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 |
|
|
598960 |
2myi   |
19558 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2myi
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 259
_NOE_completeness_stats.Total_atom_count 4161
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1475
_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 13.1
_NOE_completeness_stats.Constraint_unexpanded_count 880
_NOE_completeness_stats.Constraint_count 880
_NOE_completeness_stats.Constraint_exp_unfiltered_count 2667
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 288
_NOE_completeness_stats.Constraint_intraresidue_count 37
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 555
_NOE_completeness_stats.Constraint_expected_count 2667
_NOE_completeness_stats.Constraint_matched_count 349
_NOE_completeness_stats.Constraint_unmatched_count 206
_NOE_completeness_stats.Constraint_exp_nonobs_count 2318
_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 213 1041 166 15.9 0.9 .
medium-range 167 600 80 13.3 0.1 .
long-range 175 1026 103 10.0 -0.9 .
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 15 6 0 0 4 2 0 0 0 0 . 0 40.0 40.0
shell 2.00 2.50 214 43 0 0 20 16 0 6 0 1 . 0 20.1 21.4
shell 2.50 3.00 419 101 0 0 42 41 1 11 0 5 . 1 24.1 23.1
shell 3.00 3.50 744 61 0 0 23 21 0 6 0 11 . 0 8.2 15.2
shell 3.50 4.00 1275 138 0 0 0 80 0 27 3 24 . 4 10.8 13.1
shell 4.00 4.50 2076 104 0 0 0 2 0 57 0 43 . 2 5.0 9.6
shell 4.50 5.00 3000 57 0 0 0 0 0 15 2 34 . 6 1.9 6.6
shell 5.00 5.50 4091 29 0 0 0 0 0 0 0 20 . 9 0.7 4.6
shell 5.50 6.00 4940 13 0 0 0 0 0 0 0 5 . 8 0.3 3.3
shell 6.00 6.50 5635 3 0 0 0 0 0 0 0 0 . 3 0.1 2.5
shell 6.50 7.00 6258 0 0 0 0 0 0 0 0 0 . 0 0.0 1.9
shell 7.00 7.50 6948 0 0 0 0 0 0 0 0 0 . 0 0.0 1.6
shell 7.50 8.00 7835 0 0 0 0 0 0 0 0 0 . 0 0.0 1.3
shell 8.00 8.50 8682 0 0 0 0 0 0 0 0 0 . 0 0.0 1.1
shell 8.50 9.00 9480 0 0 0 0 0 0 0 0 0 . 0 0.0 0.9
sums . . 61612 555 0 0 89 162 1 122 5 143 . 33 . .
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 MET 6 0 4 0 0.0 -1.4 >sigma
1 2 ARG 7 2 22 1 4.5 -0.9 .
1 3 ILE 6 5 38 4 10.5 -0.3 .
1 4 ILE 6 2 51 1 2.0 -1.2 >sigma
1 5 SER 4 2 19 1 5.3 -0.8 .
1 6 VAL 5 5 33 2 6.1 -0.8 .
1 7 ASN 6 0 13 0 0.0 -1.4 >sigma
1 8 VAL 5 14 43 9 20.9 0.8 .
1 9 ASN 6 1 10 1 10.0 -0.3 .
1 10 GLY 3 5 21 4 19.0 0.6 .
1 11 ILE 6 14 62 10 16.1 0.3 .
1 12 GLN 7 6 26 6 23.1 1.1 >sigma
1 13 THR 4 8 23 5 21.7 0.9 .
1 14 ALA 3 8 37 6 16.2 0.3 .
1 15 VAL 5 21 45 14 31.1 1.9 >sigma
1 16 GLU 5 6 16 5 31.3 2.0 >sigma
1 17 ARG 7 7 20 4 20.0 0.7 .
1 18 GLY 3 4 13 3 23.1 1.1 >sigma
1 19 LEU 7 10 44 5 11.4 -0.2 .
1 20 LEU 7 17 52 11 21.2 0.9 .
1 21 SER 4 4 13 2 15.4 0.2 .
1 22 TRP 10 5 28 4 14.3 0.1 .
