NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
517720 |
2l7b   |
15744 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2l7b
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 307
_NOE_completeness_stats.Total_atom_count 4792
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1712
_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 20.1
_NOE_completeness_stats.Constraint_unexpanded_count 3833
_NOE_completeness_stats.Constraint_count 3833
_NOE_completeness_stats.Constraint_exp_unfiltered_count 4245
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 455
_NOE_completeness_stats.Constraint_intraresidue_count 346
_NOE_completeness_stats.Constraint_surplus_count 92
_NOE_completeness_stats.Constraint_observed_count 2940
_NOE_completeness_stats.Constraint_expected_count 4204
_NOE_completeness_stats.Constraint_matched_count 846
_NOE_completeness_stats.Constraint_unmatched_count 2094
_NOE_completeness_stats.Constraint_exp_nonobs_count 3358
_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 825 1565 530 33.9 0.8 .
medium-range 1543 1170 275 23.5 0.2 .
long-range 572 1469 41 2.8 -1.0 .
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 23 8 2 0 0 2 0 3 0 1 . 0 34.8 34.8
shell 2.00 2.50 266 87 0 18 2 16 3 27 1 11 . 9 32.7 32.9
shell 2.50 3.00 806 252 0 48 8 49 5 103 1 26 . 12 31.3 31.7
shell 3.00 3.50 1091 157 0 0 5 26 4 68 1 30 . 23 14.4 23.1
shell 3.50 4.00 2018 342 0 0 0 25 38 160 11 72 . 36 16.9 20.1
shell 4.00 4.50 3053 421 0 0 0 0 30 171 46 107 . 67 13.8 17.5
shell 4.50 5.00 4460 455 0 0 0 0 0 58 113 173 . 111 10.2 14.7
shell 5.00 5.50 5586 435 0 0 0 0 0 2 60 201 . 172 7.8 12.5
shell 5.50 6.00 6710 316 0 0 0 0 0 0 10 103 . 203 4.7 10.3
shell 6.00 6.50 7318 161 0 0 0 0 0 0 0 7 . 154 2.2 8.4
shell 6.50 7.00 7973 105 0 0 0 0 0 0 0 0 . 105 1.3 7.0
shell 7.00 7.50 8895 65 0 0 0 0 0 0 0 0 . 65 0.7 5.8
shell 7.50 8.00 9861 65 0 0 0 0 0 0 0 0 . 65 0.7 4.9
shell 8.00 8.50 11032 32 0 0 0 0 0 0 0 0 . 32 0.3 4.2
shell 8.50 9.00 11790 22 0 0 0 0 0 0 0 0 . 22 0.2 3.6
sums . . 80882 2923 2 66 15 118 80 592 243 731 . 1,076 . .
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 LYS 7 0 12 0 0.0 -1.8 >sigma
1 10 VAL 5 3 13 1 7.7 -1.2 >sigma
1 11 GLU 5 14 17 3 17.6 -0.3 .
1 12 GLN 7 12 32 3 9.4 -1.0 >sigma
1 13 ALA 3 9 25 4 16.0 -0.5 .
1 14 VAL 5 16 22 8 36.4 1.2 >sigma
1 15 GLU 5 19 29 7 24.1 0.2 .
1 16 THR 4 13 30 6 20.0 -0.1 .
1 17 GLU 5 19 19 8 42.1 1.7 >sigma
1 18 PRO 5 8 22 5 22.7 0.1 .
1 19 GLU 5 22 21 8 38.1 1.3 >sigma
1 20 PRO 5 6 13 4 30.8 0.7 .
1 21 GLU 5 23 18 7 38.9 1.4 >sigma
1 22 LEU 7 22 42 8 19.0 -0.2 .
1 23 ARG 7 23 24 9 37.5 1.3 >sigma
1 24 GLN 7 19 20 5 25.0 0.3 .
1 25 GLN 7 25 25 8 32.0 0.8 .
