NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450940 |
2rmk   |
11010 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2rmk
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 25
_NOE_completeness_stats.Residue_count 277
_NOE_completeness_stats.Total_atom_count 4414
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1524
_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 36.6
_NOE_completeness_stats.Constraint_unexpanded_count 3829
_NOE_completeness_stats.Constraint_count 4684
_NOE_completeness_stats.Constraint_exp_unfiltered_count 4342
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 87
_NOE_completeness_stats.Constraint_intraresidue_count 1528
_NOE_completeness_stats.Constraint_surplus_count 351
_NOE_completeness_stats.Constraint_observed_count 2718
_NOE_completeness_stats.Constraint_expected_count 4079
_NOE_completeness_stats.Constraint_matched_count 1491
_NOE_completeness_stats.Constraint_unmatched_count 1227
_NOE_completeness_stats.Constraint_exp_nonobs_count 2588
_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 936 1348 620 46.0 1.3 >sigma
medium-range 826 1020 363 35.6 0.1 .
long-range 867 1544 462 29.9 -0.5 .
intermolecular 89 167 46 27.5 -0.8 .
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 2.00 102 53 3 13 16 11 7 0 0 0 . 3 52.0 52.0
shell 2.00 2.50 405 240 7 39 75 59 47 11 2 0 . 0 59.3 57.8
shell 2.50 3.00 759 358 0 43 117 105 71 19 1 0 . 2 47.2 51.4
shell 3.00 3.50 1091 362 1 12 84 121 109 26 1 1 . 7 33.2 43.0
shell 3.50 4.00 1722 478 1 6 49 171 170 49 3 0 . 29 27.8 36.6
shell 4.00 4.50 2727 469 0 5 23 65 157 91 15 2 . 111 17.2 28.8
shell 4.50 5.00 3634 301 0 0 8 28 54 55 22 1 . 133 8.3 21.7
shell 5.00 5.50 4507 209 0 0 1 16 37 18 8 4 . 125 4.6 16.5
shell 5.50 6.00 5262 126 0 0 2 5 18 10 0 1 . 90 2.4 12.8
shell 6.00 6.50 5735 59 0 0 0 3 4 3 1 0 . 48 1.0 10.2
shell 6.50 7.00 6472 29 0 0 1 1 2 1 0 0 . 24 0.4 8.3
shell 7.00 7.50 7019 15 0 0 0 0 1 0 0 0 . 14 0.2 6.8
shell 7.50 8.00 7908 4 0 0 0 0 0 0 0 0 . 4 0.1 5.7
shell 8.00 8.50 8330 5 0 0 0 0 0 0 0 0 . 5 0.1 4.9
shell 8.50 9.00 8812 2 0 0 0 0 0 0 0 0 . 2 0.0 4.2
sums . . 64485 2710 12 118 376 585 677 283 53 9 . 597 . .
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 38 26 17 65.4 1.5 >sigma
1 2 GLN 7 42 35 21 60.0 1.2 >sigma
1 3 ALA 3 34 20 15 75.0 2.0 >sigma
1 4 ILE 6 47 50 19 38.0 0.1 .
1 5 LYS 7 17 43 8 18.6 -0.8 .
1 6 CYS 4 21 15 7 46.7 0.6 .
1 7 VAL 5 16 39 9 23.1 -0.6 .
1 8 VAL 5 20 48 13 27.1 -0.4 .
1 9 VAL 5 13 30 7 23.3 -0.6 .
1 10 GLY 3 2 20 1 5.0 -1.5 >sigma
1 11 ASP 4 6 19 5 26.3 -0.5 .
1 12 GLY 3 2 10 2 20.0 -0.8 .
1 13 ALA 3 0 8 0 0.0 -1.8 >sigma
1 14 VAL 5 1 17 0 0.0 -1.8 >sigma
1 15 GLY 3 3 15 2 13.3 -1.1 >sigma
1 16 LYS 7 2 36 2 5.6 -1.5 >sigma
1 17 THR 4 10 24 6 25.0 -0.5 .
1 18 CYS 4 3 20 2 10.0 -1.3 >sigma
1 19 LEU 7 31 50 20 40.0 0.2 .
1 20 LEU 7 19 59 9 15.3 -1.0 >sigma
1 21 ILE 6 12 43 10 23.3 -0.6 .
1 22 SER 4 23 35 13 37.1 0.1 .