1 23 LEU 7 12 48 10 20.8 0.8 .
1 24 GLN 7 7 37 7 18.9 0.6 .
1 25 ALA 3 5 18 3 16.7 0.4 .
1 26 GLN 7 4 22 3 13.6 0.1 .
1 27 ASN 6 2 7 2 28.6 1.7 >sigma
1 28 ALA 3 3 24 1 4.2 -1.0 .
1 29 ASP 4 2 18 2 11.1 -0.2 .
1 30 VAL 5 0 31 0 0.0 -1.4 >sigma
1 31 ILE 6 5 53 4 7.5 -0.6 .
1 32 CYS 4 0 15 0 0.0 -1.4 >sigma
1 33 LEU 7 0 31 0 0.0 -1.4 >sigma
1 34 GLN 7 0 22 0 0.0 -1.4 >sigma
1 35 ASP 4 0 12 0 0.0 -1.4 >sigma
1 36 THR 4 2 26 1 3.8 -1.0 .
1 37 ARG 7 6 20 2 10.0 -0.3 .
1 38 ALA 3 4 22 2 9.1 -0.4 .
1 39 SER 4 5 16 1 6.3 -0.7 .
1 40 ALA 3 3 12 2 16.7 0.4 .
1 41 PHE 7 4 10 2 20.0 0.7 .
1 42 GLU 5 8 21 5 23.8 1.2 >sigma
1 43 LEU 7 16 48 11 22.9 1.1 >sigma
1 44 ASP 4 7 17 4 23.5 1.1 >sigma
1 45 ASP 4 5 17 2 11.8 -0.1 .
1 46 PRO 5 0 11 0 0.0 -1.4 >sigma
1 47 ALA 3 3 16 2 12.5 -0.1 .
1 48 TYR 6 4 30 2 6.7 -0.7 .
1 49 GLN 7 3 12 2 16.7 0.4 .
1 50 LEU 7 15 50 11 22.0 1.0 .
1 51 ASP 4 5 19 4 21.1 0.9 .
1 52 GLY 3 2 12 2 16.7 0.4 .
1 53 TYR 6 4 22 2 9.1 -0.4 .
1 54 PHE 7 2 18 1 5.6 -0.8 .
1 55 LEU 7 6 37 4 10.8 -0.2 .
1 56 TYR 6 0 32 0 0.0 -1.4 >sigma
1 57 ALA 3 4 25 0 0.0 -1.4 >sigma
1 58 CYS 4 7 24 5 20.8 0.8 .
1 59 GLU 5 4 22 0 0.0 -1.4 >sigma
1 60 ALA 3 6 31 2 6.5 -0.7 .
1 61 GLU 5 7 16 3 18.8 0.6 .
1 62 VAL 5 9 28 2 7.1 -0.6 .
1 63 PRO 5 0 12 0 0.0 -1.4 >sigma
1 64 ALA 3 5 15 2 13.3 0.0 .
1 65 GLN 7 6 8 2 25.0 1.3 >sigma
1 66 GLY 3 5 13 2 15.4 0.2 .
1 67 GLY 3 9 17 2 11.8 -0.1 .
1 68 VAL 5 14 47 10 21.3 0.9 .
1 69 ALA 3 0 24 0 0.0 -1.4 >sigma
1 70 LEU 7 2 35 2 5.7 -0.8 .
1 71 TYR 6 1 32 1 3.1 -1.1 >sigma
1 72 SER 4 2 19 1 5.3 -0.8 .
1 73 ARG 7 1 14 1 7.1 -0.6 .
1 74 LEU 7 8 29 5 17.2 0.4 .
1 75 GLN 7 4 17 3 17.6 0.5 .
1 76 PRO 5 0 30 0 0.0 -1.4 >sigma
1 77 LYS 7 3 22 3 13.6 0.1 .
1 78 ALA 3 5 21 3 14.3 0.1 .
1 79 VAL 5 10 34 6 17.6 0.5 .
1 80 ILE 6 13 30 5 16.7 0.4 .
1 81 THR 4 5 22 3 13.6 0.1 .