1 26 THR 4 16 28 8 28.6 0.6 .
1 27 GLU 5 18 21 8 38.1 1.3 >sigma
1 28 TRP 10 12 13 5 38.5 1.4 >sigma
1 29 GLN 7 15 19 3 15.8 -0.5 .
1 30 SER 4 7 30 5 16.7 -0.4 .
1 31 GLY 3 7 11 2 18.2 -0.3 .
1 32 GLN 7 11 21 5 23.8 0.2 .
1 33 ARG 7 16 15 6 40.0 1.5 >sigma
1 34 TRP 10 10 43 4 9.3 -1.0 >sigma
1 35 GLU 5 8 41 3 7.3 -1.2 >sigma
1 36 LEU 7 28 22 6 27.3 0.5 .
1 37 ALA 3 26 33 8 24.2 0.2 .
1 38 LEU 7 33 45 7 15.6 -0.5 .
1 39 GLY 3 18 19 7 36.8 1.2 >sigma
1 40 ARG 7 24 29 5 17.2 -0.4 .
1 41 PHE 7 26 61 8 13.1 -0.7 .
1 42 TRP 10 12 18 5 27.8 0.5 .
1 43 ASP 4 11 17 5 29.4 0.6 .
1 44 TYR 6 18 35 6 17.1 -0.4 .
1 45 LEU 7 30 57 9 15.8 -0.5 .
1 46 ARG 7 24 24 6 25.0 0.3 .
1 47 TRP 10 14 26 5 19.2 -0.2 .
1 48 VAL 5 22 38 2 5.3 -1.4 >sigma
1 49 GLN 7 2 24 0 0.0 -1.8 >sigma
1 50 THR 4 2 17 1 5.9 -1.3 >sigma
1 51 LEU 7 21 23 3 13.0 -0.7 .
1 52 SER 4 4 20 0 0.0 -1.8 >sigma
1 53 GLU 5 12 17 5 29.4 0.6 .
1 54 GLN 7 21 40 6 15.0 -0.6 .
1 55 VAL 5 24 35 7 20.0 -0.1 .
1 56 GLN 7 25 26 7 26.9 0.4 .
1 57 GLU 5 24 33 8 24.2 0.2 .
1 58 GLU 5 30 24 8 33.3 1.0 .
1 59 LEU 7 31 42 9 21.4 -0.0 .
1 60 LEU 7 22 19 3 15.8 -0.5 .
1 61 SER 4 13 15 3 20.0 -0.1 .
1 62 SER 4 6 20 0 0.0 -1.8 >sigma
1 63 GLN 7 17 23 5 21.7 0.0 .
1 64 VAL 5 23 45 7 15.6 -0.5 .
1 65 THR 4 26 48 10 20.8 -0.1 .
1 66 GLN 7 26 35 5 14.3 -0.6 .
1 67 GLU 5 25 29 6 20.7 -0.1 .
1 68 LEU 7 37 58 7 12.1 -0.8 .
1 69 ARG 7 26 55 9 16.4 -0.4 .
1 70 ALA 3 24 22 7 31.8 0.8 .
1 71 LEU 7 29 42 5 11.9 -0.8 .
1 72 MET 6 17 43 4 9.3 -1.0 >sigma
1 73 ASP 4 19 17 5 29.4 0.6 .
1 74 GLU 5 29 26 7 26.9 0.4 .
1 75 THR 4 23 33 8 24.2 0.2 .
1 76 MET 6 25 40 11 27.5 0.5 .
1 77 LYS 7 28 31 10 32.3 0.9 .
1 78 GLU 5 31 34 8 23.5 0.1 .
1 79 LEU 7 26 35 8 22.9 0.1 .
1 80 LYS 7 31 29 11 37.9 1.3 >sigma
1 81 ALA 3 21 21 9 42.9 1.7 >sigma
1 82 TYR 6 18 22 6 27.3 0.5 .
