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 |
|
|
438566 |
2k4t   |
16381 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2k4t
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 291
_NOE_completeness_stats.Total_atom_count 4347
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1526
_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 9.9
_NOE_completeness_stats.Constraint_unexpanded_count 879
_NOE_completeness_stats.Constraint_count 879
_NOE_completeness_stats.Constraint_exp_unfiltered_count 2198
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 278
_NOE_completeness_stats.Constraint_intraresidue_count 64
_NOE_completeness_stats.Constraint_surplus_count 37
_NOE_completeness_stats.Constraint_observed_count 500
_NOE_completeness_stats.Constraint_expected_count 2166
_NOE_completeness_stats.Constraint_matched_count 214
_NOE_completeness_stats.Constraint_unmatched_count 286
_NOE_completeness_stats.Constraint_exp_nonobs_count 1952
_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 184 1030 66 6.4 -0.8 .
medium-range 65 146 30 20.5 0.9 .
long-range 251 990 118 11.9 -0.1 .
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 2 1 0 0 0 1 0 0 0 0 . 0 50.0 50.0
shell 2.00 2.50 254 16 3 1 4 6 2 0 0 0 . 0 6.3 6.6
shell 2.50 3.00 272 42 0 3 20 11 7 0 1 0 . 0 15.4 11.2
shell 3.00 3.50 571 70 0 1 14 36 15 2 2 0 . 0 12.3 11.7
shell 3.50 4.00 1067 85 0 0 4 21 48 8 4 0 . 0 8.0 9.9
shell 4.00 4.50 1790 160 0 0 0 7 59 80 14 0 . 0 8.9 9.5
shell 4.50 5.00 2955 98 0 0 0 0 8 27 58 5 . 0 3.3 6.8
shell 5.00 5.50 3430 25 0 0 0 0 1 7 13 4 . 0 0.7 4.8
shell 5.50 6.00 4055 3 0 0 0 0 0 2 1 0 . 0 0.1 3.5
shell 6.00 6.50 4883 0 0 0 0 0 0 0 0 0 . 0 0.0 2.6
shell 6.50 7.00 5360 0 0 0 0 0 0 0 0 0 . 0 0.0 2.0
shell 7.00 7.50 5870 0 0 0 0 0 0 0 0 0 . 0 0.0 1.6
shell 7.50 8.00 6172 0 0 0 0 0 0 0 0 0 . 0 0.0 1.4
shell 8.00 8.50 6365 0 0 0 0 0 0 0 0 0 . 0 0.0 1.2
shell 8.50 9.00 6779 0 0 0 0 0 0 0 0 0 . 0 0.0 1.0
sums . . 49825 500 3 5 42 82 140 126 93 9 . 0 . .
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 -0.9 .
1 2 ALA 3 0 8 0 0.0 -0.9 .
1 3 VAL 5 0 8 0 0.0 -0.9 .
1 4 PRO 5 0 11 0 0.0 -0.9 .
1 5 PRO 5 0 8 0 0.0 -0.9 .
1 6 THR 4 1 11 1 9.1 0.1 .
1 7 TYR 6 6 22 3 13.6 0.6 .
1 8 ALA 3 5 15 3 20.0 1.3 >sigma
1 9 ASP 4 5 13 3 23.1 1.6 >sigma
1 10 LEU 7 12 37 4 10.8 0.3 .
1 11 GLY 3 0 9 0 0.0 -0.9 .
1 12 LYS 7 0 8 0 0.0 -0.9 .
1 13 SER 4 0 8 0 0.0 -0.9 .
1 14 ALA 3 0 6 0 0.0 -0.9 .
1 15 ARG 7 0 8 0 0.0 -0.9 .
1 16 ASP 4 0 9 0 0.0 -0.9 .
1 17 VAL 5 0 9 0 0.0 -0.9 .
1 18 PHE 7 0 9 0 0.0 -0.9 .
1 19 THR 4 0 8 0 0.0 -0.9 .
1 20 LYS 7 0 9 0 0.0 -0.9 .
1 21 GLY 3 0 8 0 0.0 -0.9 .
1 22 TYR 6 0 8 0 0.0 -0.9 .
1 23 GLY 3 0 7 0 0.0 -0.9 .
1 24 PHE 7 0 8 0 0.0 -0.9 .
1 25 GLY 3 2 13 2 15.4 0.8 .