1 23 TYR 6 30 57 18 31.6 -0.2 .
1 24 THR 4 12 20 8 40.0 0.2 .
1 25 THR 4 20 20 12 60.0 1.2 >sigma
1 26 ASN 6 16 17 8 47.1 0.6 .
1 27 ALA 3 17 16 12 75.0 2.0 >sigma
1 28 PHE 7 12 33 7 21.2 -0.7 .
1 29 PRO 5 4 16 3 18.8 -0.8 .
1 30 GLY 3 0 9 0 0.0 -1.8 >sigma
1 31 GLU 5 5 14 3 21.4 -0.7 .
1 32 TYR 6 3 13 1 7.7 -1.4 >sigma
1 33 ILE 6 9 21 7 33.3 -0.1 .
1 34 PRO 5 3 11 3 27.3 -0.4 .
1 35 THR 4 0 9 0 0.0 -1.8 >sigma
1 36 VAL 5 13 28 7 25.0 -0.5 .
1 37 PHE 7 1 13 1 7.7 -1.4 >sigma
1 38 ASP 4 0 8 0 0.0 -1.8 >sigma
1 39 ASN 6 0 7 0 0.0 -1.8 >sigma
1 40 TYR 6 8 20 5 25.0 -0.5 .
1 41 SER 4 8 17 7 41.2 0.3 .
1 42 ALA 3 17 23 13 56.5 1.1 >sigma
1 43 ASN 6 25 19 10 52.6 0.9 .
1 44 VAL 5 36 39 11 28.2 -0.4 .
1 45 MET 6 29 25 16 64.0 1.4 >sigma
1 46 VAL 5 32 35 14 40.0 0.2 .
1 47 ASP 4 16 10 6 60.0 1.2 >sigma
1 48 GLY 3 16 12 11 91.7 2.8 >sigma
1 49 LYS 7 22 16 9 56.3 1.0 >sigma
1 50 PRO 5 10 18 5 27.8 -0.4 .
1 51 VAL 5 45 53 15 28.3 -0.4 .
1 52 ASN 6 57 39 28 71.8 1.8 >sigma
1 53 LEU 7 38 52 19 36.5 0.1 .
1 54 GLY 3 10 16 6 37.5 0.1 .
1 55 LEU 7 21 48 10 20.8 -0.7 .
1 56 TRP 10 8 35 6 17.1 -0.9 .
1 57 ASP 4 1 14 1 7.1 -1.4 >sigma
1 58 THR 4 2 14 0 0.0 -1.8 >sigma
1 59 ALA 3 0 10 0 0.0 -1.8 >sigma
1 60 GLY 3 0 10 0 0.0 -1.8 >sigma
1 61 LEU 7 20 28 13 46.4 0.6 .
1 62 GLU 5 13 11 8 72.7 1.9 >sigma
1 63 ASP 4 10 18 6 33.3 -0.1 .
1 64 TYR 6 19 47 12 25.5 -0.5 .
1 65 ASP 4 1 8 0 0.0 -1.8 >sigma
1 66 ARG 7 3 18 1 5.6 -1.5 >sigma
1 67 LEU 7 25 57 15 26.3 -0.5 .
1 68 ARG 7 0 11 0 0.0 -1.8 >sigma
1 69 PRO 5 0 19 0 0.0 -1.8 >sigma
1 70 LEU 7 32 51 22 43.1 0.4 .
1 71 SER 4 8 21 6 28.6 -0.3 .
1 72 TYR 6 10 41 6 14.6 -1.0 >sigma
1 73 PRO 5 0 21 0 0.0 -1.8 >sigma
1 74 GLN 7 7 33 4 12.1 -1.2 >sigma
1 75 THR 4 14 31 10 32.3 -0.2 .
1 76 ASP 4 11 31 7 22.6 -0.6 .
1 77 VAL 5 35 53 19 35.8 0.0 .
1 78 PHE 7 15 41 10 24.4 -0.6 .
1 79 LEU 7 32 50 19 38.0 0.1 .
1 80 ILE 6 21 43 7 16.3 -1.0 .
1 81 CYS 4 9 19 4 21.1 -0.7 .
1 82 PHE 7 19 58 8 13.8 -1.1 >sigma
1 83 SER 4 6 20 1 5.0 -1.5 >sigma
1 84 LEU 7 25 57 9 15.8 -1.0 .