1 82 GLY 3 4 17 2 11.8 -0.1 .
1 83 LEU 7 5 11 2 18.2 0.5 .
1 84 GLY 3 3 9 2 22.2 1.0 .
1 85 PHE 7 3 11 1 9.1 -0.4 .
1 86 GLU 5 0 11 0 0.0 -1.4 >sigma
1 87 THR 4 2 17 1 5.9 -0.8 .
1 88 ALA 3 3 22 3 13.6 0.1 .
1 89 ASP 4 6 12 3 25.0 1.3 >sigma
1 90 ARG 7 5 21 4 19.0 0.6 .
1 91 TYR 6 5 24 3 12.5 -0.1 .
1 92 GLY 3 8 17 4 23.5 1.1 >sigma
1 93 ARG 7 4 30 2 6.7 -0.7 .
1 94 TYR 6 7 28 4 14.3 0.1 .
1 95 LEU 7 18 60 12 20.0 0.7 .
1 96 GLN 7 3 27 1 3.7 -1.0 >sigma
1 97 ALA 3 2 27 1 3.7 -1.0 >sigma
1 98 ASP 4 4 15 2 13.3 0.0 .
1 99 PHE 7 0 20 0 0.0 -1.4 >sigma
1 100 ASP 4 0 10 0 0.0 -1.4 >sigma
1 101 LYS 7 0 11 0 0.0 -1.4 >sigma
1 102 VAL 5 7 23 3 13.0 -0.0 .
1 103 SER 4 1 10 0 0.0 -1.4 >sigma
1 104 ILE 6 5 38 3 7.9 -0.6 .
1 105 ALA 3 3 25 2 8.0 -0.6 .
1 106 THR 4 5 23 2 8.7 -0.5 .
1 107 LEU 7 7 29 2 6.9 -0.7 .
1 108 LEU 7 6 27 3 11.1 -0.2 .
1 109 LEU 7 0 28 0 0.0 -1.4 >sigma
1 110 PRO 5 0 12 0 0.0 -1.4 >sigma
1 111 SER 4 3 17 2 11.8 -0.1 .
1 112 GLY 3 2 10 2 20.0 0.7 .
1 113 GLN 7 3 12 2 16.7 0.4 .
1 114 ASN 6 4 19 3 15.8 0.3 .
1 115 GLY 3 3 11 1 9.1 -0.4 .
1 116 ASP 4 3 12 1 8.3 -0.5 .
1 117 GLU 5 2 12 2 16.7 0.4 .
1 118 ASP 4 4 27 2 7.4 -0.6 .
1 119 LEU 7 9 22 5 22.7 1.0 >sigma
1 120 ASN 6 6 14 3 21.4 0.9 .
1 121 GLN 7 4 16 3 18.8 0.6 .
1 122 LYS 7 5 36 3 8.3 -0.5 .
1 123 PHE 7 5 21 3 14.3 0.1 .
1 124 LYS 7 5 18 3 16.7 0.4 .
1 125 LEU 7 8 18 3 16.7 0.4 .
1 126 MET 6 6 31 3 9.7 -0.4 .
1 127 ASP 4 5 15 2 13.3 0.0 .
1 128 ASP 4 4 16 2 12.5 -0.1 .
1 129 PHE 7 5 30 3 10.0 -0.3 .
1 130 ALA 3 4 23 3 13.0 -0.0 .
1 131 ARG 7 5 19 3 15.8 0.3 .
1 132 TYR 6 6 25 5 20.0 0.7 .
1 133 LEU 7 9 31 5 16.1 0.3 .
1 134 ASP 4 8 20 5 25.0 1.3 >sigma
1 135 LYS 7 5 18 5 27.8 1.6 >sigma
1 136 GLN 7 5 20 4 20.0 0.7 .
1 137 ARG 7 5 16 3 18.8 0.6 .
1 138 ARG 7 3 13 3 23.1 1.1 >sigma
1 139 LYS 7 2 11 1 9.1 -0.4 .
1 140 ARG 7 1 9 1 11.1 -0.2 .
1 141 ARG 7 2 9 1 11.1 -0.2 .
