NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
479467 2rqf 11073 cing 4-filtered-FRED Wattos check completeness distance


data_2rqf


save_NOE_Completeness
    _NOE_completeness_stats.Sf_category                      NOE_completeness_statistics
    _NOE_completeness_stats.Model_count                      20
    _NOE_completeness_stats.Residue_count                    228
    _NOE_completeness_stats.Total_atom_count                 3476
    _NOE_completeness_stats.Observable_atom_definition       ob_standard
    _NOE_completeness_stats.Observable_atom_count            1215
    _NOE_completeness_stats.Use_intra_residue_restraints     no
    _NOE_completeness_stats.Redundancy_threshold_pct         5.0
    _NOE_completeness_stats.Distance_averaging_power         1.00
    _NOE_completeness_stats.Completeness_cutoff              4.00
    _NOE_completeness_stats.Completeness_cumulative_pct      30.9
    _NOE_completeness_stats.Constraint_unexpanded_count      3239
    _NOE_completeness_stats.Constraint_count                 3239
    _NOE_completeness_stats.Constraint_exp_unfiltered_count  3865
    _NOE_completeness_stats.Constraint_exceptional_count     0
    _NOE_completeness_stats.Constraint_nonobservable_count   184
    _NOE_completeness_stats.Constraint_intraresidue_count    155
    _NOE_completeness_stats.Constraint_surplus_count         0
    _NOE_completeness_stats.Constraint_observed_count        2900
    _NOE_completeness_stats.Constraint_expected_count        3865
    _NOE_completeness_stats.Constraint_matched_count         1194
    _NOE_completeness_stats.Constraint_unmatched_count       1706
    _NOE_completeness_stats.Constraint_exp_nonobs_count      2671
    _NOE_completeness_stats.Details                          
;
A detailed methodology description is available at:
http://nmr.cmbi.ru.nl/~jd/wattos/doc/Wattos/Soup/Constraint/dc_completeness.html

Please note that the contributions in ambiguous restraints are considered
separate 'restraints' for the sets defined below.
The cut off for all statistics except those in the by-shell table is
given below by the above tag: _NOE_completeness_stats.Completeness_cutoff

Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * Number of models
*  5 * Number of residues
*  6 * Number of atoms
*  7 * Standard set name of observable atom definitions
see: Doreleijers et al., J.Biomol.NMR 14, 123-132 (1999).
*  8 * Observable atom(group)s
*  9 * Include intra residue restraints
*  10 * Surplus threshold for determining redundant restraints
*  11 * Power for averaging the distance over models
*  12 * Up to what distance are NOEs expected
*  13 * Cumulative completeness percentage
*  14 * Number of unexpanded restraints in restraint list.
*  15 * Number of restraints in restraint list.           Set U
*  16 * Expected restraints based on criteria in list.    Set V
Set V differs from set B only if intra residue restraints are analyzed.
*  17 * Exceptional restraints, i.e. with an unknown atom.Set E
*  18 * Not observable NOEs with e.g. hydroxyl Ser HG.    Set O
Even though restraints with these atom types might have been observed they are
excluded from the analysis.
*  19 * Intra-residue restraints if not to be analyzed.   Set I
*  20 * Surplus like double restraints.                   Set S
*  21 * Observed restraints.                              Set A = U - (E u O u I u S)
*  22 * Expected restraints based on criteria as in A.    Set B = V - (I u S)
*  23 * Observed restraints matched to the expected.      Set M = A n B
*  24 * Observed restraints that were not expected.       Set C = A - M
*  25 * Expected restraints that were not observed.       Set D = B - M
*  26 * This tag

Description of the tags in the class table:
*  1 * Class of restraint. Note that 'medium-range' involves (2<=i<=4) contacts.
Possible values are: intraresidue,sequential,medium-range,long-range, and intermolecular.
*  2 * Observed restraints.                              Set A = U - (E u O u I u S)
*  3 * Expected restraints based on criteria as in A.    Set B = V - (I u S)
*  4 * Observed restraints matched to the expected.      Set M = A n B
*  5 * Completeness percentage
*  6 * Standard deviation from the average over the classes.
*  7 * Extra information
*  8 * Administrative tag
*  9 * Administrative tag