1 85 VAL 5 30 57 20 35.1 -0.0 .
1 86 SER 4 17 25 5 20.0 -0.8 .
1 87 PRO 5 11 32 9 28.1 -0.4 .
1 88 ALA 3 9 20 4 20.0 -0.8 .
1 89 SER 4 5 25 2 8.0 -1.4 >sigma
1 90 PHE 7 21 61 12 19.7 -0.8 .
1 91 GLU 5 20 15 9 60.0 1.2 >sigma
1 92 ASN 6 22 32 11 34.4 -0.1 .
1 93 VAL 5 30 53 17 32.1 -0.2 .
1 94 ARG 7 29 34 17 50.0 0.7 .
1 95 ALA 3 22 20 8 40.0 0.2 .
1 96 LYS 7 10 20 6 30.0 -0.3 .
1 97 TRP 10 14 43 8 18.6 -0.8 .
1 98 TYR 6 22 32 14 43.8 0.4 .
1 99 PRO 5 7 22 5 22.7 -0.6 .
1 100 GLU 5 13 20 7 35.0 -0.0 .
1 101 VAL 5 16 30 9 30.0 -0.3 .
1 102 ARG 7 15 26 11 42.3 0.3 .
1 103 HIS 6 12 15 8 53.3 0.9 .
1 104 HIS 6 9 13 7 53.8 0.9 .
1 105 CYS 4 8 11 7 63.6 1.4 >sigma
1 106 PRO 5 1 17 1 5.9 -1.5 >sigma
1 107 ASN 6 3 14 3 21.4 -0.7 .
1 108 THR 4 8 29 6 20.7 -0.7 .
1 109 PRO 5 24 41 18 43.9 0.4 .
1 110 ILE 6 33 47 21 44.7 0.5 .
1 111 ILE 6 58 75 41 54.7 1.0 .
1 112 LEU 7 38 68 19 27.9 -0.4 .
1 113 VAL 5 37 52 17 32.7 -0.1 .
1 114 GLY 3 5 22 4 18.2 -0.9 .
1 115 THR 4 11 28 6 21.4 -0.7 .
1 116 LYS 7 3 33 2 6.1 -1.5 >sigma
1 117 LEU 7 32 60 20 33.3 -0.1 .
1 118 ASP 4 15 23 7 30.4 -0.2 .
1 119 LEU 7 25 43 8 18.6 -0.8 .
1 120 ARG 7 22 71 16 22.5 -0.6 .
1 121 ASP 4 19 14 9 64.3 1.5 >sigma
1 122 ASP 4 28 18 6 33.3 -0.1 .
1 123 LYS 7 27 25 15 60.0 1.2 >sigma
1 124 ASP 4 19 14 10 71.4 1.8 >sigma
1 125 THR 4 35 38 18 47.4 0.6 .
1 126 ILE 6 47 60 27 45.0 0.5 .
1 127 GLU 5 27 25 13 52.0 0.8 .
1 128 LYS 7 30 27 13 48.1 0.6 .
1 129 LEU 7 33 65 18 27.7 -0.4 .
1 130 LYS 7 30 35 14 40.0 0.2 .
1 131 GLU 5 30 27 22 81.5 2.3 >sigma
1 132 LYS 7 36 41 20 48.8 0.7 .
1 133 LYS 7 16 11 8 72.7 1.9 >sigma
1 134 LEU 7 32 51 19 37.3 0.1 .
1 135 THR 4 20 20 9 45.0 0.5 .
1 136 PRO 5 19 47 13 27.7 -0.4 .
1 137 ILE 6 35 58 21 36.2 0.0 .
1 138 THR 4 20 28 15 53.6 0.9 .
1 139 TYR 6 15 25 9 36.0 0.0 .
1 140 PRO 5 11 22 8 36.4 0.0 .
1 141 GLN 7 24 36 18 50.0 0.7 .
1 142 GLY 3 21 26 9 34.6 -0.0 .
1 143 LEU 7 29 40 21 52.5 0.9 .
1 144 ALA 3 21 20 12 60.0 1.2 >sigma
1 145 MET 6 27 39 15 38.5 0.2 .
1 146 ALA 3 27 31 14 45.2 0.5 .
1 147 LYS 7 14 23 7 30.4 -0.2 .
