NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
527682 |
2lmq   |
18131 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2lmq
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 720
_NOE_completeness_stats.Total_atom_count 8550
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 2970
_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 0.0
_NOE_completeness_stats.Constraint_unexpanded_count 951
_NOE_completeness_stats.Constraint_count 951
_NOE_completeness_stats.Constraint_exp_unfiltered_count 5549
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 951
_NOE_completeness_stats.Constraint_intraresidue_count 0
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 0
_NOE_completeness_stats.Constraint_expected_count 5549
_NOE_completeness_stats.Constraint_matched_count 0
_NOE_completeness_stats.Constraint_unmatched_count 0
_NOE_completeness_stats.Constraint_exp_nonobs_count 5549
_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 0 1904 0 0.0 . >sigma
medium-range 0 435 0 0.0 . >sigma
long-range 0 0 0 . . .
intermolecular 0 3210 0 0.0 . >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 0 0 0 0 0 0 0 0 0 0 . 0 . .
shell 2.00 2.50 594 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 2.50 3.00 886 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 3.00 3.50 1515 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 3.50 4.00 2554 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 4.00 4.50 4446 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 4.50 5.00 6058 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 5.00 5.50 8039 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 5.50 6.00 9392 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 6.00 6.50 10969 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 6.50 7.00 12439 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 7.00 7.50 13879 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 7.50 8.00 14901 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 8.00 8.50 16587 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 8.50 9.00 17515 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
sums . . 119774 0 0 0 0 0 0 0 0 0 . 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 9 GLY 3 0 3 0 0.0 . >sigma
1 10 TYR 6 0 6 0 0.0 . >sigma
1 11 GLU 5 0 7 0 0.0 . >sigma
1 12 VAL 5 0 9 0 0.0 . >sigma
1 13 HIS 6 0 7 0 0.0 . >sigma
1 14 HIS 6 0 10 0 0.0 . >sigma
1 15 GLN 7 0 10 0 0.0 . >sigma
1 16 LYS 7 0 14 0 0.0 . >sigma
1 17 LEU 7 0 21 0 0.0 . >sigma
1 18 VAL 5 0 18 0 0.0 . >sigma