1 142 GLU 5 3 23 1 4.3 -0.9 .
1 143 TYR 6 1 20 1 5.0 -0.9 .
1 144 ILE 6 9 49 6 12.2 -0.1 .
1 145 TYR 6 1 29 1 3.4 -1.0 >sigma
1 146 CYS 4 2 12 2 16.7 0.4 .
1 147 GLY 3 2 10 1 10.0 -0.3 .
1 148 SER 4 3 13 1 7.7 -0.6 .
1 149 LEU 7 9 29 5 17.2 0.4 .
1 150 TYR 6 2 8 1 12.5 -0.1 .
1 151 VAL 5 8 30 7 23.3 1.1 >sigma
1 152 ALA 3 2 12 2 16.7 0.4 .
1 153 GLN 7 3 14 2 14.3 0.1 .
1 154 GLN 7 4 21 4 19.0 0.6 .
1 155 LYS 7 3 13 3 23.1 1.1 >sigma
1 156 LEU 7 6 30 6 20.0 0.7 .
1 157 ASP 4 6 10 4 40.0 2.9 >sigma
1 158 ILE 6 3 11 2 18.2 0.5 .
1 159 LYS 7 3 17 1 5.9 -0.8 .
1 160 ASN 6 4 14 3 21.4 0.9 .
1 161 TRP 10 4 10 2 20.0 0.7 .
1 162 ARG 7 5 11 3 27.3 1.5 >sigma
1 163 ASP 4 4 9 2 22.2 1.0 .
1 164 SER 4 3 9 3 33.3 2.2 >sigma
1 165 GLN 7 5 18 3 16.7 0.4 .
1 166 GLN 7 3 15 3 20.0 0.7 .
1 167 SER 4 4 10 3 30.0 1.8 >sigma
1 168 PRO 5 0 7 0 0.0 -1.4 >sigma
1 169 GLY 3 0 7 0 0.0 -1.4 >sigma
1 170 PHE 7 0 10 0 0.0 -1.4 >sigma
1 171 LEU 7 8 41 6 14.6 0.2 .
1 172 ALA 3 2 13 2 15.4 0.2 .
1 173 PRO 5 0 19 0 0.0 -1.4 >sigma
1 174 GLU 5 5 27 2 7.4 -0.6 .
1 175 ARG 7 3 14 2 14.3 0.1 .
1 176 ALA 3 4 16 2 12.5 -0.1 .
1 177 TRP 10 5 19 3 15.8 0.3 .
1 178 MET 6 6 29 3 10.3 -0.3 .
1 179 ASP 4 4 22 4 18.2 0.5 .
1 180 GLU 5 3 13 2 15.4 0.2 .
1 181 ILE 6 10 26 7 26.9 1.5 >sigma
1 182 VAL 5 10 34 6 17.6 0.5 .
1 183 GLY 3 7 14 6 42.9 3.2 >sigma
1 184 ASN 6 5 13 4 30.8 1.9 >sigma
1 185 MET 6 5 11 4 36.4 2.5 >sigma
1 186 GLY 3 3 10 3 30.0 1.8 >sigma
1 187 TYR 6 3 30 2 6.7 -0.7 .
1 188 VAL 5 10 33 6 18.2 0.5 .
1 189 ASP 4 6 16 3 18.8 0.6 .
1 190 ALA 3 7 30 4 13.3 0.0 .
1 191 LEU 7 7 18 6 33.3 2.2 >sigma
1 192 ARG 7 6 24 4 16.7 0.4 .
1 193 GLU 5 5 21 4 19.0 0.6 .
1 194 VAL 5 10 32 8 25.0 1.3 >sigma
1 195 SER 4 4 22 4 18.2 0.5 .
1 196 ARG 7 1 9 0 0.0 -1.4 >sigma
1 197 GLU 5 1 6 0 0.0 -1.4 >sigma
1 198 GLY 3 2 13 2 15.4 0.2 .
1 199 ASP 4 1 7 1 14.3 0.1 .
1 200 GLN 7 1 8 1 12.5 -0.1 .
