NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
623273 |
6ba6   |
30353 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6ba6
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 261
_NOE_completeness_stats.Total_atom_count 4045
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1422
_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 35.3
_NOE_completeness_stats.Constraint_unexpanded_count 3463
_NOE_completeness_stats.Constraint_count 3463
_NOE_completeness_stats.Constraint_exp_unfiltered_count 4241
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 0
_NOE_completeness_stats.Constraint_intraresidue_count 864
_NOE_completeness_stats.Constraint_surplus_count 65
_NOE_completeness_stats.Constraint_observed_count 2534
_NOE_completeness_stats.Constraint_expected_count 4188
_NOE_completeness_stats.Constraint_matched_count 1477
_NOE_completeness_stats.Constraint_unmatched_count 1057
_NOE_completeness_stats.Constraint_exp_nonobs_count 2711
_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 1120 1177 708 60.2 1.3 >sigma
medium-range 601 980 310 31.6 -0.1 .
long-range 738 1815 416 22.9 -0.5 .
intermolecular 75 216 43 19.9 -0.7 .
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 48 38 0 9 3 22 2 0 2 0 . 0 79.2 79.2
shell 2.00 2.50 493 274 0 40 42 163 10 0 12 6 . 1 55.6 57.7
shell 2.50 3.00 690 282 0 26 43 160 30 1 13 6 . 3 40.9 48.3
shell 3.00 3.50 1099 387 0 11 35 235 45 1 36 16 . 8 35.2 42.1
shell 3.50 4.00 1858 496 0 0 11 292 76 2 84 19 . 12 26.7 35.3
shell 4.00 4.50 2847 473 0 0 0 17 239 17 148 35 . 17 16.6 27.7
shell 4.50 5.00 4005 335 0 0 0 0 41 81 160 33 . 20 8.4 20.7
shell 5.00 5.50 4743 156 0 0 0 0 0 12 105 20 . 19 3.3 15.5
shell 5.50 6.00 5335 68 0 0 0 0 0 0 5 41 . 22 1.3 11.9
shell 6.00 6.50 6149 22 0 0 0 0 0 0 0 2 . 20 0.4 9.3
shell 6.50 7.00 6800 1 0 0 0 0 0 0 0 0 . 1 0.0 7.4
shell 7.00 7.50 7502 2 0 0 0 0 0 0 0 0 . 2 0.0 6.1
shell 7.50 8.00 8171 0 0 0 0 0 0 0 0 0 . 0 0.0 5.1
shell 8.00 8.50 8862 0 0 0 0 0 0 0 0 0 . 0 0.0 4.3
shell 8.50 9.00 9662 0 0 0 0 0 0 0 0 0 . 0 0.0 3.7
sums . . 68264 2534 0 86 134 889 443 114 565 178 . 125 . .
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 8 MET 6 2 10 2 20.0 -1.1 >sigma
1 9 VAL 5 12 26 7 26.9 -0.7 .
1 10 ALA 3 22 26 13 50.0 0.7 .
1 11 LEU 7 38 72 21 29.2 -0.6 .
1 12 SER 4 33 36 21 58.3 1.2 >sigma
1 13 LEU 7 33 77 19 24.7 -0.9 .
1 14 LYS 7 20 43 12 27.9 -0.7 .
1 15 ILE 6 17 55 12 21.8 -1.0 >sigma
1 16 SER 4 12 20 7 35.0 -0.2 .
1 17 ILE 6 22 49 13 26.5 -0.7 .
1 18 GLY 3 16 7 6 85.7 2.8 >sigma
1 19 ASN 6 17 30 10 33.3 -0.3 .
1 20 VAL 5 3 43 2 4.7 -2.1 >sigma
1 21 VAL 5 9 37 8 21.6 -1.0 >sigma
1 22 LYS 7 7 48 4 8.3 -1.8 >sigma
1 23 THR 4 13 39 12 30.8 -0.5 .
1 24 MET 6 14 48 12 25.0 -0.8 .
1 25 GLN 7 27 48 18 37.5 -0.1 .
