NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578266 |
2m9q   |
19306 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2m9q
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 245
_NOE_completeness_stats.Total_atom_count 3649
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1260
_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 11.1
_NOE_completeness_stats.Constraint_unexpanded_count 1357
_NOE_completeness_stats.Constraint_count 1357
_NOE_completeness_stats.Constraint_exp_unfiltered_count 2428
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 268
_NOE_completeness_stats.Constraint_intraresidue_count 37
_NOE_completeness_stats.Constraint_surplus_count 40
_NOE_completeness_stats.Constraint_observed_count 1012
_NOE_completeness_stats.Constraint_expected_count 2408
_NOE_completeness_stats.Constraint_matched_count 268
_NOE_completeness_stats.Constraint_unmatched_count 744
_NOE_completeness_stats.Constraint_exp_nonobs_count 2140
_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 263 802 103 12.8 0.6 .
medium-range 155 207 28 13.5 0.7 .
long-range 594 1371 137 10.0 0.1 .
intermolecular 0 28 0 0.0 -1.3 >sigma
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 10 1 0 0 0 0 0 0 0 0 . 1 10.0 10.0
shell 2.00 2.50 276 29 0 0 0 10 8 0 2 0 . 9 10.5 10.5
shell 2.50 3.00 382 57 0 0 0 6 28 2 3 0 . 18 14.9 13.0
shell 3.00 3.50 631 71 0 0 0 1 17 2 9 3 . 39 11.3 12.2
shell 3.50 4.00 1109 110 0 0 0 0 21 3 17 7 . 62 9.9 11.1
shell 4.00 4.50 1902 208 0 0 0 0 8 12 16 24 . 148 10.9 11.0
shell 4.50 5.00 2762 178 0 0 0 0 2 4 13 3 . 156 6.4 9.2
shell 5.00 5.50 3479 151 0 0 0 0 0 0 1 4 . 146 4.3 7.6
shell 5.50 6.00 4227 130 0 0 0 0 0 0 0 2 . 128 3.1 6.3
shell 6.00 6.50 4690 56 0 0 0 0 0 0 0 0 . 56 1.2 5.1
shell 6.50 7.00 5403 19 0 0 0 0 0 0 0 0 . 19 0.4 4.1
shell 7.00 7.50 5844 1 0 0 0 0 0 0 0 0 . 1 0.0 3.3
shell 7.50 8.00 6398 1 0 0 0 0 0 0 0 0 . 1 0.0 2.7
shell 8.00 8.50 6994 0 0 0 0 0 0 0 0 0 . 0 0.0 2.3
shell 8.50 9.00 7808 0 0 0 0 0 0 0 0 0 . 0 0.0 1.9
sums . . 51915 1012 0 0 0 17 84 23 61 43 . 784 . .
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 0 2 0 0.0 -1.2 >sigma
1 2 SER 4 0 6 0 0.0 -1.2 >sigma
1 3 ALA 3 3 21 2 9.5 -0.2 .
1 4 ALA 3 13 14 5 35.7 2.6 >sigma
1 5 ASP 4 13 17 5 29.4 1.9 >sigma
1 6 LEU 7 29 48 10 20.8 1.0 >sigma
1 7 GLU 5 10 28 2 7.1 -0.4 .
1 8 LEU 7 26 45 5 11.1 0.0 .
1 9 GLU 5 5 36 2 5.6 -0.6 .
1 10 ARG 7 3 24 0 0.0 -1.2 >sigma
1 11 ALA 3 7 27 1 3.7 -0.8 .
1 12 ALA 3 10 19 2 10.5 -0.1 .
1 13 ASP 4 7 11 0 0.0 -1.2 >sigma
1 14 VAL 5 25 46 7 15.2 0.4 .
1 15 LYS 7 8 14 3 21.4 1.1 >sigma
1 16 TRP 10 11 25 1 4.0 -0.7 .
1 17 GLU 5 8 12 1 8.3 -0.3 .