Description of the tags in the shell table.
The first row shows the lower limit of the shells requested and
The last row shows the total number of restraints over the shells.
*  1 * Description of the content of the row: edges, shell, or sums.
The value determines the meaning of the values to the nine 'Matched_shell_x' tags among others.
*  2 * Lower limit of shell of expected restraints.
*  3 * Upper limit of shell of expected restraints.
*  4 * Expected restraints based on criteria as in A.    Set B = V - (I u S)
*  5 * Observed restraints matched to the expected.      Set M = A n B
*  6 * Matched restraints with experimental distance in shell 1
*  7 * Matched restraints with experimental distance in shell 2
*  8 * Matched restraints with experimental distance in shell 3
*  9 * Matched restraints with experimental distance in shell 4
*  10 * Matched restraints with experimental distance in shell 5
*  11 * Matched restraints with experimental distance in shell 6
*  12 * Matched restraints with experimental distance in shell 7
*  13 * Matched restraints with experimental distance in shell 8
*  14 * Matched restraints with experimental distance in shell 9
*  15 * Matched restraints overflowing the last shell
*  16 * Completeness percentage for this shell
*  17 * Completeness percentage up to upper limit of this shell
*  18 * Administrative tag
*  19 * Administrative tag

Description of the tags in the residue table:
*  1 * Chain identifier
*  2 * Residue number
*  3 * Residue name
*  4 * Observable atom(group)s for this residue.
*  5 * Observed restraints.                              Set A = U - (E u O u I u S)
*  6 * Expected restraints based on criteria as in A.    Set B = V - (I u S)
*  7 * Observed restraints matched to the expected.      Set M = A n B
*  8 * Completeness percentage
*  9 * Standard deviation from the average over the residues.
*  10 * Extra information
*  11 * Administrative tag
*  12 * Administrative tag
;


    loop_
       _NOE_completeness_class.Type
       _NOE_completeness_class.Constraint_observed_count
       _NOE_completeness_class.Constraint_expected_count
       _NOE_completeness_class.Constraint_matched_count
       _NOE_completeness_class.Completeness_cumulative_pct
       _NOE_completeness_class.Std_dev
       _NOE_completeness_class.Details

       intraresidue      0    0   0    .    . "no intras"   
       sequential      734 1007 365 36.2  1.0  >sigma       
       medium-range    741  858 252 29.4 -0.5  .            
       long-range     1425 2000 577 28.9 -0.6  .            
       intermolecular    0    0   0    .    . "no multimer" 
    stop_

    loop_
       _NOE_completeness_shell.Type
       _NOE_completeness_shell.Shell_start
       _NOE_completeness_shell.Shell_end
       _NOE_completeness_shell.Constraint_expected_count
       _NOE_completeness_shell.Constraint_matched_count
       _NOE_completeness_shell.Matched_shell_1
       _NOE_completeness_shell.Matched_shell_2
       _NOE_completeness_shell.Matched_shell_3
       _NOE_completeness_shell.Matched_shell_4
       _NOE_completeness_shell.Matched_shell_5
       _NOE_completeness_shell.Matched_shell_6
       _NOE_completeness_shell.Matched_shell_7
       _NOE_completeness_shell.Matched_shell_8
       _NOE_completeness_shell.Matched_shell_9
       _NOE_completeness_shell.Matched_shell_overflow
       _NOE_completeness_shell.Completeness_shell_pct
       _NOE_completeness_shell.Completeness_cumulative_pct

       edges    .    .     .    . 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 .   .    .    . 
       shell 0.00 2.00    87   42    0    0    0    6    5    7    8    9 .   7 48.3 48.3 
       shell 2.00 2.50   467  206    0    3   53   30   18   25   26   23 .  28 44.1 44.8 
       shell 2.50 3.00   662  268    0    1    8   32   60   54   38   34 .  41 40.5 42.4 
       shell 3.00 3.50  1041  314    0    0    9   11   56   60   56   50 .  72 30.2 36.8 
       shell 3.50 4.00  1608  364    0    0    2   16   54   66   82   56 .  88 22.6 30.9 
       shell 4.00 4.50  2487  500    0    0    0   11   56  115  127   77 . 114 20.1 26.7 
       shell 4.50 5.00  3265  434    0    0    0    1   21   83  133   89 . 107 13.3 22.1 
       shell 5.00 5.50  3885  332    0    0    0    3    4   23  124   78 . 100  8.5 18.2 
       shell 5.50 6.00  4530  218    0    0    0    0    8   15   35   51 . 109  4.8 14.9 
       shell 6.00 6.50  4874  127    0    0    0    0    1    5   18   32 .  71  2.6 12.2 
       shell 6.50 7.00  5377   64    0    0    0    0    0    5   11   14 .  34  1.2 10.1 
       shell 7.00 7.50  5868   22    0    0    0    0    0    0    4    4 .  14  0.4  8.5 
       shell 7.50 8.00  6595    5    0    0    0    0    0    0    2    3 .   0  0.1  7.1 
       shell 8.00 8.50  7075    2    0    0    0    0    0    0    0    0 .   2  0.0  6.1 
       shell 8.50 9.00  7474    2    0    0    0    0    0    0    0    0 .   2  0.0  5.2 
       sums     .    . 55295 2900    0    4   72  110  283  458  664  520 . 789    .    . 
    stop_