1 26 PHE 7 28 68 17 25.0 -0.8 .
1 27 GLU 5 21 25 14 56.0 1.0 >sigma
1 28 PRO 5 24 34 15 44.1 0.3 .
1 29 SER 4 18 15 10 66.7 1.7 >sigma
1 30 THR 4 29 39 21 53.8 0.9 .
1 31 MET 6 22 40 12 30.0 -0.5 .
1 32 VAL 5 37 65 26 40.0 0.1 .
1 33 TYR 6 27 42 19 45.2 0.4 .
1 34 ASP 4 22 35 14 40.0 0.1 .
1 35 ALA 3 30 37 21 56.8 1.1 >sigma
1 36 CYS 4 17 26 14 53.8 0.9 .
1 37 ARG 7 21 31 14 45.2 0.4 .
1 38 MET 6 17 35 12 34.3 -0.3 .
1 39 ILE 6 23 52 18 34.6 -0.3 .
1 40 ARG 7 15 33 10 30.3 -0.5 .
1 41 GLU 5 13 19 6 31.6 -0.4 .
1 42 ARG 7 11 37 7 18.9 -1.2 >sigma
1 43 ILE 6 13 52 7 13.5 -1.5 >sigma
1 44 PRO 5 13 41 10 24.4 -0.9 .
1 45 GLU 5 5 28 4 14.3 -1.5 >sigma
1 46 ALA 3 10 28 7 25.0 -0.8 .
1 47 LEU 7 10 29 3 10.3 -1.7 >sigma
1 48 ALA 3 8 8 5 62.5 1.4 >sigma
1 49 GLY 3 9 9 6 66.7 1.7 >sigma
1 50 PRO 5 8 24 6 25.0 -0.8 .
1 51 PRO 5 6 23 6 26.1 -0.8 .
1 52 ASN 6 11 22 9 40.9 0.1 .
1 53 ASP 4 15 25 12 48.0 0.5 .
1 54 PHE 7 21 24 12 50.0 0.7 .
1 55 GLY 3 19 22 11 50.0 0.7 .
1 56 LEU 7 27 53 17 32.1 -0.4 .
1 57 PHE 7 25 51 12 23.5 -0.9 .
1 58 LEU 7 36 61 21 34.4 -0.3 .
1 59 SER 4 18 26 9 34.6 -0.3 .
1 60 ASP 4 30 28 20 71.4 1.9 >sigma
1 61 ASP 4 10 14 9 64.3 1.5 >sigma
1 62 ASP 4 22 36 17 47.2 0.5 .
1 63 PRO 5 15 18 9 50.0 0.7 .
1 64 LYS 7 15 23 9 39.1 0.0 .
1 65 LYS 7 31 43 24 55.8 1.0 >sigma
1 66 GLY 3 27 31 18 58.1 1.1 >sigma
1 67 ILE 6 33 42 16 38.1 -0.1 .
1 68 TRP 10 14 19 7 36.8 -0.1 .
1 69 LEU 7 30 55 17 30.9 -0.5 .
1 70 GLU 5 19 32 13 40.6 0.1 .
1 71 ALA 3 30 35 24 68.6 1.8 >sigma
1 72 GLY 3 11 21 7 33.3 -0.3 .
1 73 LYS 7 24 52 18 34.6 -0.3 .
1 74 ALA 3 23 29 17 58.6 1.2 >sigma
1 75 LEU 7 46 60 30 50.0 0.7 .
1 76 ASP 4 25 24 14 58.3 1.2 >sigma
1 77 TYR 6 19 36 10 27.8 -0.7 .
1 78 TYR 6 19 40 12 30.0 -0.5 .
1 79 MET 6 14 13 8 61.5 1.4 >sigma
1 80 LEU 7 26 62 15 24.2 -0.9 .
1 81 ARG 7 14 18 12 66.7 1.7 >sigma
1 82 ASN 6 22 30 18 60.0 1.3 >sigma
1 83 GLY 3 15 25 12 48.0 0.5 .
1 84 ASP 4 10 26 8 30.8 -0.5 .