1 19 PHE 7 0 21 0 0.0 . >sigma
1 20 PHE 7 0 15 0 0.0 . >sigma
1 21 ALA 3 0 12 0 0.0 . >sigma
1 22 GLU 5 0 12 0 0.0 . >sigma
1 23 ASP 4 0 7 0 0.0 . >sigma
1 24 VAL 5 0 11 0 0.0 . >sigma
1 25 GLY 3 0 8 0 0.0 . >sigma
1 26 SER 4 0 9 0 0.0 . >sigma
1 27 ASN 6 0 8 0 0.0 . >sigma
1 28 LYS 7 0 8 0 0.0 . >sigma
1 29 GLY 3 0 8 0 0.0 . >sigma
1 30 ALA 3 0 9 0 0.0 . >sigma
1 31 ILE 6 0 30 0 0.0 . >sigma
1 32 ILE 6 0 44 0 0.0 . >sigma
1 33 GLY 3 0 9 0 0.0 . >sigma
1 34 LEU 7 0 28 0 0.0 . >sigma
1 35 MET 6 0 21 0 0.0 . >sigma
1 36 VAL 5 0 41 0 0.0 . >sigma
1 37 GLY 3 0 5 0 0.0 . >sigma
1 38 GLY 3 0 12 0 0.0 . >sigma
1 39 VAL 5 0 19 0 0.0 . >sigma
1 40 VAL 5 0 11 0 0.0 . >sigma
2 9 GLY 3 0 3 0 0.0 . >sigma
2 10 TYR 6 0 6 0 0.0 . >sigma
2 11 GLU 5 0 6 0 0.0 . >sigma
2 12 VAL 5 0 14 0 0.0 . >sigma
2 13 HIS 6 0 8 0 0.0 . >sigma
2 14 HIS 6 0 13 0 0.0 . >sigma
2 15 GLN 7 0 14 0 0.0 . >sigma
2 16 LYS 7 0 32 0 0.0 . >sigma
2 17 LEU 7 0 29 0 0.0 . >sigma
2 18 VAL 5 0 34 0 0.0 . >sigma
2 19 PHE 7 0 28 0 0.0 . >sigma
2 20 PHE 7 0 24 0 0.0 . >sigma
2 21 ALA 3 0 17 0 0.0 . >sigma
2 22 GLU 5 0 17 0 0.0 . >sigma
2 23 ASP 4 0 6 0 0.0 . >sigma
2 24 VAL 5 0 12 0 0.0 . >sigma
2 25 GLY 3 0 9 0 0.0 . >sigma
2 26 SER 4 0 9 0 0.0 . >sigma
2 27 ASN 6 0 8 0 0.0 . >sigma
2 28 LYS 7 0 7 0 0.0 . >sigma
2 29 GLY 3 0 12 0 0.0 . >sigma
2 30 ALA 3 0 11 0 0.0 . >sigma
2 31 ILE 6 0 46 0 0.0 . >sigma
2 32 ILE 6 0 59 0 0.0 . >sigma
2 33 GLY 3 0 13 0 0.0 . >sigma
2 34 LEU 7 0 61 0 0.0 . >sigma
2 35 MET 6 0 33 0 0.0 . >sigma
2 36 VAL 5 0 50 0 0.0 . >sigma
2 37 GLY 3 0 11 0 0.0 . >sigma
2 38 GLY 3 0 12 0 0.0 . >sigma
2 39 VAL 5 0 28 0 0.0 . >sigma
2 40 VAL 5 0 9 0 0.0 . >sigma
3 9 GLY 3 0 3 0 0.0 . >sigma
3 10 TYR 6 0 7 0 0.0 . >sigma
3 11 GLU 5 0 7 0 0.0 . >sigma
3 12 VAL 5 0 21 0 0.0 . >sigma
3 13 HIS 6 0 13 0 0.0 . >sigma
3 14 HIS 6 0 12 0 0.0 . >sigma
3 15 GLN 7 0 14 0 0.0 . >sigma
3 16 LYS 7 0 42 0 0.0 . >sigma
3 17 LEU 7 0 51 0 0.0 . >sigma
3 18 VAL 5 0 35 0 0.0 . >sigma
3 19 PHE 7 0 57 0 0.0 . >sigma
3 20 PHE 7 0 34 0 0.0 . >sigma
3 21 ALA 3 0 16 0 0.0 . >sigma
3 22 GLU 5 0 16 0 0.0 . >sigma
3 23 ASP 4 0 9 0 0.0 . >sigma
3 24 VAL 5 0 12 0 0.0 . >sigma
3 25 GLY 3 0 9 0 0.0 . >sigma
3 26 SER 4 0 9 0 0.0 . >sigma
3 27 ASN 6 0 8 0 0.0 . >sigma
3 28 LYS 7 0 7 0 0.0 . >sigma
3 29 GLY 3 0 11 0 0.0 . >sigma
3 30 ALA 3 0 11 0 0.0 . >sigma
3 31 ILE 6 0 50 0 0.0 . >sigma
3 32 ILE 6 0 61 0 0.0 . >sigma
3 33 GLY 3 0 12 0 0.0 . >sigma
3 34 LEU 7 0 56 0 0.0 . >sigma
3 35 MET 6 0 32 0 0.0 . >sigma
3 36 VAL 5 0 46 0 0.0 . >sigma
3 37 GLY 3 0 10 0 0.0 . >sigma
