYSZ ZN 34 HIS CG 4.13 5.00E+00 #----------------------------------------------------------------- # ZN Geometry #----------------------------------------------------------------- 39 CYSZ SG 26 CYS- SG 3.70 10.00E+00 39 CYSZ SG 29 CYS- SG 3.70 10.00E+00 26 CYS- SG 29 CYS- SG 3.70 10.00E+00 39 CYSZ SG 34 HIS NE2 3.50 10.00E+00 26 CYS- SG 34 HIS NE2 3.50 10.00E+00 29 CYS- SG 34 HIS NE2 3.50 10.00E+00 #----------------------------------------------------------------- # Hydrogen Bonds #----------------------------------------------------------------- #Tail 21 LEU N 18 ARG O 2.70 1.00E+00 21 LEU HN 18 ARG O 1.80 1.00E+00 25 GLN N 22 ASP- O 2.70 1.00E+00 25 GLN HN 22 ASP- O 1.80 1.00E+00 33 GLY N 24 ASP- O 2.70 1.00E+00 33 GLY HN 24 ASP- O 1.80 1.00E+00 26 CYS- N 31 GLU- O 2.70 1.00E+00 26 CYS- HN 31 GLU- O 1.80 1.00E+00 #30 LYS N 26 CYS- O 2.70 1.00E+00 #30 LYS HN 26 CYS- O 1.80 1.00E+00 28 TYR HN 26 CYS- SG 2.25 1.00E+00 28 TYR N 26 CYS- SG 3.25 1.00E+00 31 GLU- HN 29 CYS- SG 2.25 1.00E+00 31 GLU- N 29 CYS- SG 3.25 1.00E+00 29 CYS- HN 26 CYS- SG 2.25 1.00E+00 29 CYS- N 26 CYS- SG 3.25 1.00E+00 38 ASP- N 35 TRP O 2.70 1.00E+00 38 ASP- HN 35 TRP O 1.80 1.00E+00 39 CYSZ N 36 ALA O 2.70 1.00E+00 39 CYSZ HN 36 ALA O 1.80 1.00E+00 41 LYS HN 39 CYSZ SG 2.25 1.00E+00 41 LYS N 39 CYSZ SG 3.25 1.00E+00 42 LYS HN 39 CYSZ O 1.80 1.00E+00 42 LYS N 39 CYSZ O 2.70 1.00E+00 #-------------------------------------------- # Unusual H-bonds 23 ARG O 35 TRP HE1 1.90 1.00E+00 23 ARG O 35 TRP NE1 2.90 1.00E+00 #----------- End NC Protein HBond Restraints ################# Begin RNA restraints ############## #-----------------Begin C4'-O4' BOND----------------- #### C4' to O4' 517 URA C4' 517 URA O4' 1.44 10.00E+00 518 URA C4' 518 URA O4' 1.44 10.00E+00 519 URA C4' 519 URA O4' 1.44 10.00E+00 520 URA C4' 520 URA O4' 1.44 10.00E+00 521 RGUA C4' 521 RGUA O4' 1.44 10.00E+00 522 RCYT C4' 522 RCYT O4' 1.44 10.00E+00 523 URA C4' 523 URA O4' 1.44 10.00E+00 ### C5' to O4' 517 URA C5' 517 URA O4' 2.32 10.00E+00 518 URA C5' 518 URA O4' 2.32 10.00E+00 519 URA C5' 519 URA O4' 2.32 10.00E+00 520 URA C5' 520 URA O4' 2.32 10.00E+00 521 RGUA C5' 521 RGUA O4' 2.32 10.00E+00 522 RCYT C5' 522 RCYT O4' 2.32 10.00E+00 523 URA C5' 523 URA O4' 2.32 10.00E+00 #-----------------End C4'-O4' BOND-------------------- #------------------------------------------------------- # Begin Intermolecular NC-Linker RNA H-bond Restraints #------------------------------------------------------- # RGUA 497 521 RGUA O6 27 ALA HN 1.80 1.00E+00 521 RGUA O6 27 ALA N 2.70 1.00E+00 521 RGUA O6 36 ALA HN 1.80 1.00E+00 521 RGUA O6 36 ALA N 2.70 1.00E+00 521 RGUA H1 25 GLN O 1.80 1.00E+00 521 RGUA N1 25 GLN O 2.70 1.00E+00 521 RGUA H21 25 GLN O 1.80 1.00E+00 521 RGUA N2 25 GLN O 2.70 1.00E+00 521 RGUA H21 22 ASP- O 1.80 1.00E+00 521 RGUA H22 22 ASP- O 1.80 1.00E+00 521 RGUA N2 22 ASP- O 2.00 1.00E+00 521 RGUA O2' 23 ARG HE 1.80 1.00E+00 521 RGUA O2' 23 ARG NE 2.70 1.00E+00 #521 RGUA OP2 37 LYS HZ2 1.80 1.00E+00 #Questionable #521 RGUA OP2 37 LYS NZ 2.70 1.00E+00 #Questionable 521 RGUA N7 37 LYS HZ2 1.80 1.00E+00 #Questionable 521 RGUA N7 37 LYS NZ 2.70 1.00E+00 #Questionable ### URA 308 ##308 URA O4 30 LYS HZ2 1.80 1.00E+00 #Questionable ##308 URA O4 30 LYS NZ 2.70 1.00E+00 #Questionable # # 308 URA O2' 18 ARG HE 1.80 1.00E+00 # 308 URA O2' 18 ARG NE 2.70 1.00E+00 # URA 519 519 URA O2 42 LYS HZ1 1.80 1.00E+00 519 URA O2 42 LYS NZ 2.70 1.00E+00 ## URA 306 ##306 URA O4 41 LYS HZ1 1.80 1.00E+00 #Questionable ##306 URA O4 41 LYS NZ 2.70 1.00E+00 #Questionable # ##306 URA O2' 30 LYS HZ3 1.80 1.00E+00 #Questionable ##306 URA O2' 30 LYS NZ 2.70 1.00E+00 #Questionable # ################################################################## ####### End NC-AACAGU Restraints ##################################################################
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