1 85 THR 4 15 24 10 41.7 0.2 .
1 86 MET 6 23 65 19 29.2 -0.6 .
1 87 GLU 5 26 29 13 44.8 0.3 .
1 88 TYR 6 17 30 7 23.3 -0.9 .
1 89 ARG 7 16 26 7 26.9 -0.7 .
1 90 LYS 7 19 22 11 50.0 0.7 .
1 91 LYS 7 28 36 20 55.6 1.0 .
1 92 GLN 7 13 18 12 66.7 1.7 >sigma
1 93 ARG 7 4 7 4 57.1 1.1 >sigma
2 2 MET 6 15 15 7 46.7 0.5 .
2 3 ARG 7 22 27 11 40.7 0.1 .
2 4 GLU 5 20 25 8 32.0 -0.4 .
2 5 TYR 6 15 28 5 17.9 -1.3 >sigma
2 6 LYS 7 10 23 4 17.4 -1.3 >sigma
2 7 LEU 7 25 58 13 22.4 -1.0 .
2 8 VAL 5 20 46 14 30.4 -0.5 .
2 9 VAL 5 18 37 7 18.9 -1.2 >sigma
2 10 LEU 7 16 49 9 18.4 -1.2 >sigma
2 11 GLY 3 13 20 8 40.0 0.1 .
2 12 SER 4 22 29 14 48.3 0.6 .
2 13 VAL 5 20 20 9 45.0 0.4 .
2 14 GLY 3 8 8 2 25.0 -0.8 .
2 15 VAL 5 19 46 11 23.9 -0.9 .
2 16 GLY 3 16 17 7 41.2 0.1 .
2 17 LYS 7 18 30 11 36.7 -0.1 .
2 18 SER 4 14 25 7 28.0 -0.7 .
2 19 ALA 3 19 21 9 42.9 0.2 .
2 20 LEU 7 27 59 17 28.8 -0.6 .
2 21 THR 4 14 31 6 19.4 -1.2 >sigma
2 22 VAL 5 0 47 0 0.0 -2.3 >sigma
2 23 GLN 7 4 39 4 10.3 -1.7 >sigma
2 24 PHE 7 11 39 7 17.9 -1.3 >sigma
2 25 VAL 5 30 53 16 30.2 -0.5 .
2 26 GLN 7 22 52 15 28.8 -0.6 .
2 27 GLY 3 18 16 10 62.5 1.4 >sigma
2 28 ILE 6 31 53 20 37.7 -0.1 .
2 29 PHE 7 11 26 6 23.1 -1.0 .
2 30 VAL 5 25 40 13 32.5 -0.4 .
2 31 GLU 5 10 11 7 63.6 1.5 >sigma
2 32 LYS 7 20 36 7 19.4 -1.2 >sigma
2 33 TYR 6 12 7 4 57.1 1.1 >sigma
2 34 ASP 4 13 16 5 31.3 -0.5 .
2 35 PRO 5 9 29 5 17.2 -1.3 >sigma
2 36 THR 4 10 19 5 26.3 -0.8 .
2 37 ILE 6 34 56 18 32.1 -0.4 .
2 38 GLU 5 10 21 5 23.8 -0.9 .
2 39 ASP 4 16 21 8 38.1 -0.1 .
2 40 SER 4 21 22 14 63.6 1.5 >sigma
2 41 TYR 6 21 47 11 23.4 -0.9 .
2 42 ARG 7 24 41 14 34.1 -0.3 .
2 43 LYS 7 19 41 11 26.8 -0.7 .
2 44 GLN 7 19 20 10 50.0 0.7 .
2 45 VAL 5 27 29 15 51.7 0.8 .
2 46 GLU 5 25 25 15 60.0 1.3 >sigma
2 47 VAL 5 44 44 20 45.5 0.4 .
2 48 ASP 4 23 17 9 52.9 0.8 .
2 49 ALA 3 26 14 13 92.9 3.2 >sigma
2 50 GLN 7 29 28 15 53.6 0.9 .
2 51 GLN 7 16 17 8 47.1 0.5 .