3 38 GLY 3 0 9 0 0.0 . >sigma
3 39 VAL 5 0 17 0 0.0 . >sigma
3 40 VAL 5 0 9 0 0.0 . >sigma
4 9 GLY 3 0 3 0 0.0 . >sigma
4 10 TYR 6 0 7 0 0.0 . >sigma
4 11 GLU 5 0 7 0 0.0 . >sigma
4 12 VAL 5 0 22 0 0.0 . >sigma
4 13 HIS 6 0 11 0 0.0 . >sigma
4 14 HIS 6 0 12 0 0.0 . >sigma
4 15 GLN 7 0 26 0 0.0 . >sigma
4 16 LYS 7 0 42 0 0.0 . >sigma
4 17 LEU 7 0 65 0 0.0 . >sigma
4 18 VAL 5 0 39 0 0.0 . >sigma
4 19 PHE 7 0 68 0 0.0 . >sigma
4 20 PHE 7 0 36 0 0.0 . >sigma
4 21 ALA 3 0 15 0 0.0 . >sigma
4 22 GLU 5 0 17 0 0.0 . >sigma
4 23 ASP 4 0 9 0 0.0 . >sigma
4 24 VAL 5 0 8 0 0.0 . >sigma
4 25 GLY 3 0 7 0 0.0 . >sigma
4 26 SER 4 0 8 0 0.0 . >sigma
4 27 ASN 6 0 6 0 0.0 . >sigma
4 28 LYS 7 0 6 0 0.0 . >sigma
4 29 GLY 3 0 6 0 0.0 . >sigma
4 30 ALA 3 0 12 0 0.0 . >sigma
4 31 ILE 6 0 47 0 0.0 . >sigma
4 32 ILE 6 0 57 0 0.0 . >sigma
4 33 GLY 3 0 14 0 0.0 . >sigma
4 34 LEU 7 0 46 0 0.0 . >sigma
4 35 MET 6 0 32 0 0.0 . >sigma
4 36 VAL 5 0 45 0 0.0 . >sigma
4 37 GLY 3 0 12 0 0.0 . >sigma
4 38 GLY 3 0 9 0 0.0 . >sigma
4 39 VAL 5 0 19 0 0.0 . >sigma
4 40 VAL 5 0 8 0 0.0 . >sigma
5 9 GLY 3 0 3 0 0.0 . >sigma
5 10 TYR 6 0 6 0 0.0 . >sigma
5 11 GLU 5 0 8 0 0.0 . >sigma
5 12 VAL 5 0 24 0 0.0 . >sigma
5 13 HIS 6 0 11 0 0.0 . >sigma
5 14 HIS 6 0 13 0 0.0 . >sigma
5 15 GLN 7 0 26 0 0.0 . >sigma
5 16 LYS 7 0 35 0 0.0 . >sigma
5 17 LEU 7 0 58 0 0.0 . >sigma
5 18 VAL 5 0 39 0 0.0 . >sigma
5 19 PHE 7 0 70 0 0.0 . >sigma
5 20 PHE 7 0 28 0 0.0 . >sigma
5 21 ALA 3 0 14 0 0.0 . >sigma
5 22 GLU 5 0 15 0 0.0 . >sigma
5 23 ASP 4 0 10 0 0.0 . >sigma
5 24 VAL 5 0 9 0 0.0 . >sigma
5 25 GLY 3 0 7 0 0.0 . >sigma
5 26 SER 4 0 9 0 0.0 . >sigma
5 27 ASN 6 0 9 0 0.0 . >sigma
5 28 LYS 7 0 7 0 0.0 . >sigma
5 29 GLY 3 0 10 0 0.0 . >sigma
5 30 ALA 3 0 14 0 0.0 . >sigma
5 31 ILE 6 0 50 0 0.0 . >sigma
5 32 ILE 6 0 45 0 0.0 . >sigma
5 33 GLY 3 0 13 0 0.0 . >sigma
5 34 LEU 7 0 31 0 0.0 . >sigma
5 35 MET 6 0 25 0 0.0 . >sigma
5 36 VAL 5 0 23 0 0.0 . >sigma
5 37 GLY 3 0 12 0 0.0 . >sigma
5 38 GLY 3 0 8 0 0.0 . >sigma
5 39 VAL 5 0 21 0 0.0 . >sigma
5 40 VAL 5 0 5 0 0.0 . >sigma
6 9 GLY 3 0 3 0 0.0 . >sigma
6 10 TYR 6 0 6 0 0.0 . >sigma
6 11 GLU 5 0 7 0 0.0 . >sigma
6 12 VAL 5 0 17 0 0.0 . >sigma
6 13 HIS 6 0 12 0 0.0 . >sigma
6 14 HIS 6 0 9 0 0.0 . >sigma
6 15 GLN 7 0 26 0 0.0 . >sigma
6 16 LYS 7 0 24 0 0.0 . >sigma
6 17 LEU 7 0 50 0 0.0 . >sigma
6 18 VAL 5 0 27 0 0.0 . >sigma
6 19 PHE 7 0 50 0 0.0 . >sigma
6 20 PHE 7 0 20 0 0.0 . >sigma
6 21 ALA 3 0 10 0 0.0 . >sigma
6 22 GLU 5 0 13 0 0.0 . >sigma
6 23 ASP 4 0 6 0 0.0 . >sigma