1 18 ASP 4 5 9 1 11.1 0.0 .
1 19 GLN 7 6 11 2 18.2 0.7 .
1 20 ALA 3 6 11 1 9.1 -0.2 .
1 21 GLU 5 10 9 1 11.1 0.0 .
1 22 ILE 6 7 11 0 0.0 -1.2 >sigma
1 23 SER 4 8 9 2 22.2 1.2 >sigma
1 24 GLY 3 6 20 2 10.0 -0.1 .
1 25 SER 4 9 8 2 25.0 1.5 >sigma
1 26 SER 4 4 12 1 8.3 -0.3 .
1 27 PRO 5 0 8 0 0.0 -1.2 >sigma
1 28 ILE 6 9 22 4 18.2 0.7 .
1 29 LEU 7 25 35 6 17.1 0.6 .
1 30 SER 4 6 9 1 11.1 0.0 .
1 31 ILE 6 29 50 5 10.0 -0.1 .
1 32 THR 4 8 18 2 11.1 0.0 .
1 33 ILE 6 17 29 3 10.3 -0.1 .
1 34 SER 4 6 12 2 16.7 0.6 .
1 35 GLU 5 3 6 1 16.7 0.6 .
1 36 ASP 4 4 12 3 25.0 1.5 >sigma
1 37 GLY 3 4 7 2 28.6 1.8 >sigma
1 38 SER 4 5 11 3 27.3 1.7 >sigma
1 39 MET 6 20 40 7 17.5 0.7 .
1 40 SER 4 11 19 2 10.5 -0.1 .
1 41 ILE 6 21 38 6 15.8 0.5 .
1 42 LYS 7 4 14 1 7.1 -0.4 .
1 43 ASN 6 0 9 0 0.0 -1.2 >sigma
1 44 GLU 5 0 7 0 0.0 -1.2 >sigma
1 45 GLU 5 0 7 0 0.0 -1.2 >sigma
1 46 GLU 5 1 8 0 0.0 -1.2 >sigma
1 47 GLU 5 2 9 1 11.1 0.0 .
1 48 GLN 7 2 10 1 10.0 -0.1 .
1 49 THR 4 4 10 1 10.0 -0.1 .
1 50 LEU 7 9 34 5 14.7 0.4 .
1 51 GLY 3 4 16 2 12.5 0.1 .
1 52 GLY 3 0 6 0 0.0 -1.2 >sigma
1 53 GLY 3 0 6 0 0.0 -1.2 >sigma
1 54 GLY 3 0 6 0 0.0 -1.2 >sigma
1 55 SER 4 1 5 1 20.0 0.9 .
1 56 GLY 3 1 5 1 20.0 0.9 .
1 57 GLY 3 0 6 0 0.0 -1.2 >sigma
1 58 GLY 3 0 6 0 0.0 -1.2 >sigma
1 59 GLY 3 0 6 0 0.0 -1.2 >sigma
1 60 GLU 5 1 7 1 14.3 0.3 .
1 61 PHE 7 3 8 2 25.0 1.5 >sigma
1 62 ALA 3 2 7 2 28.6 1.8 >sigma
1 63 GLY 3 4 8 1 12.5 0.1 .
1 64 VAL 5 11 43 3 7.0 -0.4 .
1 65 LEU 7 14 52 5 9.6 -0.2 .
1 66 TRP 10 9 21 1 4.8 -0.7 .
1 67 ASP 4 6 20 3 15.0 0.4 .
1 68 VAL 5 11 28 5 17.9 0.7 .
1 69 PRO 5 0 8 0 0.0 -1.2 >sigma
1 70 SER 4 1 5 0 0.0 -1.2 >sigma
1 71 PRO 5 0 9 0 0.0 -1.2 >sigma
1 72 PRO 5 0 10 0 0.0 -1.2 >sigma
1 73 PRO 5 0 8 0 0.0 -1.2 >sigma
1 74 VAL 5 2 7 2 28.6 1.8 >sigma
1 75 GLY 3 3 7 3 42.9 3.3 >sigma
1 76 LYS 7 2 8 2 25.0 1.5 >sigma
1 77 ALA 3 1 8 1 12.5 0.1 .