1 148 GLU 5 19 20 9 45.0 0.5 .
1 149 ILE 6 34 54 25 46.3 0.5 .
1 150 GLY 3 10 10 5 50.0 0.7 .
1 151 ALA 3 28 33 17 51.5 0.8 .
1 152 VAL 5 58 46 32 69.6 1.7 >sigma
1 153 LYS 7 46 71 26 36.6 0.1 .
1 154 TYR 6 16 55 11 20.0 -0.8 .
1 155 LEU 7 45 64 26 40.6 0.3 .
1 156 GLU 5 16 30 11 36.7 0.1 .
1 157 CYS 4 21 37 13 35.1 -0.0 .
1 158 SER 4 31 50 17 34.0 -0.1 .
1 159 ALA 3 29 30 18 60.0 1.2 >sigma
1 160 LEU 7 20 28 7 25.0 -0.5 .
1 161 THR 4 21 25 9 36.0 0.0 .
1 162 GLN 7 32 35 15 42.9 0.4 .
1 163 ARG 7 29 41 12 29.3 -0.3 .
1 164 GLY 3 4 22 4 18.2 -0.9 .
1 165 LEU 7 63 63 27 42.9 0.4 .
1 166 LYS 7 25 28 13 46.4 0.6 .
1 167 THR 4 35 34 20 58.8 1.2 >sigma
1 168 VAL 5 44 59 24 40.7 0.3 .
1 169 PHE 7 45 60 21 35.0 -0.0 .
1 170 ASP 4 15 22 8 36.4 0.0 .
1 171 GLU 5 27 40 11 27.5 -0.4 .
1 172 ALA 3 38 34 21 61.8 1.3 >sigma
1 173 ILE 6 45 68 15 22.1 -0.7 .
1 174 ARG 7 26 27 11 40.7 0.3 .
1 175 ALA 3 48 35 24 68.6 1.7 >sigma
1 176 VAL 5 32 41 14 34.1 -0.1 .
1 177 LEU 7 31 44 17 38.6 0.2 .
1 178 CYS 4 14 14 8 57.1 1.1 >sigma
1 179 PRO 5 10 25 6 24.0 -0.6 .
1 180 PRO 5 11 17 8 47.1 0.6 .
1 181 PRO 5 19 8 6 75.0 2.0 >sigma
1 182 VAL 5 20 30 8 26.7 -0.4 .
1 183 LYS 7 6 11 3 27.3 -0.4 .
1 184 LYS 7 1 10 1 10.0 -1.3 >sigma
1 185 ARG 7 3 10 1 10.0 -1.3 >sigma
1 186 LYS 7 0 11 0 0.0 -1.8 >sigma
1 187 ARG 7 8 30 4 13.3 -1.1 >sigma
1 188 LYS 7 7 19 5 26.3 -0.5 .
1 189 CYS 4 0 9 0 0.0 -1.8 >sigma
1 190 LEU 7 0 9 0 0.0 -1.8 >sigma
1 191 LEU 7 4 9 3 33.3 -0.1 .
1 192 LEU 7 9 4 3 75.0 2.0 >sigma
2 1 GLY 3 0 2 0 0.0 -1.8 >sigma
2 2 ILE 6 11 18 9 50.0 0.7 .
2 3 PRO 5 7 17 6 35.3 -0.0 .
2 4 ALA 3 2 11 1 9.1 -1.3 >sigma
2 5 THR 4 1 15 0 0.0 -1.8 >sigma
2 6 ASN 6 4 15 3 20.0 -0.8 .
2 7 LEU 7 2 10 1 10.0 -1.3 >sigma
2 8 SER 4 6 11 3 27.3 -0.4 .
2 9 ARG 7 11 34 4 11.8 -1.2 >sigma
2 10 VAL 5 31 44 15 34.1 -0.1 .
2 11 ALA 3 25 19 14 73.7 1.9 >sigma
2 12 GLY 3 15 16 9 56.3 1.0 >sigma
2 13 LEU 7 41 58 24 41.4 0.3 .
2 14 GLU 5 29 24 17 70.8 1.8 >sigma
2 15 LYS 7 38 29 14 48.3 0.6 .
2 16 GLN 7 34 35 19 54.3 0.9 .
2 17 LEU 7 32 51 19 37.3 0.1 .
2 18 ALA 3 28 26 14 53.8 0.9 .