1 201 TYR 6 0 8 0 0.0 -1.4 >sigma
1 202 SER 4 1 6 1 16.7 0.4 .
1 203 TRP 10 3 5 1 20.0 0.7 .
1 204 TRP 10 1 8 0 0.0 -1.4 >sigma
1 205 PRO 5 0 8 0 0.0 -1.4 >sigma
1 206 ASP 4 2 7 1 14.3 0.1 .
1 207 ASN 6 1 14 1 7.1 -0.6 .
1 208 GLU 5 1 14 1 7.1 -0.6 .
1 209 GLN 7 4 17 2 11.8 -0.1 .
1 210 ALA 3 2 21 1 4.8 -0.9 .
1 211 GLU 5 3 20 2 10.0 -0.3 .
1 212 MET 6 4 13 2 15.4 0.2 .
1 213 LEU 7 5 17 4 23.5 1.1 >sigma
1 214 ASN 6 2 7 1 14.3 0.1 .
1 215 LEU 7 5 22 2 9.1 -0.4 .
1 216 GLY 3 0 16 0 0.0 -1.4 >sigma
1 217 TRP 10 0 10 0 0.0 -1.4 >sigma
1 218 ARG 7 0 8 0 0.0 -1.4 >sigma
1 219 PHE 7 1 11 1 9.1 -0.4 .
1 220 ASP 4 1 8 1 12.5 -0.1 .
1 221 TYR 6 3 23 2 8.7 -0.5 .
1 222 GLN 7 1 25 0 0.0 -1.4 >sigma
1 223 LEU 7 11 42 7 16.7 0.4 .
1 224 LEU 7 16 57 9 15.8 0.3 .
1 225 THR 4 7 27 5 18.5 0.6 .
1 226 PRO 5 0 12 0 0.0 -1.4 >sigma
1 227 GLY 3 5 15 4 26.7 1.5 >sigma
1 228 LEU 7 12 51 8 15.7 0.3 .
1 229 ARG 7 4 27 3 11.1 -0.2 .
1 230 ARG 7 4 11 2 18.2 0.5 .
1 231 PHE 7 5 19 3 15.8 0.3 .
1 232 VAL 5 11 34 9 26.5 1.4 >sigma
1 233 ARG 7 5 18 2 11.1 -0.2 .
1 234 SER 4 4 23 4 17.4 0.5 .
1 235 ALA 3 3 27 3 11.1 -0.2 .
1 236 ARG 7 7 24 4 16.7 0.4 .
1 237 LEU 7 3 23 1 4.3 -0.9 .
1 238 PRO 5 0 17 0 0.0 -1.4 >sigma
1 239 ARG 7 1 8 1 12.5 -0.1 .
1 240 GLN 7 1 11 1 9.1 -0.4 .
1 241 PRO 5 0 9 0 0.0 -1.4 >sigma
1 242 ARG 7 2 9 1 11.1 -0.2 .
1 243 PHE 7 4 8 4 50.0 4.0 >sigma
1 244 SER 4 4 8 3 37.5 2.6 >sigma
1 245 GLN 7 3 9 3 33.3 2.2 >sigma
1 246 HIS 6 3 12 3 25.0 1.3 >sigma
1 247 ALA 3 0 15 0 0.0 -1.4 >sigma
1 248 PRO 5 0 35 0 0.0 -1.4 >sigma
1 249 LEU 7 4 22 2 9.1 -0.4 .
1 250 ILE 6 3 37 2 5.4 -0.8 .
1 251 VAL 5 5 40 4 10.0 -0.3 .
1 252 ASP 4 3 19 1 5.3 -0.8 .
1 253 TYR 6 0 24 0 0.0 -1.4 >sigma
1 254 ASP 4 2 8 0 0.0 -1.4 >sigma
1 255 TRP 10 1 5 0 0.0 -1.4 >sigma
1 256 THR 4 0 11 0 0.0 -1.4 >sigma
1 257 LEU 7 5 13 3 23.1 1.1 >sigma
1 258 THR 4 4 13 2 15.4 0.2 .
1 259 ILE 6 5 30 4 13.3 0.0 .
stop_
save_
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