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 |
|
|
543981 |
2lqw   |
18333 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2lqw
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 303
_NOE_completeness_stats.Total_atom_count 4705
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1646
_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 32.0
_NOE_completeness_stats.Constraint_unexpanded_count 2978
_NOE_completeness_stats.Constraint_count 2992
_NOE_completeness_stats.Constraint_exp_unfiltered_count 3759
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 149
_NOE_completeness_stats.Constraint_intraresidue_count 297
_NOE_completeness_stats.Constraint_surplus_count 32
_NOE_completeness_stats.Constraint_observed_count 2514
_NOE_completeness_stats.Constraint_expected_count 3730
_NOE_completeness_stats.Constraint_matched_count 1193
_NOE_completeness_stats.Constraint_unmatched_count 1321
_NOE_completeness_stats.Constraint_exp_nonobs_count 2537
_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 931 1222 380 31.1 -1.0 >sigma
medium-range 391 519 169 32.6 0.6 .
long-range 1192 1989 644 32.4 0.4 .
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 62 24 0 5 4 4 3 6 1 1 . 0 38.7 38.7
shell 2.00 2.50 416 246 0 18 143 26 15 18 18 7 . 1 59.1 56.5
shell 2.50 3.00 648 258 0 3 44 62 42 44 42 20 . 1 39.8 46.9
shell 3.00 3.50 1001 291 0 0 6 41 79 64 68 33 . 0 29.1 38.5
shell 3.50 4.00 1603 374 0 0 0 9 62 121 116 64 . 2 23.3 32.0
shell 4.00 4.50 2418 655 0 0 0 0 5 119 399 131 . 1 27.1 30.1
shell 4.50 5.00 3518 518 0 0 0 0 0 16 219 282 . 1 14.7 24.5
shell 5.00 5.50 4513 134 0 0 0 0 0 0 21 113 . 0 3.0 17.6
shell 5.50 6.00 5068 14 0 0 0 0 0 0 0 14 . 0 0.3 13.1
shell 6.00 6.50 5816 0 0 0 0 0 0 0 0 0 . 0 0.0 10.0
shell 6.50 7.00 6337 0 0 0 0 0 0 0 0 0 . 0 0.0 8.0
shell 7.00 7.50 6895 0 0 0 0 0 0 0 0 0 . 0 0.0 6.6
shell 7.50 8.00 7646 0 0 0 0 0 0 0 0 0 . 0 0.0 5.5
shell 8.00 8.50 8114 0 0 0 0 0 0 0 0 0 . 0 0.0 4.7
shell 8.50 9.00 8611 0 0 0 0 0 0 0 0 0 . 0 0.0 4.0
sums . . 62666 2514 0 26 197 142 206 388 884 665 . 6 . .
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 -1.7 >sigma
1 2 SER 4 0 8 0 0.0 -1.7 >sigma
1 3 SER 4 0 10 0 0.0 -1.7 >sigma
1 4 ALA 3 13 28 8 28.6 0.0 .
1 5 ARG 7 7 10 4 40.0 0.7 .
1 6 PHE 7 11 49 6 12.2 -0.9 .
1 7 ASP 4 10 15 4 26.7 -0.1 .
1 8 SER 4 10 20 4 20.0 -0.5 .
1 9 SER 4 8 14 4 28.6 0.0 .
1 10 ASP 4 14 15 4 26.7 -0.1 .
1 11 ARG 7 23 30 7 23.3 -0.3 .
1 12 SER 4 9 12 3 25.0 -0.2 .
1 13 ALA 3 16 22 8 36.4 0.5 .
1 14 TRP 10 47 69 21 30.4 0.1 .
1 15 TYR 6 35 40 15 37.5 0.6 .
1 16 MET 6 26 45 14 31.1 0.2 .
1 17 GLY 3 15 16 9 56.3 1.7 >sigma
1 18 PRO 5 5 9 2 22.2 -0.4 .
1 19 VAL 5 21 56 8 14.3 -0.8 .
1 20 SER 4 16 20 8 40.0 0.7 .
1 21 ARG 7 22 28 11 39.3 0.7 .
1 22 GLN 7 10 12 2 16.7 -0.7 .
1 23 GLU 5 16 20 5 25.0 -0.2 .
1 24 ALA 3 26 35 13 37.1 0.5 .
1 25 GLN 7 20 21 9 42.9 0.9 .
1 26 THR 4 20 19 9 47.4 1.1 >sigma
1 27 ARG 7 16 35 10 28.6 0.0 .
1 28 LEU 7 22 62 11 17.7 -0.6 .
1 29 GLN 7 14 12 4 33.3 0.3 .
1 30 GLY 3 7 5 2 40.0 0.7 .
1 31 GLN 7 6 12 2 16.7 -0.7 .
1 32 ARG 7 5 21 3 14.3 -0.8 .
1 33 HIS 6 19 17 8 47.1 1.1 >sigma
1 34 GLY 3 19 22 11 50.0 1.3 >sigma
1 35 MET 6 19 44 8 18.2 -0.6 .
1 36 PHE 7 43 78 22 28.2 0.0 .
1 37 LEU 7 52 78 29 37.2 0.5 .