1 83 LYS 7 28 35 8 22.9 0.1 .
1 84 SER 4 26 18 8 44.4 1.9 >sigma
1 85 GLU 5 23 16 7 43.8 1.8 >sigma
1 86 LEU 7 29 31 7 22.6 0.1 .
1 87 GLU 5 18 27 6 22.2 0.0 .
1 88 GLU 5 17 17 6 35.3 1.1 >sigma
1 89 GLN 7 23 24 7 29.2 0.6 .
1 90 LEU 7 24 52 9 17.3 -0.4 .
1 91 THR 4 25 29 4 13.8 -0.7 .
1 92 PRO 5 9 14 1 7.1 -1.2 >sigma
1 93 VAL 5 26 31 8 25.8 0.3 .
1 94 ALA 3 26 36 8 22.2 0.0 .
1 95 GLU 5 10 21 4 19.0 -0.2 .
1 96 GLU 5 14 18 5 27.8 0.5 .
1 97 THR 4 27 37 9 24.3 0.2 .
1 98 ARG 7 43 48 11 22.9 0.1 .
1 99 ALA 3 27 21 8 38.1 1.3 >sigma
1 100 ARG 7 35 70 9 12.9 -0.7 .
1 101 LEU 7 35 55 10 18.2 -0.3 .
1 102 SER 4 29 27 10 37.0 1.3 >sigma
1 103 LYS 7 32 37 8 21.6 -0.0 .
1 104 GLU 5 41 37 9 24.3 0.2 .
1 105 LEU 7 44 38 7 18.4 -0.3 .
1 106 GLN 7 41 36 8 22.2 0.0 .
1 107 ALA 3 38 29 7 24.1 0.2 .
1 108 ALA 3 35 28 6 21.4 -0.0 .
1 109 GLN 7 33 35 11 31.4 0.8 .
1 110 ALA 3 30 21 9 42.9 1.7 >sigma
1 111 ARG 7 35 63 8 12.7 -0.7 .
1 112 LEU 7 33 44 11 25.0 0.3 .
1 113 GLY 3 25 22 8 36.4 1.2 >sigma
1 114 ALA 3 27 17 3 17.6 -0.3 .
1 115 ASP 4 20 33 5 15.2 -0.5 .
1 116 MET 6 47 46 12 26.1 0.4 .
1 117 GLU 5 24 21 8 38.1 1.3 >sigma
1 118 ASP 4 23 27 7 25.9 0.3 .
1 119 VAL 5 29 44 7 15.9 -0.5 .
1 120 CYS 4 18 23 3 13.0 -0.7 .
1 121 GLY 3 16 16 7 43.8 1.8 >sigma
1 122 ARG 7 24 46 6 13.0 -0.7 .
1 123 LEU 7 30 50 9 18.0 -0.3 .
1 124 VAL 5 21 29 7 24.1 0.2 .
1 125 GLN 7 31 36 9 25.0 0.3 .
1 126 TYR 6 20 49 7 14.3 -0.6 .
1 127 ARG 7 27 41 10 24.4 0.2 .
1 128 GLY 3 18 19 6 31.6 0.8 .
1 129 GLU 5 20 20 7 35.0 1.1 >sigma
1 130 VAL 5 27 43 10 23.3 0.1 .
1 131 GLN 7 28 28 11 39.3 1.4 >sigma
1 132 ALA 3 17 17 6 35.3 1.1 >sigma
1 133 MET 6 19 27 6 22.2 0.0 .
1 134 LEU 7 15 12 6 50.0 2.3 >sigma
1 135 GLY 3 5 7 2 28.6 0.6 .
1 136 GLN 7 12 22 3 13.6 -0.7 .
1 137 SER 4 9 16 3 18.8 -0.2 .
1 138 THR 4 5 24 1 4.2 -1.4 >sigma
1 139 GLU 5 23 28 7 25.0 0.3 .