2 52 CYS 4 38 27 17 63.0 1.4 >sigma
2 53 MET 6 15 30 11 36.7 -0.1 .
2 54 LEU 7 10 35 2 5.7 -2.0 >sigma
2 55 GLU 5 9 14 2 14.3 -1.5 >sigma
2 56 ILE 6 29 48 16 33.3 -0.3 .
2 57 LEU 7 27 38 16 42.1 0.2 .
2 58 ASP 4 15 24 8 33.3 -0.3 .
2 59 THR 4 10 21 4 19.0 -1.2 >sigma
2 60 ALA 3 7 18 3 16.7 -1.3 >sigma
2 61 GLY 3 14 10 8 80.0 2.5 >sigma
2 62 THR 4 18 27 9 33.3 -0.3 .
2 63 GLU 5 15 18 8 44.4 0.3 .
2 64 GLN 7 23 43 15 34.9 -0.2 .
2 65 PHE 7 20 30 7 23.3 -0.9 .
2 66 THR 4 25 22 10 45.5 0.4 .
2 67 ALA 3 15 13 11 84.6 2.7 >sigma
2 68 MET 6 19 27 12 44.4 0.3 .
2 69 ARG 7 21 35 13 37.1 -0.1 .
2 70 ASP 4 21 19 14 73.7 2.1 >sigma
2 71 LEU 7 22 20 9 45.0 0.4 .
2 72 TYR 6 17 30 12 40.0 0.1 .
2 73 MET 6 18 43 10 23.3 -0.9 .
2 74 LYS 7 14 32 9 28.1 -0.7 .
2 75 ASN 6 12 15 7 46.7 0.5 .
2 76 GLY 3 18 22 11 50.0 0.7 .
2 77 GLN 7 19 28 8 28.6 -0.6 .
2 78 GLY 3 21 27 12 44.4 0.3 .
2 79 PHE 7 23 58 9 15.5 -1.4 >sigma
2 80 ALA 3 15 31 9 29.0 -0.6 .
2 81 LEU 7 6 67 5 7.5 -1.9 >sigma
2 82 VAL 5 8 44 6 13.6 -1.5 >sigma
2 83 TYR 6 19 60 9 15.0 -1.4 >sigma
2 84 SER 4 22 25 15 60.0 1.3 >sigma
2 85 ILE 6 31 62 18 29.0 -0.6 .
2 86 THR 4 20 38 16 42.1 0.2 .
2 87 ALA 3 27 26 17 65.4 1.6 >sigma
2 88 GLN 7 23 35 15 42.9 0.2 .
2 89 SER 4 12 17 8 47.1 0.5 .
2 90 THR 4 38 36 19 52.8 0.8 .
2 91 PHE 7 25 58 13 22.4 -1.0 .
2 92 ASN 6 17 24 10 41.7 0.2 .
2 93 ASP 4 13 21 11 52.4 0.8 .
2 94 LEU 7 16 66 10 15.2 -1.4 >sigma
2 95 GLN 7 22 29 12 41.4 0.1 .
2 96 ASP 4 22 20 14 70.0 1.9 >sigma
2 97 LEU 7 24 44 12 27.3 -0.7 .
2 98 ARG 7 23 49 12 24.5 -0.9 .
2 99 GLU 5 16 25 9 36.0 -0.2 .
2 100 GLN 7 12 30 8 26.7 -0.7 .
2 101 ILE 6 40 67 23 34.3 -0.3 .
2 102 LEU 7 28 57 20 35.1 -0.2 .
2 103 ARG 7 12 21 9 42.9 0.2 .
2 104 VAL 5 16 43 11 25.6 -0.8 .
2 105 LYS 7 26 58 18 31.0 -0.5 .
2 106 ASP 4 17 13 10 76.9 2.3 >sigma
2 107 THR 4 25 25 16 64.0 1.5 >sigma
2 108 ASP 4 13 18 9 50.0 0.7 .
2 109 ASP 4 15 11 10 90.9 3.1 >sigma
2 110 VAL 5 24 42 12 28.6 -0.6 .