1 26 LEU 7 6 20 4 20.0 1.3 >sigma
1 27 ILE 6 5 30 3 10.0 0.2 .
1 28 LYS 7 3 17 1 5.9 -0.3 .
1 29 LEU 7 2 13 1 7.7 -0.1 .
1 30 ASP 4 3 11 1 9.1 0.1 .
1 31 LEU 7 3 10 1 10.0 0.2 .
1 32 LYS 7 3 14 1 7.1 -0.1 .
1 33 THR 4 3 14 1 7.1 -0.1 .
1 34 LYS 7 2 9 0 0.0 -0.9 .
1 35 SER 4 5 18 4 22.2 1.5 >sigma
1 36 GLU 5 0 7 0 0.0 -0.9 .
1 37 ASN 6 0 9 0 0.0 -0.9 .
1 38 GLY 3 3 8 2 25.0 1.8 >sigma
1 39 LEU 7 8 26 5 19.2 1.2 >sigma
1 40 GLU 5 4 19 2 10.5 0.2 .
1 41 PHE 7 1 23 1 4.3 -0.4 .
1 42 THR 4 4 19 2 10.5 0.2 .
1 43 SER 4 4 16 1 6.3 -0.2 .
1 44 SER 4 4 9 2 22.2 1.5 >sigma
1 45 GLY 3 1 11 1 9.1 0.1 .
1 46 SER 4 3 14 2 14.3 0.6 .
1 47 ALA 3 3 18 1 5.6 -0.3 .
1 48 ASN 6 3 9 1 11.1 0.3 .
1 49 THR 4 0 8 0 0.0 -0.9 .
1 50 GLU 5 0 10 0 0.0 -0.9 .
1 51 THR 4 0 9 0 0.0 -0.9 .
1 52 THR 4 0 8 0 0.0 -0.9 .
1 53 LYS 7 3 9 2 22.2 1.5 >sigma
1 54 VAL 5 6 18 6 33.3 2.7 >sigma
1 55 THR 4 4 10 3 30.0 2.3 >sigma
1 56 GLY 3 3 9 0 0.0 -0.9 .
1 57 SER 4 2 10 1 10.0 0.2 .
1 58 LEU 7 8 30 5 16.7 0.9 .
1 59 GLU 5 3 21 3 14.3 0.6 .
1 60 THR 4 3 23 2 8.7 0.0 .
1 61 LYS 7 4 23 1 4.3 -0.4 .
1 62 TYR 6 2 21 0 0.0 -0.9 .
1 63 ARG 7 0 18 0 0.0 -0.9 .
1 64 TRP 10 0 9 0 0.0 -0.9 .
1 65 THR 4 0 7 0 0.0 -0.9 .
1 66 GLU 5 0 9 0 0.0 -0.9 .
1 67 TYR 6 0 10 0 0.0 -0.9 .
1 68 GLY 3 4 9 1 11.1 0.3 .
1 69 LEU 7 8 18 5 27.8 2.1 >sigma
1 70 THR 4 2 19 0 0.0 -0.9 .
1 71 PHE 7 1 22 0 0.0 -0.9 .
1 72 THR 4 0 19 0 0.0 -0.9 .
1 73 GLU 5 1 16 1 6.3 -0.2 .
1 74 LYS 7 0 18 0 0.0 -0.9 .
1 75 TRP 10 4 28 2 7.1 -0.1 .
1 76 ASN 6 2 16 0 0.0 -0.9 .
1 77 THR 4 0 7 0 0.0 -0.9 .
1 78 ASP 4 0 6 0 0.0 -0.9 .
1 79 ASN 6 0 10 0 0.0 -0.9 .
1 80 THR 4 0 19 0 0.0 -0.9 .
1 81 LEU 7 6 25 3 12.0 0.4 .
1 82 GLY 3 0 11 0 0.0 -0.9 .
1 83 THR 4 0 11 0 0.0 -0.9 .
1 84 GLU 5 0 17 0 0.0 -0.9 .
1 85 ILE 6 7 32 4 12.5 0.5 .
1 86 THR 4 1 20 1 5.0 -0.3 .
1 87 VAL 5 11 30 8 26.7 2.0 >sigma
1 88 GLU 5 0 16 0 0.0 -0.9 .
1 89 ASP 4 0 9 0 0.0 -0.9 .
1 90 GLN 7 0 9 0 0.0 -0.9 .
1 91 LEU 7 0 9 0 0.0 -0.9 .