6 24 VAL 5 0 9 0 0.0 . >sigma
6 25 GLY 3 0 7 0 0.0 . >sigma
6 26 SER 4 0 7 0 0.0 . >sigma
6 27 ASN 6 0 5 0 0.0 . >sigma
6 28 LYS 7 0 7 0 0.0 . >sigma
6 29 GLY 3 0 7 0 0.0 . >sigma
6 30 ALA 3 0 11 0 0.0 . >sigma
6 31 ILE 6 0 34 0 0.0 . >sigma
6 32 ILE 6 0 19 0 0.0 . >sigma
6 33 GLY 3 0 12 0 0.0 . >sigma
6 34 LEU 7 0 11 0 0.0 . >sigma
6 35 MET 6 0 16 0 0.0 . >sigma
6 36 VAL 5 0 15 0 0.0 . >sigma
6 37 GLY 3 0 8 0 0.0 . >sigma
6 38 GLY 3 0 9 0 0.0 . >sigma
6 39 VAL 5 0 20 0 0.0 . >sigma
6 40 VAL 5 0 7 0 0.0 . >sigma
7 9 GLY 3 0 3 0 0.0 . >sigma
7 10 TYR 6 0 6 0 0.0 . >sigma
7 11 GLU 5 0 7 0 0.0 . >sigma
7 12 VAL 5 0 9 0 0.0 . >sigma
7 13 HIS 6 0 7 0 0.0 . >sigma
7 14 HIS 6 0 10 0 0.0 . >sigma
7 15 GLN 7 0 12 0 0.0 . >sigma
7 16 LYS 7 0 15 0 0.0 . >sigma
7 17 LEU 7 0 17 0 0.0 . >sigma
7 18 VAL 5 0 18 0 0.0 . >sigma
7 19 PHE 7 0 20 0 0.0 . >sigma
7 20 PHE 7 0 13 0 0.0 . >sigma
7 21 ALA 3 0 15 0 0.0 . >sigma
7 22 GLU 5 0 10 0 0.0 . >sigma
7 23 ASP 4 0 6 0 0.0 . >sigma
7 24 VAL 5 0 9 0 0.0 . >sigma
7 25 GLY 3 0 7 0 0.0 . >sigma
7 26 SER 4 0 8 0 0.0 . >sigma
7 27 ASN 6 0 7 0 0.0 . >sigma
7 28 LYS 7 0 7 0 0.0 . >sigma
7 29 GLY 3 0 8 0 0.0 . >sigma
7 30 ALA 3 0 11 0 0.0 . >sigma
7 31 ILE 6 0 30 0 0.0 . >sigma
7 32 ILE 6 0 41 0 0.0 . >sigma
7 33 GLY 3 0 8 0 0.0 . >sigma
7 34 LEU 7 0 28 0 0.0 . >sigma
7 35 MET 6 0 18 0 0.0 . >sigma
7 36 VAL 5 0 39 0 0.0 . >sigma
7 37 GLY 3 0 5 0 0.0 . >sigma
7 38 GLY 3 0 13 0 0.0 . >sigma
7 39 VAL 5 0 19 0 0.0 . >sigma
7 40 VAL 5 0 12 0 0.0 . >sigma
8 9 GLY 3 0 3 0 0.0 . >sigma
8 10 TYR 6 0 7 0 0.0 . >sigma
8 11 GLU 5 0 8 0 0.0 . >sigma
8 12 VAL 5 0 11 0 0.0 . >sigma
8 13 HIS 6 0 8 0 0.0 . >sigma
8 14 HIS 6 0 11 0 0.0 . >sigma
8 15 GLN 7 0 14 0 0.0 . >sigma
8 16 LYS 7 0 33 0 0.0 . >sigma
8 17 LEU 7 0 24 0 0.0 . >sigma
8 18 VAL 5 0 34 0 0.0 . >sigma
8 19 PHE 7 0 28 0 0.0 . >sigma
8 20 PHE 7 0 21 0 0.0 . >sigma
8 21 ALA 3 0 16 0 0.0 . >sigma
8 22 GLU 5 0 17 0 0.0 . >sigma
8 23 ASP 4 0 9 0 0.0 . >sigma
8 24 VAL 5 0 9 0 0.0 . >sigma
8 25 GLY 3 0 9 0 0.0 . >sigma
8 26 SER 4 0 7 0 0.0 . >sigma
8 27 ASN 6 0 7 0 0.0 . >sigma
8 28 LYS 7 0 7 0 0.0 . >sigma
8 29 GLY 3 0 10 0 0.0 . >sigma
8 30 ALA 3 0 10 0 0.0 . >sigma
8 31 ILE 6 0 45 0 0.0 . >sigma
8 32 ILE 6 0 59 0 0.0 . >sigma
8 33 GLY 3 0 13 0 0.0 . >sigma
8 34 LEU 7 0 62 0 0.0 . >sigma
8 35 MET 6 0 33 0 0.0 . >sigma
8 36 VAL 5 0 54 0 0.0 . >sigma
8 37 GLY 3 0 10 0 0.0 . >sigma
8 38 GLY 3 0 11 0 0.0 . >sigma
8 39 VAL 5 0 39 0 0.0 . >sigma
8 40 VAL 5 0 12 0 0.0 . >sigma
9 9 GLY 3 0 3 0 0.0 . >sigma
9 10 TYR 6 0 7 0 0.0 . >sigma