1 140 GLU 5 24 39 9 23.1 0.1 .
1 141 LEU 7 40 57 9 15.8 -0.5 .
1 142 ARG 7 49 51 11 21.6 -0.0 .
1 143 VAL 5 51 59 15 25.4 0.3 .
1 144 ARG 7 40 74 12 16.2 -0.5 .
1 145 LEU 7 29 48 7 14.6 -0.6 .
1 146 ALA 3 27 28 8 28.6 0.6 .
1 147 SER 4 24 29 7 24.1 0.2 .
1 148 HIS 6 20 26 8 30.8 0.7 .
1 149 LEU 7 31 53 5 9.4 -1.0 >sigma
1 150 ARG 7 26 50 4 8.0 -1.1 >sigma
1 151 LYS 7 26 67 9 13.4 -0.7 .
1 152 LEU 7 36 60 12 20.0 -0.1 .
1 153 ARG 7 36 66 9 13.6 -0.7 .
1 154 LYS 7 33 70 9 12.9 -0.7 .
1 155 ARG 7 30 76 11 14.5 -0.6 .
1 156 LEU 7 37 42 6 14.3 -0.6 .
1 157 LEU 7 41 45 13 28.9 0.6 .
1 158 ARG 7 33 70 12 17.1 -0.4 .
1 159 ASP 4 21 23 7 30.4 0.7 .
1 160 ALA 3 19 20 3 15.0 -0.6 .
1 161 ASP 4 21 19 6 31.6 0.8 .
1 162 ASP 4 21 20 7 35.0 1.1 >sigma
1 163 LEU 7 32 37 7 18.9 -0.2 .
1 164 GLN 7 27 27 8 29.6 0.7 .
1 165 LYS 7 34 49 9 18.4 -0.3 .
1 166 ARG 7 37 58 10 17.2 -0.4 .
1 167 LEU 7 24 29 6 20.7 -0.1 .
1 168 ALA 3 25 21 8 38.1 1.3 >sigma
1 169 VAL 5 28 36 9 25.0 0.3 .
1 170 TYR 6 25 40 11 27.5 0.5 .
1 171 GLN 7 23 13 9 69.2 3.9 >sigma
1 172 ALA 3 24 18 8 44.4 1.9 >sigma
1 173 GLY 3 22 18 7 38.9 1.4 >sigma
1 174 ALA 3 24 33 8 24.2 0.2 .
1 175 ARG 7 18 20 4 20.0 -0.1 .
1 176 GLU 5 21 25 7 28.0 0.5 .
1 177 GLY 3 8 35 4 11.4 -0.8 .
1 178 ALA 3 29 23 5 21.7 0.0 .
1 179 GLU 5 14 13 6 46.2 2.0 >sigma
1 180 ARG 7 15 31 3 9.7 -1.0 .
1 181 GLY 3 4 23 1 4.3 -1.4 >sigma
1 182 LEU 7 23 20 3 15.0 -0.6 .
1 183 SER 4 6 22 1 4.5 -1.4 >sigma
1 184 ALA 3 12 24 4 16.7 -0.4 .
1 185 ILE 6 24 24 7 29.2 0.6 .
1 186 ARG 7 28 20 9 45.0 1.9 >sigma
1 187 GLU 5 29 16 7 43.8 1.8 >sigma
1 188 ARG 7 21 32 7 21.9 0.0 .
1 189 LEU 7 24 21 8 38.1 1.3 >sigma
1 190 GLY 3 8 10 5 50.0 2.3 >sigma
1 191 PRO 5 2 9 1 11.1 -0.9 .
1 192 LEU 7 13 13 2 15.4 -0.5 .
1 193 VAL 5 18 14 2 14.3 -0.6 .
1 194 GLU 5 9 17 2 11.8 -0.8 .
1 195 GLN 7 19 22 4 18.2 -0.3 .