1 92 ALA 3 0 7 0 0.0 -0.9 .
1 93 ARG 7 0 8 0 0.0 -0.9 .
1 94 GLY 3 1 9 1 11.1 0.3 .
1 95 LEU 7 1 14 1 7.1 -0.1 .
1 96 LYS 7 3 14 1 7.1 -0.1 .
1 97 LEU 7 10 36 5 13.9 0.6 .
1 98 THR 4 6 24 3 12.5 0.5 .
1 99 PHE 7 5 27 2 7.4 -0.1 .
1 100 ASP 4 3 12 0 0.0 -0.9 .
1 101 SER 4 0 12 0 0.0 -0.9 .
1 102 SER 4 1 10 1 10.0 0.2 .
1 103 PHE 7 2 18 1 5.6 -0.3 .
1 104 SER 4 5 14 1 7.1 -0.1 .
1 105 PRO 5 0 15 0 0.0 -0.9 .
1 106 ASN 6 0 7 0 0.0 -0.9 .
1 107 THR 4 0 6 0 0.0 -0.9 .
1 108 GLY 3 0 6 0 0.0 -0.9 .
1 109 LYS 7 2 11 1 9.1 0.1 .
1 110 LYS 7 3 16 0 0.0 -0.9 .
1 111 ASN 6 3 9 1 11.1 0.3 .
1 112 ALA 3 0 17 0 0.0 -0.9 .
1 113 LYS 7 1 15 0 0.0 -0.9 .
1 114 ILE 6 8 39 4 10.3 0.2 .
1 115 LYS 7 7 23 2 8.7 0.0 .
1 116 THR 4 5 18 1 5.6 -0.3 .
1 117 GLY 3 3 12 1 8.3 0.0 .
1 118 TYR 6 5 18 1 5.6 -0.3 .
1 119 LYS 7 3 11 0 0.0 -0.9 .
1 120 ARG 7 3 18 1 5.6 -0.3 .
1 121 GLU 5 0 10 0 0.0 -0.9 .
1 122 HIS 6 0 13 0 0.0 -0.9 .
1 123 ILE 6 10 37 7 18.9 1.1 >sigma
1 124 ASN 6 3 17 1 5.9 -0.3 .
1 125 LEU 7 12 20 4 20.0 1.3 >sigma
1 126 GLY 3 6 15 2 13.3 0.5 .
1 127 CYS 4 6 10 1 10.0 0.2 .
1 128 ASP 4 5 15 1 6.7 -0.2 .
1 129 MET 6 4 23 1 4.3 -0.4 .
1 130 ASP 4 5 15 1 6.7 -0.2 .
1 131 PHE 7 1 15 0 0.0 -0.9 .
1 132 ASP 4 0 10 0 0.0 -0.9 .
1 133 ILE 6 1 12 1 8.3 0.0 .
1 134 ALA 3 2 13 2 15.4 0.8 .
1 135 GLY 3 1 10 1 10.0 0.2 .
1 136 PRO 5 0 15 0 0.0 -0.9 .
1 137 SER 4 4 15 2 13.3 0.5 .
1 138 ILE 6 5 26 2 7.7 -0.1 .
1 139 ARG 7 4 12 1 8.3 0.0 .
1 140 GLY 3 5 10 0 0.0 -0.9 .
1 141 ALA 3 4 18 1 5.6 -0.3 .
1 142 LEU 7 13 29 9 31.0 2.4 >sigma
1 143 VAL 5 4 26 2 7.7 -0.1 .
1 144 LEU 7 16 37 7 18.9 1.1 >sigma
1 145 GLY 3 4 10 0 0.0 -0.9 .
1 146 TYR 6 7 15 2 13.3 0.5 .
1 147 GLU 5 3 5 0 0.0 -0.9 .
1 148 GLY 3 1 5 0 0.0 -0.9 .
1 149 TRP 10 5 18 1 5.6 -0.3 .
1 150 LEU 7 15 28 3 10.7 0.3 .
1 151 ALA 3 6 24 2 8.3 0.0 .
1 152 GLY 3 8 15 1 6.7 -0.2 .
1 153 TYR 6 2 17 0 0.0 -0.9 .
1 154 GLN 7 4 17 1 5.9 -0.3 .
1 155 MET 6 3 14 0 0.0 -0.9 .
1 156 ASN 6 7 15 3 20.0 1.3 >sigma
1 157 PHE 7 7 16 1 6.3 -0.2 .
