NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype
10859 1qjl cing 1-original 2 DYANA/DIANA distance general distance simple


# Upper distance limits (DYANA format)
# ------------------------------------

 37 ILE  
         HN     37 ILE  HB      2.66                
         HN     37 ILE  HG12    3.47                
         HN     37 ILE  HG13    3.47                
         HN     37 ILE  QG1     3.21                
         HN     37 ILE  QD1     6.03                
         HN     38 CYSS HN      5.00                
         HA     37 ILE  HB      2.82                
         HA     37 ILE  QG1     3.99                
         HA     38 CYSS HN      2.58                
         HB     38 CYSS HN      2.87                
         QG2    38 CYSS HN      5.56                
         QD1    38 CYSS HN      6.03                
 38 CYSS 
         HN     38 CYSS HB2     2.63                
         HN     38 CYSS HB3     2.48                
         HN     52 GLY  HA1     5.00                
         HN     52 GLY  HA2     5.00                
         HA     38 CYSS HB2     2.56                
         HA     39 THR  HN      2.40                
         HA     40 ASN  HN      3.70                
         HB2    39 THR  HN      5.00                
         SG     43 CYSS SG      4.45  5.00E+00                 
         SG     51 CYSS SG      4.45  5.00E+00                 
         SG     55 CYSS SG      4.45  5.00E+00                 
         M      43 CYSS CB      3.84  5.00E+00                 
         M      43 CYSS SG      2.60  5.00E+00                 
         M      43 CYSS M       4.45  5.00E+00                 
         M      51 CYSS M       0.10  5.00E+00                 
         M      55 CYSS M       0.10  5.00E+00                 
 39 THR  
         HN     39 THR  HB      3.54                
         HN     40 ASN  HN      2.63                
         HB     40 ASN  HN      3.26                
         QG2    40 ASN  HN      6.03                
 40 ASN  
         HN     40 ASN  HB2     2.79                
         HN     40 ASN  HB3     2.58                
         HN     40 ASN  QD2     5.87                
         HN     41 ALA  HN      5.00                
         HA     41 ALA  HN      2.58                
         HA     41 ALA  QB      6.03                
         HA     42 ALA  HN      5.00                
         HB2    41 ALA  HN      5.00                
         HB3    40 ASN  QD2     3.74                
         HB3    42 ALA  HN      3.99                
         HB3    42 ALA  QB      6.03                
         HB3    43 CYSS HN      3.62                
         HD21   42 ALA  QB      6.03                
         HD21   57 CYSS QB      5.38                
         HD22   42 ALA  QB      6.03                
         HD22   57 CYSS QB      5.38                
         QD2    42 ALA  QB      5.90                
         QD2    57 CYSS HN      5.51                
         QD2    57 CYSS QB      5.12                
         QD2    58 THR  HA      5.87                
         QD2    58 THR  QG2     6.90                
 41 ALA  
         HN     41 ALA  HA      2.82                
         HN     42 ALA  HN      2.89                
         HA     42 ALA  HN      3.39                
         HA     43 CYSS HN      3.65                
         QB     43 CYSS HN      6.03                
 42 ALA  
         HN     42 ALA  HA      2.82                
         HN     43 CYSS HN      2.71                
         HA     43 CYSS HN      3.26                
         HA     59 GLU- QG      5.88                
         HA     60 GLY  HN      5.00                
         QB     43 CYSS HA      6.03                
         QB     57 CYSS QB      6.57                
         QB     58 THR  HN      6.03                
         QB     58 THR  HA      5.27                
         QB     59 GLU- HN      6.03                
         QB     59 GLU- HA      4.21                
         QB     59 GLU- HB3     6.03                
         QB     60 GLY  HN      6.03                
         QB     61 ASN  HN      6.03                
         QB     62 CYSS HA      6.03                
         QB     62 CYSS HB2     6.03                
 43 CYSS 
         HN     43 CYSS HB2     3.54                
         HN     43 CYSS HB3     3.54                
         HN     43 CYSS QB      2.96                
         HA     44 LYS+ HN      2.74                