9 11 GLU 5 0 9 0 0.0 . >sigma
9 12 VAL 5 0 19 0 0.0 . >sigma
9 13 HIS 6 0 10 0 0.0 . >sigma
9 14 HIS 6 0 12 0 0.0 . >sigma
9 15 GLN 7 0 22 0 0.0 . >sigma
9 16 LYS 7 0 36 0 0.0 . >sigma
9 17 LEU 7 0 49 0 0.0 . >sigma
9 18 VAL 5 0 34 0 0.0 . >sigma
9 19 PHE 7 0 50 0 0.0 . >sigma
9 20 PHE 7 0 29 0 0.0 . >sigma
9 21 ALA 3 0 16 0 0.0 . >sigma
9 22 GLU 5 0 21 0 0.0 . >sigma
9 23 ASP 4 0 8 0 0.0 . >sigma
9 24 VAL 5 0 8 0 0.0 . >sigma
9 25 GLY 3 0 7 0 0.0 . >sigma
9 26 SER 4 0 6 0 0.0 . >sigma
9 27 ASN 6 0 7 0 0.0 . >sigma
9 28 LYS 7 0 7 0 0.0 . >sigma
9 29 GLY 3 0 9 0 0.0 . >sigma
9 30 ALA 3 0 12 0 0.0 . >sigma
9 31 ILE 6 0 44 0 0.0 . >sigma
9 32 ILE 6 0 58 0 0.0 . >sigma
9 33 GLY 3 0 13 0 0.0 . >sigma
9 34 LEU 7 0 60 0 0.0 . >sigma
9 35 MET 6 0 31 0 0.0 . >sigma
9 36 VAL 5 0 55 0 0.0 . >sigma
9 37 GLY 3 0 9 0 0.0 . >sigma
9 38 GLY 3 0 8 0 0.0 . >sigma
9 39 VAL 5 0 37 0 0.0 . >sigma
9 40 VAL 5 0 16 0 0.0 . >sigma
10 9 GLY 3 0 3 0 0.0 . >sigma
10 10 TYR 6 0 6 0 0.0 . >sigma
10 11 GLU 5 0 7 0 0.0 . >sigma
10 12 VAL 5 0 21 0 0.0 . >sigma
10 13 HIS 6 0 7 0 0.0 . >sigma
10 14 HIS 6 0 11 0 0.0 . >sigma
10 15 GLN 7 0 31 0 0.0 . >sigma
10 16 LYS 7 0 32 0 0.0 . >sigma
10 17 LEU 7 0 65 0 0.0 . >sigma
10 18 VAL 5 0 35 0 0.0 . >sigma
10 19 PHE 7 0 68 0 0.0 . >sigma
10 20 PHE 7 0 32 0 0.0 . >sigma
10 21 ALA 3 0 13 0 0.0 . >sigma
10 22 GLU 5 0 14 0 0.0 . >sigma
10 23 ASP 4 0 9 0 0.0 . >sigma
10 24 VAL 5 0 9 0 0.0 . >sigma
10 25 GLY 3 0 9 0 0.0 . >sigma
10 26 SER 4 0 7 0 0.0 . >sigma
10 27 ASN 6 0 8 0 0.0 . >sigma
10 28 LYS 7 0 7 0 0.0 . >sigma
10 29 GLY 3 0 9 0 0.0 . >sigma
10 30 ALA 3 0 13 0 0.0 . >sigma
10 31 ILE 6 0 44 0 0.0 . >sigma
10 32 ILE 6 0 56 0 0.0 . >sigma
10 33 GLY 3 0 12 0 0.0 . >sigma
10 34 LEU 7 0 55 0 0.0 . >sigma
10 35 MET 6 0 27 0 0.0 . >sigma
10 36 VAL 5 0 47 0 0.0 . >sigma
10 37 GLY 3 0 9 0 0.0 . >sigma
10 38 GLY 3 0 7 0 0.0 . >sigma
10 39 VAL 5 0 27 0 0.0 . >sigma
10 40 VAL 5 0 13 0 0.0 . >sigma
11 9 GLY 3 0 3 0 0.0 . >sigma
11 10 TYR 6 0 6 0 0.0 . >sigma
11 11 GLU 5 0 8 0 0.0 . >sigma
11 12 VAL 5 0 24 0 0.0 . >sigma
11 13 HIS 6 0 12 0 0.0 . >sigma
11 14 HIS 6 0 10 0 0.0 . >sigma
11 15 GLN 7 0 36 0 0.0 . >sigma
11 16 LYS 7 0 30 0 0.0 . >sigma
11 17 LEU 7 0 60 0 0.0 . >sigma
11 18 VAL 5 0 33 0 0.0 . >sigma
11 19 PHE 7 0 67 0 0.0 . >sigma
11 20 PHE 7 0 29 0 0.0 . >sigma
11 21 ALA 3 0 14 0 0.0 . >sigma
11 22 GLU 5 0 19 0 0.0 . >sigma
11 23 ASP 4 0 10 0 0.0 . >sigma
11 24 VAL 5 0 10 0 0.0 . >sigma
11 25 GLY 3 0 8 0 0.0 . >sigma
11 26 SER 4 0 8 0 0.0 . >sigma
11 27 ASN 6 0 8 0 0.0 . >sigma