1 158 GLU 5 8 20 1 5.0 -0.3 .
1 159 THR 4 1 12 0 0.0 -0.9 .
1 160 ALA 3 0 13 0 0.0 -0.9 .
1 161 LYS 7 0 9 0 0.0 -0.9 .
1 162 SER 4 2 7 1 14.3 0.6 .
1 163 ARG 7 3 9 3 33.3 2.7 >sigma
1 164 VAL 5 11 19 6 31.6 2.5 >sigma
1 165 THR 4 6 11 3 27.3 2.0 >sigma
1 166 GLN 7 4 12 3 25.0 1.8 >sigma
1 167 SER 4 3 9 0 0.0 -0.9 .
1 168 ASN 6 4 11 1 9.1 0.1 .
1 169 PHE 7 7 20 2 10.0 0.2 .
1 170 ALA 3 3 23 1 4.3 -0.4 .
1 171 VAL 5 11 20 2 10.0 0.2 .
1 172 GLY 3 6 18 3 16.7 0.9 .
1 173 TYR 6 7 17 2 11.8 0.4 .
1 174 LYS 7 2 12 0 0.0 -0.9 .
1 175 THR 4 0 9 0 0.0 -0.9 .
1 176 ASP 4 0 7 0 0.0 -0.9 .
1 177 GLU 5 0 11 0 0.0 -0.9 .
1 178 PHE 7 0 17 0 0.0 -0.9 .
1 179 GLN 7 1 23 0 0.0 -0.9 .
1 180 LEU 7 12 33 7 21.2 1.4 >sigma
1 181 HIS 6 5 13 3 23.1 1.6 >sigma
1 182 THR 4 0 20 0 0.0 -0.9 .
1 183 ASN 6 3 15 1 6.7 -0.2 .
1 184 VAL 5 14 25 6 24.0 1.7 >sigma
1 185 ASN 6 8 14 4 28.6 2.2 >sigma
1 186 ASP 4 4 6 1 16.7 0.9 .
1 187 GLY 3 5 9 4 44.4 3.9 >sigma
1 188 THR 4 5 10 2 20.0 1.3 >sigma
1 189 GLU 5 6 12 2 16.7 0.9 .
1 190 PHE 7 5 21 2 9.5 0.1 .
1 191 GLY 3 4 13 2 15.4 0.8 .
1 192 GLY 3 5 18 3 16.7 0.9 .
1 193 SER 4 7 16 3 18.8 1.1 >sigma
1 194 ILE 6 10 34 8 23.5 1.6 >sigma
1 195 TYR 6 5 21 0 0.0 -0.9 .
1 196 GLN 7 4 16 1 6.3 -0.2 .
1 197 LYS 7 2 14 0 0.0 -0.9 .
1 198 VAL 5 1 13 0 0.0 -0.9 .
1 199 ASN 6 0 10 0 0.0 -0.9 .
1 200 LYS 7 0 9 0 0.0 -0.9 .
1 201 LYS 7 0 9 0 0.0 -0.9 .
1 202 LEU 7 0 15 0 0.0 -0.9 .
1 203 GLU 5 0 21 0 0.0 -0.9 .
1 204 THR 4 2 18 1 5.6 -0.3 .
1 205 ALA 3 4 20 1 5.0 -0.3 .
1 206 VAL 5 13 28 6 21.4 1.4 >sigma
1 207 ASN 6 4 15 2 13.3 0.5 .
1 208 LEU 7 15 22 6 27.3 2.0 >sigma
1 209 ALA 3 7 18 2 11.1 0.3 .
1 210 TRP 10 7 21 1 4.8 -0.4 .
1 211 THR 4 3 12 0 0.0 -0.9 .
1 212 ALA 3 5 16 2 12.5 0.5 .
1 213 GLY 3 2 6 1 16.7 0.9 .
1 214 ASN 6 0 7 0 0.0 -0.9 .
1 215 SER 4 0 8 0 0.0 -0.9 .
1 216 ASN 6 0 6 0 0.0 -0.9 .
1 217 THR 4 0 6 0 0.0 -0.9 .
1 218 ARG 7 2 15 1 6.7 -0.2 .
1 219 PHE 7 3 13 1 7.7 -0.1 .
1 220 GLY 3 5 15 2 13.3 0.5 .