    loop_
       _NOE_completeness_comp.Entity_assembly_ID
       _NOE_completeness_comp.Comp_index_ID
       _NOE_completeness_comp.Comp_ID
       _NOE_completeness_comp.Obs_atom_count
       _NOE_completeness_comp.Constraint_observed_count
       _NOE_completeness_comp.Constraint_expected_count
       _NOE_completeness_comp.Constraint_matched_count
       _NOE_completeness_comp.Completeness_cumulative_pct
       _NOE_completeness_comp.Std_dev
       _NOE_completeness_comp.Details

       1   1 GLY  3  2  9  0  0.0 -2.3 >sigma 
       1   2 SER  4  0  4  0  0.0 -2.3 >sigma 
       1   3 ASP  4  3 20  0  0.0 -2.3 >sigma 
       1   4 GLY  3  7 18  5 27.8 -0.3 .      
       1   5 ASP  4  9 11  6 54.5  1.6 >sigma 
       1   6 ALA  3 22 23 11 47.8  1.1 >sigma 
       1   7 LEU  7 25 51 12 23.5 -0.6 .      
       1   8 LEU  7 21 49 10 20.4 -0.8 .      
       1   9 LYS  7 22 35  8 22.9 -0.7 .      
       1  10 PRO  5 10 15  2 13.3 -1.4 >sigma 
       1  11 CYS  4  9 17  3 17.6 -1.0 >sigma 
       1  12 LYS  7 19 36  7 19.4 -0.9 .      
       1  13 LEU  7 32 40 13 32.5  0.0 .      
       1  14 GLY  3  6 14  4 28.6 -0.3 .      
       1  15 ASP  4 18 31  6 19.4 -0.9 .      
       1  16 MET  6 22 22  9 40.9  0.6 .      
       1  17 GLN  7 17 16  4 25.0 -0.5 .      
       1  18 CYS  4 13 25  4 16.0 -1.2 >sigma 
       1  19 LEU  7 49 49 15 30.6 -0.1 .      
       1  20 SER  4 14 28  9 32.1 -0.0 .      
       1  21 SER  4 31 17  6 35.3  0.2 .      
       1  22 ALA  3 31 27  9 33.3  0.1 .      
       1  23 THR  4 42 37 17 45.9  1.0 .      
       1  24 GLU  5 20 26  8 30.8 -0.1 .      
       1  25 GLN  7 22 49  9 18.4 -1.0 .      
       1  26 PHE  7 20 62 10 16.1 -1.2 >sigma 
       1  27 LEU  7 36 52 16 30.8 -0.1 .      
       1  28 GLU  5 21 39  8 20.5 -0.8 .      
       1  29 LYS  7 29 75 12 16.0 -1.2 >sigma 
       1  30 THR  4 26 37 10 27.0 -0.4 .      
       1  31 SER  4 28 39 17 43.6  0.8 .      
       1  32 LYS  7 17 21  2  9.5 -1.6 >sigma 
       1  33 GLY  3 12 24  2  8.3 -1.7 >sigma 
       1  34 ILE  6 44 43 16 37.2  0.4 .      
       1  35 PRO  5  5 14  4 28.6 -0.3 .      
       1  36 GLN  7 16 25  7 28.0 -0.3 .      
       1  37 TYR  6 41 32 18 56.3  1.7 >sigma 
       1  38 ASP  4 12 10  5 50.0  1.3 >sigma 
       1  39 ILE  6 51 55 22 40.0  0.6 .      
       1  40 TRP 10 26 27 10 37.0  0.3 .      
       1  41 PRO  5  5 25  3 12.0 -1.4 >sigma 
       1  42 ILE  6 57 62 25 40.3  0.6 .      
       1  43 ASP  4 17 36  9 25.0 -0.5 .      
       1  44 PRO  5  5 22  2  9.1 -1.7 >sigma 
       1  45 LEU  7 44 52 18 34.6  0.2 .      
       1  46 VAL  5 19 26  8 30.8 -0.1 .      
       1  47 VAL  5 31 48 14 29.2 -0.2 .      
       1  48 THR  4 18 11  6 54.5  1.6 >sigma 
       1  49 SER  4 20 20  9 45.0  0.9 .      