11 28 LYS 7 0 7 0 0.0 . >sigma
11 29 GLY 3 0 10 0 0.0 . >sigma
11 30 ALA 3 0 12 0 0.0 . >sigma
11 31 ILE 6 0 49 0 0.0 . >sigma
11 32 ILE 6 0 41 0 0.0 . >sigma
11 33 GLY 3 0 11 0 0.0 . >sigma
11 34 LEU 7 0 32 0 0.0 . >sigma
11 35 MET 6 0 25 0 0.0 . >sigma
11 36 VAL 5 0 34 0 0.0 . >sigma
11 37 GLY 3 0 14 0 0.0 . >sigma
11 38 GLY 3 0 9 0 0.0 . >sigma
11 39 VAL 5 0 19 0 0.0 . >sigma
11 40 VAL 5 0 2 0 0.0 . >sigma
12 9 GLY 3 0 3 0 0.0 . >sigma
12 10 TYR 6 0 7 0 0.0 . >sigma
12 11 GLU 5 0 9 0 0.0 . >sigma
12 12 VAL 5 0 17 0 0.0 . >sigma
12 13 HIS 6 0 10 0 0.0 . >sigma
12 14 HIS 6 0 7 0 0.0 . >sigma
12 15 GLN 7 0 19 0 0.0 . >sigma
12 16 LYS 7 0 25 0 0.0 . >sigma
12 17 LEU 7 0 45 0 0.0 . >sigma
12 18 VAL 5 0 29 0 0.0 . >sigma
12 19 PHE 7 0 47 0 0.0 . >sigma
12 20 PHE 7 0 24 0 0.0 . >sigma
12 21 ALA 3 0 10 0 0.0 . >sigma
12 22 GLU 5 0 16 0 0.0 . >sigma
12 23 ASP 4 0 5 0 0.0 . >sigma
12 24 VAL 5 0 8 0 0.0 . >sigma
12 25 GLY 3 0 7 0 0.0 . >sigma
12 26 SER 4 0 8 0 0.0 . >sigma
12 27 ASN 6 0 6 0 0.0 . >sigma
12 28 LYS 7 0 7 0 0.0 . >sigma
12 29 GLY 3 0 7 0 0.0 . >sigma
12 30 ALA 3 0 13 0 0.0 . >sigma
12 31 ILE 6 0 37 0 0.0 . >sigma
12 32 ILE 6 0 27 0 0.0 . >sigma
12 33 GLY 3 0 11 0 0.0 . >sigma
12 34 LEU 7 0 16 0 0.0 . >sigma
12 35 MET 6 0 19 0 0.0 . >sigma
12 36 VAL 5 0 19 0 0.0 . >sigma
12 37 GLY 3 0 10 0 0.0 . >sigma
12 38 GLY 3 0 8 0 0.0 . >sigma
12 39 VAL 5 0 18 0 0.0 . >sigma
12 40 VAL 5 0 6 0 0.0 . >sigma
13 9 GLY 3 0 3 0 0.0 . >sigma
13 10 TYR 6 0 7 0 0.0 . >sigma
13 11 GLU 5 0 8 0 0.0 . >sigma
13 12 VAL 5 0 9 0 0.0 . >sigma
13 13 HIS 6 0 6 0 0.0 . >sigma
13 14 HIS 6 0 12 0 0.0 . >sigma
13 15 GLN 7 0 16 0 0.0 . >sigma
13 16 LYS 7 0 18 0 0.0 . >sigma
13 17 LEU 7 0 26 0 0.0 . >sigma
13 18 VAL 5 0 19 0 0.0 . >sigma
13 19 PHE 7 0 19 0 0.0 . >sigma
13 20 PHE 7 0 17 0 0.0 . >sigma
13 21 ALA 3 0 17 0 0.0 . >sigma
13 22 GLU 5 0 11 0 0.0 . >sigma
13 23 ASP 4 0 6 0 0.0 . >sigma
13 24 VAL 5 0 10 0 0.0 . >sigma
13 25 GLY 3 0 7 0 0.0 . >sigma
13 26 SER 4 0 8 0 0.0 . >sigma
13 27 ASN 6 0 6 0 0.0 . >sigma
13 28 LYS 7 0 7 0 0.0 . >sigma
13 29 GLY 3 0 7 0 0.0 . >sigma
13 30 ALA 3 0 11 0 0.0 . >sigma
13 31 ILE 6 0 29 0 0.0 . >sigma
13 32 ILE 6 0 46 0 0.0 . >sigma
13 33 GLY 3 0 8 0 0.0 . >sigma
13 34 LEU 7 0 31 0 0.0 . >sigma
13 35 MET 6 0 20 0 0.0 . >sigma
13 36 VAL 5 0 44 0 0.0 . >sigma
13 37 GLY 3 0 8 0 0.0 . >sigma
13 38 GLY 3 0 11 0 0.0 . >sigma
13 39 VAL 5 0 21 0 0.0 . >sigma
13 40 VAL 5 0 12 0 0.0 . >sigma
14 9 GLY 3 0 4 0 0.0 . >sigma
14 10 TYR 6 0 7 0 0.0 . >sigma
14 11 GLU 5 0 7 0 0.0 . >sigma