         HA     62 CYSS HB2     5.00                
         CB     51 CYSS M       3.84  5.00E+00                 
         CB     55 CYSS M       3.84  5.00E+00                 
         QB     45 CYSS HN      4.35                
         SG     51 CYSS SG      4.45  5.00E+00                 
         SG     51 CYSS M       2.60  5.00E+00                 
         SG     55 CYSS SG      4.45  5.00E+00                 
         SG     55 CYSS M       2.60  5.00E+00                 
         SG     57 CYSS SG      4.45  5.00E+00                 
         SG     62 CYSS SG      4.45  5.00E+00                 
         SG     64 CYSS SG      4.45  5.00E+00                 
         M      51 CYSS M       4.45  5.00E+00                 
         M      55 CYSS M       4.45  5.00E+00                 
         M      57 CYSS M       0.10  5.00E+00                 
         M      62 CYSS M       0.10  5.00E+00                 
         M      64 CYSS CB      3.84  5.00E+00                 
         M      64 CYSS SG      2.60  5.00E+00                 
         M      64 CYSS M       4.45  5.00E+00                 
 44 LYS+ 
         HN     44 LYS+ QG      5.88                
         HN     44 LYS+ QD      4.58                
         HN     62 CYSS HB3     4.12                
         HA     44 LYS+ QD      4.47                
         HA     45 CYSS HN      2.50                
         QB     45 CYSS HN      5.88                
         QD     45 CYSS HN      5.88                
 45 CYSS 
         HN     45 CYSS HB2     3.26                
         HN     45 CYSS HB3     3.62                
         HA     45 CYSS HB3     2.58                
         HA     46 ALA  HN      2.53                
         HB2    46 ALA  HN      2.92                
         HB3    46 ALA  HN      3.26                
         SG     49 CYSS SG      4.45  5.00E+00                 
         SG     51 CYSS SG      4.45  5.00E+00                 
         SG     64 CYSS SG      4.45  5.00E+00                 
         M      49 CYSS M       0.10  5.00E+00                 
         M      51 CYSS CB      3.84  5.00E+00                 
         M      51 CYSS SG      2.60  5.00E+00                 
         M      51 CYSS M       4.45  5.00E+00                 
         M      64 CYSS M       0.10  5.00E+00                 
 46 ALA  
         HN     49 CYSS QB      5.88                
         HA     47 ASN  HN      2.76                
         QB     47 ASN  QB      6.90                
         QB     49 CYSS HN      6.03                
 47 ASN  
         HN     47 ASN  QB      3.85                
         HA     48 GLY  HN      2.58                
         HA     49 CYSS HN      3.96                
 48 GLY  
         HN     49 CYSS HN      3.18                
 49 CYSS 
         HN     49 CYSS HB2     2.97                
         HN     49 CYSS HB3     2.97                
         HN     49 CYSS QB      2.69                
         HA     50 LYS+ HN      2.43                
         HA     51 CYSS HN      4.14                
         HB2    50 LYS+ HN      5.00                
         HB3    50 LYS+ HN      5.00                
         SG     51 CYSS SG      4.45  5.00E+00                 
         SG     64 CYSS SG      4.45  5.00E+00                 
         M      51 CYSS CB      3.84  5.00E+00                 
         M      51 CYSS SG      2.60  5.00E+00                 
         M      51 CYSS M       4.45  5.00E+00                 
         M      64 CYSS M       0.10  5.00E+00                 
 50 LYS+ 
         HN     50 LYS+ HA      2.89                
         HN     50 LYS+ HB2     3.18                
         HN     50 LYS+ HB3     2.74                
         HN     50 LYS+ QG      4.50                
         HA     50 LYS+ HB2     2.74                
         HA     50 LYS+ HB3     3.02                
         HA     52 GLY  HN      3.83                
         QE     52 GLY  HN      5.80                
 51 CYSS 
         HN     51 CYSS HB2     2.48                
         HN     51 CYSS HB3     3.39                
         HA     51 CYSS HB2     2.89                
         HA     52 GLY  HN      3.26                
         HA     53 SER  HN      5.00                
         CB     64 CYSS M       3.84  5.00E+00                 
         HB2    52 GLY  HN      5.00                
         HB3    52 GLY  HN      5.00                
         HB3    55 CYSS HA      5.00                
         SG     55 CYSS SG      4.45  5.00E+00                 