       1  50 LEU  7 38 64 16 25.0 -0.5 .      
       1  51 ASP  4 14 16  5 31.3 -0.1 .      
       1  52 VAL  5 45 46 19 41.3  0.7 .      
       1  53 ILE  6 23 25 11 44.0  0.8 .      
       1  54 ALA  3 35 31 18 58.1  1.9 >sigma 
       1  55 PRO  5 16 17  8 47.1  1.1 >sigma 
       1  56 SER  4  7 20  4 20.0 -0.9 .      
       1  57 ASP  4 11 25  8 32.0 -0.0 .      
       1  58 ALA  3 16 15  8 53.3  1.5 >sigma 
       1  59 GLY  3  8 24  3 12.5 -1.4 >sigma 
       1  60 ILE  6 43 55 20 36.4  0.3 .      
       1  61 VAL  5 31 42 19 45.2  0.9 .      
       1  62 ILE  6 73 61 30 49.2  1.2 >sigma 
       1  63 ARG  7 31 50 14 28.0 -0.3 .      
       1  64 PHE  7 53 68 22 32.4  0.0 .      
       1  65 LYS  7 37 47 12 25.5 -0.5 .      
       1  66 ASN  6 23 20  9 45.0  0.9 .      
       1  67 LEU  7 40 70 17 24.3 -0.6 .      
       1  68 ASN  6 22 35 10 28.6 -0.3 .      
       1  69 ILE  6 55 68 24 35.3  0.2 .      
       1  70 THR  4 32 26 14 53.8  1.6 >sigma 
       1  71 GLY  3 12 15  4 26.7 -0.4 .      
       1  72 LEU  7 36 56 11 19.6 -0.9 .      
       1  73 LYS  7 30 71 13 18.3 -1.0 .      
       1  74 ASN  6 10 26  3 11.5 -1.5 >sigma 
       1  75 GLN  7 25 44  9 20.5 -0.8 .      
       1  76 GLN  7 26 17  8 47.1  1.1 >sigma 
       1  77 ILE  6 55 52 25 48.1  1.1 >sigma 
       1  78 SER  4 20 30  8 26.7 -0.4 .      
       1  79 ASP  4 23 24  7 29.2 -0.2 .      
       1  80 PHE  7 24 53 12 22.6 -0.7 .      
       1  81 GLN  7 22 29 10 34.5  0.2 .      
       1  82 MET  6 26 35 10 28.6 -0.3 .      
       1  83 ASP  4 20 22  6 27.3 -0.4 .      
       1  84 THR  4 30 21 11 52.4  1.4 >sigma 
       1  85 LYS  7 22 24  9 37.5  0.4 .      
       1  86 ALA  3 22 20  7 35.0  0.2 .      
       1  87 LYS  7 23 37  9 24.3 -0.6 .      
       1  88 THR  4 29 20 10 50.0  1.3 >sigma 
       1  89 VAL  5 30 41 10 24.4 -0.6 .      
       1  90 LEU  7 18 46  5 10.9 -1.5 >sigma 
       1  91 LEU  7 39 49 11 22.4 -0.7 .      
       1  92 LYS  7 27 59 15 25.4 -0.5 .      
       1  93 THR  4 42 27 15 55.6  1.7 >sigma 
       1  94 LYS  7 43 52 19 36.5  0.3 .      
       1  95 ALA  3 37 27 14 51.9  1.4 >sigma 
       1  96 ASP  4 15  8  6 75.0  3.1 >sigma 
       1  97 LEU  7 43 51 15 29.4 -0.2 .      
       1  98 HIS  6 22 18 10 55.6  1.7 >sigma 
       1  99 ILE  6 53 68 27 39.7  0.5 .      
       1 100 VAL  5 38 36 17 47.2  1.1 >sigma 
       1 101 GLY  3 19 21  9 42.9  0.8 .      
       1 102 ASP  4 17 21  5 23.8 -0.6 .      
       1 103 ILE  6 58 73 28 38.4  0.4 .      
       1 104 VAL  5 23 50 13 26.0 -0.4 .      
       1 105 ILE  6 49 62 22 35.5  0.2 .      
       1 106 GLU  5 23 35  9 25.7 -0.5 .      
       1 107 LEU  7 39 62 16 25.8 -0.5 .      
       1 108 THR  4 23 23 11 47.8  1.1 >sigma 
       1 109 GLU  5 12 23  9 39.1  0.5 .      