14 12 VAL 5 0 17 0 0.0 . >sigma
14 13 HIS 6 0 8 0 0.0 . >sigma
14 14 HIS 6 0 10 0 0.0 . >sigma
14 15 GLN 7 0 18 0 0.0 . >sigma
14 16 LYS 7 0 33 0 0.0 . >sigma
14 17 LEU 7 0 36 0 0.0 . >sigma
14 18 VAL 5 0 39 0 0.0 . >sigma
14 19 PHE 7 0 30 0 0.0 . >sigma
14 20 PHE 7 0 25 0 0.0 . >sigma
14 21 ALA 3 0 19 0 0.0 . >sigma
14 22 GLU 5 0 15 0 0.0 . >sigma
14 23 ASP 4 0 7 0 0.0 . >sigma
14 24 VAL 5 0 9 0 0.0 . >sigma
14 25 GLY 3 0 7 0 0.0 . >sigma
14 26 SER 4 0 9 0 0.0 . >sigma
14 27 ASN 6 0 7 0 0.0 . >sigma
14 28 LYS 7 0 7 0 0.0 . >sigma
14 29 GLY 3 0 7 0 0.0 . >sigma
14 30 ALA 3 0 13 0 0.0 . >sigma
14 31 ILE 6 0 39 0 0.0 . >sigma
14 32 ILE 6 0 58 0 0.0 . >sigma
14 33 GLY 3 0 12 0 0.0 . >sigma
14 34 LEU 7 0 57 0 0.0 . >sigma
14 35 MET 6 0 31 0 0.0 . >sigma
14 36 VAL 5 0 48 0 0.0 . >sigma
14 37 GLY 3 0 10 0 0.0 . >sigma
14 38 GLY 3 0 10 0 0.0 . >sigma
14 39 VAL 5 0 36 0 0.0 . >sigma
14 40 VAL 5 0 14 0 0.0 . >sigma
15 9 GLY 3 0 4 0 0.0 . >sigma
15 10 TYR 6 0 9 0 0.0 . >sigma
15 11 GLU 5 0 10 0 0.0 . >sigma
15 12 VAL 5 0 21 0 0.0 . >sigma
15 13 HIS 6 0 9 0 0.0 . >sigma
15 14 HIS 6 0 12 0 0.0 . >sigma
15 15 GLN 7 0 23 0 0.0 . >sigma
15 16 LYS 7 0 35 0 0.0 . >sigma
15 17 LEU 7 0 56 0 0.0 . >sigma
15 18 VAL 5 0 36 0 0.0 . >sigma
15 19 PHE 7 0 52 0 0.0 . >sigma
15 20 PHE 7 0 33 0 0.0 . >sigma
15 21 ALA 3 0 19 0 0.0 . >sigma
15 22 GLU 5 0 17 0 0.0 . >sigma
15 23 ASP 4 0 8 0 0.0 . >sigma
15 24 VAL 5 0 9 0 0.0 . >sigma
15 25 GLY 3 0 7 0 0.0 . >sigma
15 26 SER 4 0 9 0 0.0 . >sigma
15 27 ASN 6 0 7 0 0.0 . >sigma
15 28 LYS 7 0 7 0 0.0 . >sigma
15 29 GLY 3 0 8 0 0.0 . >sigma
15 30 ALA 3 0 14 0 0.0 . >sigma
15 31 ILE 6 0 50 0 0.0 . >sigma
15 32 ILE 6 0 58 0 0.0 . >sigma
15 33 GLY 3 0 14 0 0.0 . >sigma
15 34 LEU 7 0 53 0 0.0 . >sigma
15 35 MET 6 0 35 0 0.0 . >sigma
15 36 VAL 5 0 55 0 0.0 . >sigma
15 37 GLY 3 0 9 0 0.0 . >sigma
15 38 GLY 3 0 8 0 0.0 . >sigma
15 39 VAL 5 0 36 0 0.0 . >sigma
15 40 VAL 5 0 13 0 0.0 . >sigma
16 9 GLY 3 0 4 0 0.0 . >sigma
16 10 TYR 6 0 8 0 0.0 . >sigma
16 11 GLU 5 0 7 0 0.0 . >sigma
16 12 VAL 5 0 21 0 0.0 . >sigma
16 13 HIS 6 0 12 0 0.0 . >sigma
16 14 HIS 6 0 12 0 0.0 . >sigma
16 15 GLN 7 0 29 0 0.0 . >sigma
16 16 LYS 7 0 37 0 0.0 . >sigma
16 17 LEU 7 0 69 0 0.0 . >sigma
16 18 VAL 5 0 31 0 0.0 . >sigma
16 19 PHE 7 0 65 0 0.0 . >sigma
16 20 PHE 7 0 35 0 0.0 . >sigma
16 21 ALA 3 0 17 0 0.0 . >sigma
16 22 GLU 5 0 19 0 0.0 . >sigma
16 23 ASP 4 0 11 0 0.0 . >sigma
16 24 VAL 5 0 9 0 0.0 . >sigma
16 25 GLY 3 0 7 0 0.0 . >sigma
16 26 SER 4 0 7 0 0.0 . >sigma
16 27 ASN 6 0 5 0 0.0 . >sigma