1 78 GLU 5 0 8 0 0.0 -1.2 >sigma
1 79 LEU 7 5 10 0 0.0 -1.2 >sigma
1 80 GLU 5 0 10 0 0.0 -1.2 >sigma
1 81 ASP 4 2 14 1 7.1 -0.4 .
1 82 GLY 3 7 16 3 18.8 0.8 .
1 83 ALA 3 11 33 3 9.1 -0.2 .
1 84 TYR 6 11 54 2 3.7 -0.8 .
1 85 ARG 7 9 46 2 4.3 -0.7 .
1 86 ILE 6 18 49 5 10.2 -0.1 .
1 87 LYS 7 11 61 2 3.3 -0.8 .
1 88 GLN 7 16 40 3 7.5 -0.4 .
1 89 LYS 7 7 26 0 0.0 -1.2 >sigma
1 90 GLY 3 8 12 1 8.3 -0.3 .
1 91 ILE 6 11 22 1 4.5 -0.7 .
1 92 LEU 7 6 8 2 25.0 1.5 >sigma
1 93 GLY 3 6 7 2 28.6 1.8 >sigma
1 94 TYR 6 3 24 1 4.2 -0.7 .
1 95 SER 4 8 17 2 11.8 0.1 .
1 96 GLN 7 4 34 0 0.0 -1.2 >sigma
1 97 ILE 6 15 31 3 9.7 -0.1 .
1 98 GLY 3 9 19 4 21.1 1.0 >sigma
1 99 ALA 3 9 27 1 3.7 -0.8 .
1 100 GLY 3 8 26 3 11.5 0.0 .
1 101 VAL 5 18 35 3 8.6 -0.3 .
1 102 TYR 6 9 42 3 7.1 -0.4 .
1 103 LYS 7 9 16 1 6.3 -0.5 .
1 104 GLU 5 6 7 1 14.3 0.3 .
1 105 GLY 3 3 8 2 25.0 1.5 >sigma
1 106 THR 4 6 11 2 18.2 0.7 .
1 107 PHE 7 5 62 1 1.6 -1.0 .
1 108 HIS 6 9 13 1 7.7 -0.4 .
1 109 THR 4 8 30 2 6.7 -0.5 .
1 110 MET 6 27 41 6 14.6 0.4 .
1 111 TRP 10 16 49 6 12.2 0.1 .
1 112 HIS 6 8 19 3 15.8 0.5 .
1 113 VAL 5 21 37 8 21.6 1.1 >sigma
1 114 THR 4 6 25 3 12.0 0.1 .
1 115 ARG 7 6 12 1 8.3 -0.3 .
1 116 GLY 3 7 16 3 18.8 0.8 .
1 117 ALA 3 8 21 3 14.3 0.3 .
1 118 VAL 5 22 33 6 18.2 0.7 .
1 119 LEU 7 31 42 6 14.3 0.3 .
1 120 MET 6 44 47 13 27.7 1.7 >sigma
1 121 HIS 6 10 28 4 14.3 0.3 .
1 122 LYS 7 5 37 2 5.4 -0.6 .
1 123 GLY 3 5 10 5 50.0 4.1 >sigma
1 124 LYS 7 7 14 3 21.4 1.1 >sigma
1 125 ARG 7 6 24 0 0.0 -1.2 >sigma
1 126 ILE 6 23 29 7 24.1 1.4 >sigma
1 127 GLU 5 4 13 0 0.0 -1.2 >sigma
1 128 PRO 5 0 24 0 0.0 -1.2 >sigma
1 129 SER 4 0 16 0 0.0 -1.2 >sigma
1 130 TRP 10 9 21 2 9.5 -0.2 .