2 111 PRO 5 12 34 3 8.8 -1.8 >sigma
2 112 MET 6 29 42 8 19.0 -1.2 >sigma
2 113 ILE 6 25 60 14 23.3 -0.9 .
2 114 LEU 7 39 58 18 31.0 -0.5 .
2 115 VAL 5 25 50 15 30.0 -0.5 .
2 116 GLY 3 18 16 9 56.3 1.0 >sigma
2 117 ASN 6 20 49 14 28.6 -0.6 .
2 118 LYS 7 19 40 8 20.0 -1.1 >sigma
2 119 CYS 4 19 22 12 54.5 0.9 .
2 120 ASP 4 17 24 10 41.7 0.2 .
2 121 LEU 7 26 47 13 27.7 -0.7 .
2 122 GLU 5 20 34 12 35.3 -0.2 .
2 123 ASP 4 16 18 10 55.6 1.0 .
2 124 GLU 5 13 27 10 37.0 -0.1 .
2 125 ARG 7 27 39 12 30.8 -0.5 .
2 126 VAL 5 25 37 12 32.4 -0.4 .
2 127 VAL 5 42 65 24 36.9 -0.1 .
2 128 GLY 3 15 27 9 33.3 -0.3 .
2 129 LYS 7 9 32 5 15.6 -1.4 >sigma
2 130 GLU 5 14 26 9 34.6 -0.3 .
2 131 GLN 7 27 36 18 50.0 0.7 .
2 132 GLY 3 23 29 13 44.8 0.3 .
2 133 GLN 7 22 35 14 40.0 0.1 .
2 134 ASN 6 35 20 16 80.0 2.5 >sigma
2 135 LEU 7 57 59 26 44.1 0.3 .
2 136 ALA 3 32 45 23 51.1 0.7 .
2 137 ARG 7 24 30 15 50.0 0.7 .
2 138 GLN 7 30 25 15 60.0 1.3 >sigma
2 139 TRP 10 36 40 18 45.0 0.4 .
2 140 ASN 6 11 10 5 50.0 0.7 .
2 141 ASN 6 20 17 12 70.6 1.9 >sigma
2 142 CYS 4 30 24 15 62.5 1.4 >sigma
2 143 ALA 3 15 17 8 47.1 0.5 .
2 144 PHE 7 25 46 12 26.1 -0.8 .
2 145 LEU 7 26 48 13 27.1 -0.7 .
2 146 GLU 5 12 25 8 32.0 -0.4 .
2 147 SER 4 14 29 10 34.5 -0.3 .
2 148 SER 4 34 37 18 48.6 0.6 .
2 149 ALA 3 32 38 19 50.0 0.7 .
2 150 LYS 7 20 26 10 38.5 -0.0 .
2 151 SER 4 27 21 10 47.6 0.5 .
2 152 LYS 7 20 26 9 34.6 -0.3 .
2 153 ILE 6 29 31 16 51.6 0.8 .
2 154 ASN 6 21 38 9 23.7 -0.9 .
2 155 VAL 5 27 44 15 34.1 -0.3 .
2 156 ASN 6 16 19 12 63.2 1.4 >sigma
2 157 GLU 5 24 25 13 52.0 0.8 .
2 158 ILE 6 31 54 16 29.6 -0.6 .
2 159 PHE 7 22 32 16 50.0 0.7 .
2 160 TYR 6 22 28 12 42.9 0.2 .
2 161 ASP 4 16 27 11 40.7 0.1 .
2 162 LEU 7 26 53 16 30.2 -0.5 .
2 163 VAL 5 28 47 17 36.2 -0.2 .
2 164 ARG 7 12 21 10 47.6 0.5 .
2 165 GLN 7 16 33 9 27.3 -0.7 .
2 166 ILE 6 25 44 13 29.5 -0.6 .
2 167 ASN 6 17 21 10 47.6 0.5 .
2 168 ARG 7 10 11 4 36.4 -0.2 .
stop_
save_
Contact the webmaster for help, if required. Friday, May 3, 2024 1:49:11 PM GMT (wattos1)