1 221 ILE 6 8 28 5 17.9 1.0 >sigma
1 222 ALA 3 3 23 1 4.3 -0.4 .
1 223 ALA 3 3 16 1 6.3 -0.2 .
1 224 LYS 7 1 21 0 0.0 -0.9 .
1 225 TYR 6 3 17 1 5.9 -0.3 .
1 226 GLN 7 3 9 0 0.0 -0.9 .
1 227 ILE 6 6 12 2 16.7 0.9 .
1 228 ASP 4 3 16 3 18.8 1.1 >sigma
1 229 PRO 5 0 9 0 0.0 -0.9 .
1 230 ASP 4 1 9 1 11.1 0.3 .
1 231 ALA 3 5 15 2 13.3 0.5 .
1 232 CYS 4 3 11 0 0.0 -0.9 .
1 233 PHE 7 4 17 1 5.9 -0.3 .
1 234 SER 4 1 18 1 5.6 -0.3 .
1 235 ALA 3 1 20 1 5.0 -0.3 .
1 236 LYS 7 2 18 1 5.6 -0.3 .
1 237 VAL 5 15 38 9 23.7 1.6 >sigma
1 238 ASN 6 12 17 4 23.5 1.6 >sigma
1 239 ASN 6 3 7 1 14.3 0.6 .
1 240 SER 4 4 7 2 28.6 2.2 >sigma
1 241 SER 4 4 7 1 14.3 0.6 .
1 242 LEU 7 21 32 12 37.5 3.1 >sigma
1 243 ILE 6 24 37 7 18.9 1.1 >sigma
1 244 GLY 3 7 17 3 17.6 1.0 >sigma
1 245 LEU 7 1 21 1 4.8 -0.4 .
1 246 GLY 3 1 14 1 7.1 -0.1 .
1 247 TYR 6 1 14 1 7.1 -0.1 .
1 248 THR 4 0 16 0 0.0 -0.9 .
1 249 GLN 7 2 15 1 6.7 -0.2 .
1 250 THR 4 0 13 0 0.0 -0.9 .
1 251 LEU 7 0 10 0 0.0 -0.9 .
1 252 LYS 7 0 14 0 0.0 -0.9 .
1 253 PRO 5 0 12 0 0.0 -0.9 .
1 254 GLY 3 1 7 1 14.3 0.6 .
1 255 ILE 6 1 7 1 14.3 0.6 .
1 256 LYS 7 0 13 0 0.0 -0.9 .
1 257 LEU 7 2 14 1 7.1 -0.1 .
1 258 THR 4 4 18 1 5.6 -0.3 .
1 259 LEU 7 3 11 1 9.1 0.1 .
1 260 SER 4 3 14 1 7.1 -0.1 .
1 261 ALA 3 4 19 1 5.3 -0.3 .
1 262 LEU 7 21 43 11 25.6 1.9 >sigma
1 263 LEU 7 22 41 11 26.8 2.0 >sigma
1 264 ASP 4 10 21 3 14.3 0.6 .
1 265 GLY 3 9 11 4 36.4 3.0 >sigma
1 266 LYS 7 8 11 5 45.5 4.0 >sigma
1 267 ASN 6 5 11 3 27.3 2.0 >sigma
1 268 VAL 5 14 42 10 23.8 1.7 >sigma
1 269 ASN 6 1 13 1 7.7 -0.1 .
1 270 ALA 3 0 8 0 0.0 -0.9 .
1 271 GLY 3 1 7 1 14.3 0.6 .
1 272 GLY 3 2 8 2 25.0 1.8 >sigma
1 273 HIS 6 2 20 1 5.0 -0.3 .
1 274 LYS 7 8 30 5 16.7 0.9 .
1 275 LEU 7 4 16 2 12.5 0.5 .
1 276 GLY 3 5 13 1 7.7 -0.1 .
1 277 LEU 7 7 23 3 13.0 0.5 .
1 278 GLY 3 5 16 1 6.3 -0.2 .
1 279 LEU 7 3 15 1 6.7 -0.2 .
1 280 GLU 5 0 12 0 0.0 -0.9 .
1 281 PHE 7 0 7 0 0.0 -0.9 .
1 282 GLN 7 1 9 0 0.0 -0.9 .
1 283 ALA 3 3 10 1 10.0 0.2 .
1 284 LEU 7 1 9 0 0.0 -0.9 .
1 285 GLU 5 0 7 0 0.0 -0.9 .
stop_
save_
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