1 196 GLY 3 4 10 1 10.0 -1.0 .
1 197 ARG 7 10 16 2 12.5 -0.8 .
1 198 VAL 5 16 18 2 11.1 -0.9 .
1 199 ARG 7 14 18 5 27.8 0.5 .
1 200 ALA 3 12 19 6 31.6 0.8 .
1 201 ALA 3 13 20 3 15.0 -0.6 .
1 202 THR 4 5 28 3 10.7 -0.9 .
1 203 VAL 5 11 21 2 9.5 -1.0 >sigma
1 204 GLY 3 1 15 1 6.7 -1.2 >sigma
1 205 SER 4 8 30 4 13.3 -0.7 .
1 206 LEU 7 8 21 2 9.5 -1.0 >sigma
1 207 ALA 3 11 16 2 12.5 -0.8 .
1 208 GLY 3 4 16 0 0.0 -1.8 >sigma
1 209 GLN 7 1 11 0 0.0 -1.8 >sigma
1 210 PRO 5 2 12 0 0.0 -1.8 >sigma
1 211 LEU 7 8 10 0 0.0 -1.8 >sigma
1 212 GLN 7 6 8 2 25.0 0.3 .
1 213 GLU 5 11 8 4 50.0 2.3 >sigma
1 214 ARG 7 8 14 3 21.4 -0.0 .
1 215 ALA 3 12 21 3 14.3 -0.6 .
1 216 GLN 7 11 16 4 25.0 0.3 .
1 217 ALA 3 13 19 2 10.5 -0.9 .
1 218 TRP 10 12 14 5 35.7 1.2 >sigma
1 219 GLY 3 6 9 2 22.2 0.0 .
1 220 GLU 5 11 13 4 30.8 0.7 .
1 221 ARG 7 23 57 6 10.5 -0.9 .
1 222 LEU 7 11 22 4 18.2 -0.3 .
1 223 ARG 7 14 13 6 46.2 2.0 >sigma
1 224 ALA 3 11 24 5 20.8 -0.1 .
1 225 ARG 7 31 36 10 27.8 0.5 .
1 226 MET 6 21 14 6 42.9 1.7 >sigma
1 227 GLU 5 13 18 4 22.2 0.0 .
1 228 GLU 5 17 25 5 20.0 -0.1 .
1 229 MET 6 24 24 5 20.8 -0.1 .
1 230 GLY 3 2 12 0 0.0 -1.8 >sigma
1 231 SER 4 10 11 3 27.3 0.5 .
1 232 ARG 7 10 7 3 42.9 1.7 >sigma
1 233 THR 4 10 21 3 14.3 -0.6 .
1 234 ARG 7 11 8 2 25.0 0.3 .
1 235 ASP 4 16 29 5 17.2 -0.4 .
1 236 ARG 7 14 25 3 12.0 -0.8 .
1 237 LEU 7 27 54 7 13.0 -0.7 .
1 238 ASP 4 25 18 5 27.8 0.5 .
1 239 GLU 5 17 25 8 32.0 0.8 .
1 240 VAL 5 27 39 7 17.9 -0.3 .
1 241 LYS 7 22 41 4 9.8 -1.0 .
1 242 GLU 5 18 37 5 13.5 -0.7 .
1 243 GLN 7 20 44 8 18.2 -0.3 .
1 244 VAL 5 21 22 4 18.2 -0.3 .
1 245 ALA 3 13 22 3 13.6 -0.7 .
1 246 GLU 5 24 43 6 14.0 -0.6 .
1 247 VAL 5 31 43 8 18.6 -0.3 .
1 248 ARG 7 17 20 5 25.0 0.3 .
1 249 ALA 3 18 15 4 26.7 0.4 .
1 250 LYS 7 33 55 4 7.3 -1.2 >sigma
1 251 LEU 7 29 44 5 11.4 -0.9 .
1 252 GLU 5 15 17 3 17.6 -0.3 .