       1 110 GLN  7 14 42  7 16.7 -1.1 >sigma 
       1 111 SER  4 14 12  7 58.3  1.9 >sigma 
       1 112 LYS  7 27 49 11 22.4 -0.7 .      
       1 113 SER  4 14 18  4 22.2 -0.7 .      
       1 114 PHE  7 39 39 17 43.6  0.8 .      
       1 115 THR  4 23 19 11 57.9  1.8 >sigma 
       1 116 GLY  3 13 21  7 33.3  0.1 .      
       1 117 LEU  7 36 37 13 35.1  0.2 .      
       1 118 TYR  6 45 64 26 40.6  0.6 .      
       1 119 THR  4 27 28 13 46.4  1.0 >sigma 
       1 120 ALA  3 34 29 15 51.7  1.4 >sigma 
       1 121 ASP  4 23 14  7 50.0  1.3 >sigma 
       1 122 THR  4 39 25 13 52.0  1.4 >sigma 
       1 123 ASN  6 24 32 11 34.4  0.2 .      
       1 124 VAL  5 57 48 21 43.8  0.8 .      
       1 125 ILE  6 54 57 24 42.1  0.7 .      
       1 126 GLY  3 14 16  5 31.3 -0.1 .      
       1 127 ALA  3 32 33 10 30.3 -0.1 .      
       1 128 VAL  5 34 44 19 43.2  0.8 .      
       1 129 ARG  7 16 33  5 15.2 -1.2 >sigma 
       1 130 TYR  6 27 45 12 26.7 -0.4 .      
       1 131 GLY  3  7 21  2  9.5 -1.6 >sigma 
       1 132 TYR  6 28 49 12 24.5 -0.6 .      
       1 133 ASN  6 20 44  6 13.6 -1.3 >sigma 
       1 134 LEU  7 32 50 14 28.0 -0.3 .      
       1 135 LYS  7 25 24  9 37.5  0.4 .      
       1 136 ASN  6 15 23  7 30.4 -0.1 .      
       1 137 ASP  4 16 27  6 22.2 -0.7 .      
       1 138 ASP  4  3  7  0  0.0 -2.3 >sigma 
       1 139 ASN  6  9 18  3 16.7 -1.1 >sigma 
       1 140 GLY  3  6 14  3 21.4 -0.8 .      
       1 141 VAL  5 28 29 10 34.5  0.2 .      
       1 142 GLN  7 21 36 10 27.8 -0.3 .      
       1 143 HIS  6 27 27  9 33.3  0.1 .      
       1 144 PHE  7 40 52 14 26.9 -0.4 .      
       1 145 GLU  5 16 30  5 16.7 -1.1 >sigma 
       1 146 VAL  5 29 25 10 40.0  0.6 .      
       1 147 GLN  7 12 41  7 17.1 -1.1 >sigma 
       1 148 PRO  5  2 10  1 10.0 -1.6 >sigma 
       1 149 GLU  5 19 33  8 24.2 -0.6 .      
       1 150 THR  4 13 17  8 47.1  1.1 >sigma 
       1 151 PHE  7 21 25 11 44.0  0.8 .      
       1 152 THR  4 23 15 11 73.3  2.9 >sigma 
       1 153 CYS  4 11 12  5 41.7  0.7 .      
       1 154 GLU  5 16 31  4 12.9 -1.4 >sigma 
       1 155 SER  4 22 25  9 36.0  0.3 .      
       1 156 ILE  6 43 47 19 40.4  0.6 .      
       1 157 GLY  3  6 10  2 20.0 -0.9 .      
       1 158 GLU  5  6  9  1 11.1 -1.5 >sigma 
       1 159 PRO  5 17 34  5 14.7 -1.3 >sigma 
       1 160 LYS  7 26 13  5 38.5  0.4 .      
       1 161 ILE  6 49 50 16 32.0 -0.0 .      
       1 162 THR  4 22 16  8 50.0  1.3 >sigma 
       1 163 LEU  7 36 75 18 24.0 -0.6 .      
       1 164 SER  4 19 30  6 20.0 -0.9 .      
       1 165 SER  4  3  8  0  0.0 -2.3 >sigma 
       1 166 ASP  4  7 12  2 16.7 -1.1 >sigma 
       1 167 LEU  7 27 77  9 11.7 -1.5 >sigma 
       1 168 SER  4 21 34  9 26.5 -0.4 .      
       1 169 SER  4 27 16  9 56.3  1.7 >sigma 