16 28 LYS 7 0 7 0 0.0 . >sigma
16 29 GLY 3 0 7 0 0.0 . >sigma
16 30 ALA 3 0 13 0 0.0 . >sigma
16 31 ILE 6 0 47 0 0.0 . >sigma
16 32 ILE 6 0 55 0 0.0 . >sigma
16 33 GLY 3 0 12 0 0.0 . >sigma
16 34 LEU 7 0 52 0 0.0 . >sigma
16 35 MET 6 0 28 0 0.0 . >sigma
16 36 VAL 5 0 49 0 0.0 . >sigma
16 37 GLY 3 0 8 0 0.0 . >sigma
16 38 GLY 3 0 5 0 0.0 . >sigma
16 39 VAL 5 0 23 0 0.0 . >sigma
16 40 VAL 5 0 12 0 0.0 . >sigma
17 9 GLY 3 0 3 0 0.0 . >sigma
17 10 TYR 6 0 6 0 0.0 . >sigma
17 11 GLU 5 0 10 0 0.0 . >sigma
17 12 VAL 5 0 23 0 0.0 . >sigma
17 13 HIS 6 0 12 0 0.0 . >sigma
17 14 HIS 6 0 12 0 0.0 . >sigma
17 15 GLN 7 0 28 0 0.0 . >sigma
17 16 LYS 7 0 35 0 0.0 . >sigma
17 17 LEU 7 0 66 0 0.0 . >sigma
17 18 VAL 5 0 36 0 0.0 . >sigma
17 19 PHE 7 0 68 0 0.0 . >sigma
17 20 PHE 7 0 32 0 0.0 . >sigma
17 21 ALA 3 0 15 0 0.0 . >sigma
17 22 GLU 5 0 23 0 0.0 . >sigma
17 23 ASP 4 0 9 0 0.0 . >sigma
17 24 VAL 5 0 12 0 0.0 . >sigma
17 25 GLY 3 0 9 0 0.0 . >sigma
17 26 SER 4 0 8 0 0.0 . >sigma
17 27 ASN 6 0 6 0 0.0 . >sigma
17 28 LYS 7 0 7 0 0.0 . >sigma
17 29 GLY 3 0 7 0 0.0 . >sigma
17 30 ALA 3 0 14 0 0.0 . >sigma
17 31 ILE 6 0 46 0 0.0 . >sigma
17 32 ILE 6 0 45 0 0.0 . >sigma
17 33 GLY 3 0 14 0 0.0 . >sigma
17 34 LEU 7 0 33 0 0.0 . >sigma
17 35 MET 6 0 27 0 0.0 . >sigma
17 36 VAL 5 0 35 0 0.0 . >sigma
17 37 GLY 3 0 11 0 0.0 . >sigma
17 38 GLY 3 0 8 0 0.0 . >sigma
17 39 VAL 5 0 23 0 0.0 . >sigma
17 40 VAL 5 0 7 0 0.0 . >sigma
18 9 GLY 3 0 3 0 0.0 . >sigma
18 10 TYR 6 0 7 0 0.0 . >sigma
18 11 GLU 5 0 10 0 0.0 . >sigma
18 12 VAL 5 0 16 0 0.0 . >sigma
18 13 HIS 6 0 11 0 0.0 . >sigma
18 14 HIS 6 0 8 0 0.0 . >sigma
18 15 GLN 7 0 24 0 0.0 . >sigma
18 16 LYS 7 0 21 0 0.0 . >sigma
18 17 LEU 7 0 46 0 0.0 . >sigma
18 18 VAL 5 0 28 0 0.0 . >sigma
18 19 PHE 7 0 49 0 0.0 . >sigma
18 20 PHE 7 0 20 0 0.0 . >sigma
18 21 ALA 3 0 10 0 0.0 . >sigma
18 22 GLU 5 0 17 0 0.0 . >sigma
18 23 ASP 4 0 6 0 0.0 . >sigma
18 24 VAL 5 0 10 0 0.0 . >sigma
18 25 GLY 3 0 8 0 0.0 . >sigma
18 26 SER 4 0 8 0 0.0 . >sigma
18 27 ASN 6 0 6 0 0.0 . >sigma
18 28 LYS 7 0 6 0 0.0 . >sigma
18 29 GLY 3 0 6 0 0.0 . >sigma
18 30 ALA 3 0 12 0 0.0 . >sigma
18 31 ILE 6 0 34 0 0.0 . >sigma
18 32 ILE 6 0 24 0 0.0 . >sigma
18 33 GLY 3 0 11 0 0.0 . >sigma
18 34 LEU 7 0 12 0 0.0 . >sigma
18 35 MET 6 0 17 0 0.0 . >sigma
18 36 VAL 5 0 20 0 0.0 . >sigma
18 37 GLY 3 0 10 0 0.0 . >sigma
18 38 GLY 3 0 8 0 0.0 . >sigma
18 39 VAL 5 0 17 0 0.0 . >sigma
18 40 VAL 5 0 8 0 0.0 . >sigma
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 14, 2024 2:36:11 AM GMT (wattos1)