         SG     64 CYSS SG      4.45  5.00E+00                 
         SG     64 CYSS M       2.60  5.00E+00                 
         M      55 CYSS M       0.10  5.00E+00                 
         M      64 CYSS M       4.45  5.00E+00                 
 52 GLY  
         QA     53 SER  HN      3.23                
         QA     54 GLY  HN      5.88                
 53 SER  
         HA     54 GLY  HN      2.97                
 55 CYSS 
         HN     55 CYSS HB2     2.79                
         HN     55 CYSS HB3     2.79                
         HA     55 CYSS QB      2.72                
         HA     56 SER  HN      2.50                
         HB2    56 SER  HN      5.00                
         HB3    56 SER  HN      5.00                
 56 SER  
         HN     56 SER  HB2     3.65                
         HN     56 SER  HB3     3.65                
         HN     57 CYSS HN      2.79                
         HA     56 SER  HB2     2.82                
         HA     56 SER  HB3     2.82                
         HB2    57 CYSS HN      5.00                
         HB3    57 CYSS HN      5.00                
 57 CYSS 
         HN     57 CYSS HA      2.84                
         HN     57 CYSS QB      3.80                
         HN     58 THR  HN      5.00                
         HN     58 THR  QG2     6.03                
         HA     58 THR  HN      2.40                
         HA     62 CYSS HA      5.00                
         HA     63 ALA  HN      5.00                
         QB     58 THR  HN      3.80                
         SG     62 CYSS SG      4.45  5.00E+00                 
         SG     64 CYSS SG      4.45  5.00E+00                 
         M      62 CYSS M       0.10  5.00E+00                 
         M      64 CYSS CB      3.84  5.00E+00                 
         M      64 CYSS SG      2.60  5.00E+00                 
         M      64 CYSS M       4.45  5.00E+00                 
 58 THR  
         HN     58 THR  HB      3.91                
         HN     61 ASN  HN      4.25                
         HN     61 ASN  QB      4.18                
         HN     62 CYSS HN      5.00                
         HA     58 THR  HB      2.40                
         HA     59 GLU- HN      2.92                
         HB     59 GLU- HN      2.53                
         HB     61 ASN  QD2     5.87                
         QG2    59 GLU- HN      6.03                
         QG2    61 ASN  QB      7.03                
         QG2    61 ASN  QD2     6.90                
 59 GLU- 
         HN     59 GLU- HB2     2.66                
         HN     59 GLU- HB3     2.56                
         HN     59 GLU- QG      5.88                
         HN     60 GLY  HN      5.00                
         HA     60 GLY  HN      2.58                
         HB2    60 GLY  HN      5.00                
         HB3    60 GLY  HN      5.00                
         QG     60 GLY  HN      5.82                
 60 GLY  
         HN     60 GLY  QA      2.65                
         HN     61 ASN  HN      5.00                
         HA1    61 ASN  HN      3.60                
         HA2    61 ASN  HN      3.60                
 61 ASN  
         HN     61 ASN  QD2     5.87                
         HA     62 CYSS HN      3.36                
         QB     63 ALA  HN      6.00                
 62 CYSS 
         HN     62 CYSS HB2     3.26                
         HN     62 CYSS HB3     2.66                
         HN     63 ALA  HN      5.00                
         HN     63 ALA  HA      5.00                
         HA     62 CYSS HB2     2.71                
         HA     63 ALA  HN      2.40                
         HA     63 ALA  QB      6.03                
         HA     64 CYSS HN      5.00                
         HB2    63 ALA  HN      5.00                
         HB3    63 ALA  HN      5.00                
         HB3    64 CYSS HN      5.00                
         SG     64 CYSS SG      4.45  5.00E+00                 
         M      64 CYSS CB      3.84  5.00E+00                 
         M      64 CYSS SG      2.60  5.00E+00                 
         M      64 CYSS M       4.45  5.00E+00                 
 63 ALA  
         HN     64 CYSS HN      2.97                
         HA     64 CYSS HN      3.15                
         QB     64 CYSS HA      6.03                
         
                        


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