1 253 GLU 5 26 29 6 20.7 -0.1 .
1 254 GLN 7 31 39 6 15.4 -0.5 .
1 255 ALA 3 22 16 5 31.3 0.8 .
1 256 GLN 7 23 24 6 25.0 0.3 .
1 257 GLN 7 21 48 8 16.7 -0.4 .
1 258 ILE 6 26 28 6 21.4 -0.0 .
1 259 ARG 7 27 43 9 20.9 -0.1 .
1 260 LEU 7 33 56 8 14.3 -0.6 .
1 261 GLN 7 23 26 7 26.9 0.4 .
1 262 ALA 3 19 18 6 33.3 1.0 .
1 263 GLU 5 23 29 6 20.7 -0.1 .
1 264 ALA 3 25 24 8 33.3 1.0 .
1 265 ALA 3 21 21 7 33.3 1.0 .
1 266 GLN 7 17 18 5 27.8 0.5 .
1 267 ALA 3 27 31 6 19.4 -0.2 .
1 268 ARG 7 21 60 7 11.7 -0.8 .
1 269 LEU 7 24 20 5 25.0 0.3 .
1 270 LYS 7 32 37 4 10.8 -0.9 .
1 271 SER 4 15 32 3 9.4 -1.0 >sigma
1 272 ARG 7 23 49 6 12.2 -0.8 .
1 273 PHE 7 18 24 9 37.5 1.3 >sigma
1 274 GLU 5 24 18 6 33.3 1.0 .
1 275 PRO 5 4 32 3 9.4 -1.0 >sigma
1 276 LEU 7 21 43 11 25.6 0.3 .
1 277 ALA 3 13 20 6 30.0 0.7 .
1 278 GLU 5 24 17 10 58.8 3.1 >sigma
1 279 ASP 4 24 34 11 32.4 0.9 .
1 280 MET 6 23 19 6 31.6 0.8 .
1 281 GLN 7 15 19 7 36.8 1.2 >sigma
1 282 ARG 7 17 44 2 4.5 -1.4 >sigma
1 283 GLN 7 14 56 6 10.7 -0.9 .
1 284 TRP 10 16 13 4 30.8 0.7 .
1 285 ALA 3 9 11 1 9.1 -1.0 >sigma
1 286 GLY 3 3 11 1 9.1 -1.0 >sigma
1 287 GLN 7 12 32 4 12.5 -0.8 .
1 288 VAL 5 22 52 7 13.5 -0.7 .
1 289 GLU 5 15 31 5 16.1 -0.5 .
1 290 LYS 7 11 6 2 33.3 1.0 .
1 291 VAL 5 10 7 5 71.4 4.1 >sigma
1 292 GLN 7 9 10 5 50.0 2.3 >sigma
1 293 ALA 3 2 7 1 14.3 -0.6 .
1 294 ALA 3 2 7 1 14.3 -0.6 .
1 295 GLU 5 4 29 1 3.4 -1.5 >sigma
1 296 GLY 3 3 13 0 0.0 -1.8 >sigma
1 297 THR 4 1 14 0 0.0 -1.8 >sigma
1 298 SER 4 3 18 0 0.0 -1.8 >sigma
1 299 ALA 3 10 28 2 7.1 -1.2 >sigma
1 300 ALA 3 2 8 0 0.0 -1.8 >sigma
1 301 PRO 5 4 23 1 4.3 -1.4 >sigma
1 302 VAL 5 15 29 3 10.3 -0.9 .
1 303 PRO 5 6 7 0 0.0 -1.8 >sigma
1 304 SER 4 2 10 0 0.0 -1.8 >sigma
1 305 ASP 4 9 13 3 23.1 0.1 .
1 306 ASN 6 3 7 1 14.3 -0.6 .
1 307 HIS 6 0 4 0 0.0 -1.8 >sigma
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 11:01:52 PM GMT (wattos1)