1 131 ALA 3 5 21 0 0.0 -1.2 >sigma
1 132 ASP 4 10 20 2 10.0 -0.1 .
1 133 VAL 5 15 15 3 20.0 0.9 .
1 134 LYS 7 5 12 4 33.3 2.3 >sigma
1 135 LYS 7 7 18 2 11.1 0.0 .
1 136 ASP 4 8 12 3 25.0 1.5 >sigma
1 137 LEU 7 23 37 8 21.6 1.1 >sigma
1 138 ILE 6 22 48 6 12.5 0.1 .
1 139 SER 4 6 18 1 5.6 -0.6 .
1 140 TYR 6 5 33 1 3.0 -0.8 .
1 141 GLY 3 4 12 1 8.3 -0.3 .
1 142 GLY 3 4 10 1 10.0 -0.1 .
1 143 GLY 3 2 5 0 0.0 -1.2 >sigma
1 144 TRP 10 12 16 1 6.3 -0.5 .
1 145 LYS 7 4 8 0 0.0 -1.2 >sigma
1 146 LEU 7 23 15 2 13.3 0.2 .
1 147 GLU 5 7 13 3 23.1 1.3 >sigma
1 148 GLY 3 10 8 1 12.5 0.1 .
1 149 GLU 5 7 12 0 0.0 -1.2 >sigma
1 150 TRP 10 16 31 2 6.5 -0.5 .
1 151 LYS 7 4 5 0 0.0 -1.2 >sigma
1 152 GLU 5 5 10 0 0.0 -1.2 >sigma
1 153 GLY 3 2 8 0 0.0 -1.2 >sigma
1 154 GLU 5 4 8 0 0.0 -1.2 >sigma
1 155 GLU 5 0 19 0 0.0 -1.2 >sigma
1 156 VAL 5 23 26 6 23.1 1.3 >sigma
1 157 GLN 7 7 30 2 6.7 -0.5 .
1 158 VAL 5 28 37 6 16.2 0.5 .
1 159 LEU 7 26 44 9 20.5 1.0 .
1 160 ALA 3 9 20 5 25.0 1.5 >sigma
1 161 LEU 7 22 49 5 10.2 -0.1 .
1 162 GLU 5 6 15 2 13.3 0.2 .
1 163 PRO 5 0 11 0 0.0 -1.2 >sigma
1 164 GLY 3 2 6 1 16.7 0.6 .
1 165 LYS 7 3 12 1 8.3 -0.3 .
1 166 ASN 6 2 8 0 0.0 -1.2 >sigma
1 167 PRO 5 0 25 0 0.0 -1.2 >sigma
1 168 ARG 7 6 17 2 11.8 0.1 .
1 169 ALA 3 8 25 1 4.0 -0.7 .
1 170 VAL 5 20 37 8 21.6 1.1 >sigma
1 171 GLN 7 10 23 2 8.7 -0.3 .
1 172 THR 4 9 30 1 3.3 -0.8 .
1 173 LYS 7 8 20 1 5.0 -0.6 .
1 174 PRO 5 0 28 0 0.0 -1.2 >sigma
1 175 GLY 3 7 13 2 15.4 0.4 .
1 176 LEU 7 18 27 3 11.1 0.0 .
1 177 PHE 7 11 43 1 2.3 -0.9 .
1 178 LYS 7 10 15 1 6.7 -0.5 .
1 179 THR 4 8 20 1 5.0 -0.6 .
1 180 ASN 6 0 7 0 0.0 -1.2 >sigma
1 181 ALA 3 5 12 1 8.3 -0.3 .
1 182 GLY 3 5 10 3 30.0 2.0 >sigma
1 183 THR 4 6 14 1 7.1 -0.4 .
1 184 ILE 6 18 24 3 12.5 0.1 .
1 185 GLY 3 3 12 0 0.0 -1.2 >sigma
1 186 ALA 3 10 18 1 5.6 -0.6 .