       1 170 ALA  3 33 20 12 60.0  2.0 >sigma 
       1 171 LEU  7 38 68 14 20.6 -0.8 .      
       1 172 GLU  5 35 58 13 22.4 -0.7 .      
       1 173 LYS  7 23 20  9 45.0  0.9 .      
       1 174 ASP  4 13 16  4 25.0 -0.5 .      
       1 175 SER  4 16 20  6 30.0 -0.2 .      
       1 176 GLY  3 12 15  5 33.3  0.1 .      
       1 177 ASN  6 18 45 12 26.7 -0.4 .      
       1 178 ASN  6 10 19  5 26.3 -0.4 .      
       1 179 SER  4 14 17  6 35.3  0.2 .      
       1 180 LEU  7 35 81 18 22.2 -0.7 .      
       1 181 GLU  5 11 29  7 24.1 -0.6 .      
       1 182 PRO  5 11 22  5 22.7 -0.7 .      
       1 183 ASP  4 10 30  9 30.0 -0.2 .      
       1 184 MET  6 23 54 12 22.2 -0.7 .      
       1 185 GLU  5 17 35 10 28.6 -0.3 .      
       1 186 PRO  5 12 45  8 17.8 -1.0 >sigma 
       1 187 LEU  7 29 82 10 12.2 -1.4 >sigma 
       1 188 LYS  7 33 57 15 26.3 -0.4 .      
       1 189 THR  4 38 33 17 51.5  1.4 >sigma 
       1 190 LEU  7 37 70 18 25.7 -0.5 .      
       1 191 ARG  7 28 71 14 19.7 -0.9 .      
       1 192 GLN  7 42 38 13 34.2  0.1 .      
       1 193 ALA  3 27 26 12 46.2  1.0 .      
       1 194 ALA  3 31 39 11 28.2 -0.3 .      
       1 195 ILE  6 64 56 24 42.9  0.8 .      
       1 196 CYS  4 25 16  9 56.3  1.7 >sigma 
       1 197 LYS  7 33 49 11 22.4 -0.7 .      
       1 198 ILE  6 50 65 19 29.2 -0.2 .      
       1 199 ALA  3 26 25 13 52.0  1.4 >sigma 
       1 200 GLU  5 25 29  9 31.0 -0.1 .      
       1 201 ALA  3 28 24 11 45.8  1.0 .      
       1 202 CYS  4 21 23  7 30.4 -0.1 .      
       1 203 TYR  6 24 37  7 18.9 -1.0 .      
       1 204 ILE  6 28 24 13 54.2  1.6 >sigma 
       1 205 SER  4 19 25  7 28.0 -0.3 .      
       1 206 VAL  5 35 45 13 28.9 -0.2 .      
       1 207 VAL  5 33 41 14 34.1  0.1 .      
       1 208 HIS  6 25 27 14 51.9  1.4 >sigma 
       1 209 ASN  6 27 38 11 28.9 -0.2 .      
       1 210 ILE  6 37 38 13 34.2  0.1 .      
       1 211 ARG  7 31 39 14 35.9  0.3 .      
       1 212 ALA  3 32 22  8 36.4  0.3 .      
       1 213 SER  4 21 28 10 35.7  0.3 .      
       1 214 ALA  3 38 34 17 50.0  1.3 >sigma 
       1 215 LYS  7 34 25 14 56.0  1.7 >sigma 
       1 216 ILE  6 40 33 19 57.6  1.8 >sigma 
       1 217 LEU  7 39 42 13 31.0 -0.1 .      
       1 218 PRO  5 18 26  8 30.8 -0.1 .      
       1 219 ALA  3 31 33 17 51.5  1.4 >sigma 
       1 220 SER  4 15 13  8 61.5  2.1 >sigma 
       1 221 SER  4 16 26  6 23.1 -0.7 .      
       1 222 PHE  7 34 53 15 28.3 -0.3 .      
       1 223 PHE  7 35 52 13 25.0 -0.5 .      
       1 224 GLU  5 22 20  8 40.0  0.6 .      
       1 225 ASN  6 33 25 10 40.0  0.6 .      
       1 226 LEU  7 34 53 13 24.5 -0.5 .      
       1 227 ASN  6 11 14  5 35.7  0.3 .      
    stop_

save_



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