2 19 ILE 6 44 42 24 57.1 1.1 >sigma
2 20 GLU 5 23 41 14 34.1 -0.1 .
2 21 LEU 7 25 41 14 34.1 -0.1 .
2 22 LYS 7 24 31 13 41.9 0.3 .
2 23 VAL 5 36 46 16 34.8 -0.0 .
2 24 LYS 7 44 63 27 42.9 0.4 .
2 25 GLN 7 21 21 9 42.9 0.4 .
2 26 GLY 3 14 17 7 41.2 0.3 .
2 27 ALA 3 27 41 18 43.9 0.4 .
2 28 GLU 5 29 31 20 64.5 1.5 >sigma
2 29 ASN 6 18 16 11 68.8 1.7 >sigma
2 30 MET 6 19 38 12 31.6 -0.2 .
2 31 ILE 6 41 67 29 43.3 0.4 .
2 32 GLN 7 21 25 17 68.0 1.6 >sigma
2 33 THR 4 12 19 9 47.4 0.6 .
2 34 TYR 6 29 49 17 34.7 -0.0 .
2 35 SER 4 13 22 9 40.9 0.3 .
2 36 ASN 6 5 8 2 25.0 -0.5 .
2 37 GLY 3 0 5 0 0.0 -1.8 >sigma
2 38 SER 4 0 5 0 0.0 -1.8 >sigma
2 39 THR 4 3 13 2 15.4 -1.0 >sigma
2 40 LYS 7 2 7 1 14.3 -1.1 >sigma
2 41 ASP 4 2 18 1 5.6 -1.5 >sigma
2 42 ARG 7 8 16 4 25.0 -0.5 .
2 43 LYS 7 15 35 8 22.9 -0.6 .
2 44 LEU 7 24 57 12 21.1 -0.7 .
2 45 LEU 7 31 57 18 31.6 -0.2 .
2 46 LEU 7 39 42 21 50.0 0.7 .
2 47 THR 4 39 34 22 64.7 1.5 >sigma
2 48 ALA 3 41 40 21 52.5 0.9 .
2 49 GLN 7 37 39 22 56.4 1.1 >sigma
2 50 GLN 7 31 34 18 52.9 0.9 .
2 51 MET 6 48 52 28 53.8 0.9 .
2 52 LEU 7 46 63 26 41.3 0.3 .
2 53 GLN 7 24 24 13 54.2 0.9 .
2 54 ASP 4 24 16 10 62.5 1.4 >sigma
2 55 SER 4 27 30 15 50.0 0.7 .
2 56 LYS 7 24 41 13 31.7 -0.2 .
2 57 THR 4 22 21 15 71.4 1.8 >sigma
2 58 LYS 7 37 30 13 43.3 0.4 .
2 59 ILE 6 33 63 18 28.6 -0.3 .
2 60 ASP 4 25 21 15 71.4 1.8 >sigma
2 61 ILE 6 44 38 23 60.5 1.3 >sigma
2 62 ILE 6 50 61 31 50.8 0.8 .
2 63 ARG 7 27 33 15 45.5 0.5 .
2 64 MET 6 52 31 22 71.0 1.8 >sigma
2 65 GLN 7 46 36 24 66.7 1.6 >sigma
2 66 LEU 7 41 51 20 39.2 0.2 .
2 67 ARG 7 22 25 12 48.0 0.6 .
2 68 ARG 7 25 26 14 53.8 0.9 .
2 69 ALA 3 28 31 17 54.8 1.0 .
2 70 LEU 7 23 34 16 47.1 0.6 .
2 71 GLN 7 20 24 14 58.3 1.2 >sigma
2 72 ALA 3 12 19 9 47.4 0.6 .
2 73 ASP 4 14 18 9 50.0 0.7 .
2 74 GLN 7 10 14 7 50.0 0.7 .
2 75 LEU 7 18 36 15 41.7 0.3 .
2 76 GLU 5 7 11 4 36.4 0.0 .
2 77 ASN 6 5 11 2 18.2 -0.9 .
2 78 GLN 7 6 20 4 20.0 -0.8 .
2 79 ALA 3 2 8 1 12.5 -1.1 >sigma
2 80 ALA 3 2 8 2 25.0 -0.5 .
2 81 PRO 5 1 4 1 25.0 -0.5 .
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 9:45:17 AM GMT (wattos1)