1 187 VAL 5 31 41 11 26.8 1.6 >sigma
1 188 SER 4 6 19 2 10.5 -0.1 .
1 189 LEU 7 25 44 6 13.6 0.3 .
1 190 ASP 4 6 11 1 9.1 -0.2 .
1 191 PHE 7 5 14 0 0.0 -1.2 >sigma
1 192 SER 4 2 7 0 0.0 -1.2 >sigma
1 193 PRO 5 0 6 0 0.0 -1.2 >sigma
1 194 GLY 3 0 9 0 0.0 -1.2 >sigma
1 195 THR 4 1 18 0 0.0 -1.2 >sigma
1 196 SER 4 2 13 0 0.0 -1.2 >sigma
1 197 GLY 3 8 18 1 5.6 -0.6 .
1 198 SER 4 10 19 1 5.3 -0.6 .
1 199 PRO 5 0 45 0 0.0 -1.2 >sigma
1 200 ILE 6 30 52 10 19.2 0.9 .
1 201 ILE 6 26 49 6 12.2 0.1 .
1 202 ASP 4 10 20 3 15.0 0.4 .
1 203 LYS 7 6 13 1 7.7 -0.4 .
1 204 LYS 7 4 14 3 21.4 1.1 >sigma
1 205 GLY 3 5 16 3 18.8 0.8 .
1 206 LYS 7 7 16 3 18.8 0.8 .
1 207 VAL 5 23 15 3 20.0 0.9 .
1 208 VAL 5 27 14 5 35.7 2.6 >sigma
1 209 GLY 3 15 19 4 21.1 1.0 >sigma
1 210 LEU 7 28 46 9 19.6 0.9 .
1 211 TYR 6 9 35 2 5.7 -0.6 .
1 212 GLY 3 7 18 3 16.7 0.6 .
1 213 ASN 6 3 7 1 14.3 0.3 .
1 214 GLY 3 6 16 1 6.3 -0.5 .
1 215 VAL 5 24 41 9 22.0 1.1 >sigma
1 216 VAL 5 13 24 5 20.8 1.0 >sigma
1 217 THR 4 9 39 5 12.8 0.2 .
1 218 ARG 7 0 9 0 0.0 -1.2 >sigma
1 219 SER 4 4 5 1 20.0 0.9 .
1 220 GLY 3 6 8 3 37.5 2.8 >sigma
1 221 ALA 3 8 21 3 14.3 0.3 .
1 222 TYR 6 7 29 0 0.0 -1.2 >sigma
1 223 VAL 5 30 40 8 20.0 0.9 .
1 224 SER 4 11 21 3 14.3 0.3 .
1 225 ALA 3 10 17 1 5.9 -0.5 .
1 226 ILE 6 19 43 6 14.0 0.3 .
1 227 ALA 3 10 22 2 9.1 -0.2 .
1 228 GLN 7 8 20 1 5.0 -0.6 .
1 229 THR 4 8 26 0 0.0 -1.2 >sigma
1 230 GLU 5 4 8 2 25.0 1.5 >sigma
1 231 LYS 7 6 9 2 22.2 1.2 >sigma
1 232 SER 4 4 6 1 16.7 0.6 .
1 233 ILE 6 3 5 1 20.0 0.9 .
1 234 GLU 5 2 8 1 12.5 0.1 .
1 235 ASP 4 2 7 1 14.3 0.3 .
1 236 ASN 6 1 9 1 11.1 0.0 .
1 237 PRO 5 0 7 0 0.0 -1.2 >sigma
1 238 GLU 5 1 8 1 12.5 0.1 .
1 239 ILE 6 3 10 2 20.0 0.9 .
1 240 GLU 5 2 5 1 20.0 0.9 .
2 3 LYS 7 0 32 0 0.0 -1.2 >sigma
2 4 ARG 7 0 10 0 0.0 -1.2 >sigma
stop_
save_
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