1 38 VAL 5 55 60 29 48.3 1.2 >sigma
1 39 ARG 7 39 87 22 25.3 -0.2 .
1 40 ASP 4 17 17 9 52.9 1.5 >sigma
1 41 SER 4 13 21 3 14.3 -0.8 .
1 42 SER 4 5 7 0 0.0 -1.7 >sigma
1 43 THR 4 6 11 4 36.4 0.5 .
1 44 CYS 4 8 12 3 25.0 -0.2 .
1 45 PRO 5 3 8 1 12.5 -0.9 .
1 46 GLY 3 3 6 1 16.7 -0.7 .
1 47 ASP 4 10 18 5 27.8 -0.0 .
1 48 TYR 6 32 46 16 34.8 0.4 .
1 49 VAL 5 33 53 15 28.3 0.0 .
1 50 LEU 7 62 77 28 36.4 0.5 .
1 51 SER 4 28 31 11 35.5 0.4 .
1 52 VAL 5 47 53 20 37.7 0.6 .
1 53 SER 4 23 28 9 32.1 0.2 .
1 54 GLU 5 19 27 8 29.6 0.1 .
1 55 ASN 6 10 13 4 30.8 0.2 .
1 56 SER 4 9 5 2 40.0 0.7 .
1 57 ARG 7 9 22 2 9.1 -1.1 >sigma
1 58 VAL 5 17 32 6 18.8 -0.6 .
1 59 SER 4 18 18 8 44.4 1.0 .
1 60 HIS 6 29 34 12 35.3 0.4 .
1 61 TYR 6 40 54 20 37.0 0.5 .
1 62 ILE 6 22 37 8 21.6 -0.4 .
1 63 ILE 6 56 72 32 44.4 1.0 .
1 64 ASN 6 16 22 8 36.4 0.5 .
1 65 SER 4 14 13 6 46.2 1.1 >sigma
1 66 LEU 7 23 49 12 24.5 -0.2 .
1 67 PRO 5 4 10 1 10.0 -1.1 >sigma
1 68 ASN 6 7 9 3 33.3 0.3 .
1 69 ARG 7 8 8 5 62.5 2.0 >sigma
1 70 ARG 7 15 28 9 32.1 0.2 .
1 71 PHE 7 37 51 23 45.1 1.0 .
1 72 LYS 7 24 48 11 22.9 -0.3 .
1 73 ILE 6 34 67 19 28.4 0.0 .
1 74 GLY 3 13 20 8 40.0 0.7 .
1 75 ASP 4 4 15 2 13.3 -0.9 .
1 76 GLN 7 8 17 2 11.8 -1.0 .
1 77 GLU 5 12 22 5 22.7 -0.3 .
1 78 PHE 7 20 52 9 17.3 -0.6 .
1 79 ASP 4 9 19 5 26.3 -0.1 .
1 80 HIS 6 22 31 10 32.3 0.2 .
1 81 LEU 7 29 68 20 29.4 0.1 .
1 82 PRO 5 10 36 3 8.3 -1.2 >sigma
1 83 ALA 3 25 25 12 48.0 1.2 >sigma
1 84 LEU 7 43 76 28 36.8 0.5 .
1 85 LEU 7 39 67 21 31.3 0.2 .
1 86 GLU 5 15 24 6 25.0 -0.2 .
1 87 PHE 7 19 38 12 31.6 0.2 .
1 88 TYR 6 37 57 16 28.1 -0.0 .
1 89 LYS 7 16 35 9 25.7 -0.1 .
1 90 ILE 6 14 21 6 28.6 0.0 .
1 91 HIS 6 15 27 4 14.8 -0.8 .
1 92 TYR 6 18 31 11 35.5 0.4 .
1 93 LEU 7 23 51 13 25.5 -0.2 .
1 94 ASP 4 9 31 4 12.9 -0.9 .
1 95 THR 4 8 23 3 13.0 -0.9 .
1 96 THR 4 17 27 7 25.9 -0.1 .
1 97 THR 4 32 35 19 54.3 1.5 >sigma
1 98 LEU 7 36 62 16 25.8 -0.1 .
1 99 ILE 6 25 39 13 33.3 0.3 .
1 100 GLU 5 15 21 7 33.3 0.3 .
1 101 PRO 5 14 37 5 13.5 -0.9 .
1 102 ALA 3 21 31 10 32.3 0.2 .
1 103 PRO 5 3 10 1 10.0 -1.1 >sigma
1 104 ARG 7 5 18 4 22.2 -0.4 .
1 105 TYR 6 0 10 0 0.0 -1.7 >sigma
1 106 PRO 5 0 8 0 0.0 -1.7 >sigma
1 107 SER 4 1 7 0 0.0 -1.7 >sigma
1 108 PRO 5 1 8 0 0.0 -1.7 >sigma
1 109 PRO 5 0 8 0 0.0 -1.7 >sigma
1 110 MET 6 2 9 1 11.1 -1.0 >sigma
1 111 GLY 3 3 8 2 25.0 -0.2 .
1 112 SER 4 1 7 1 14.3 -0.8 .
1 113 VAL 5 0 9 0 0.0 -1.7 >sigma
1 114 SER 4 3 9 1 11.1 -1.0 >sigma
1 115 ALA 3 5 7 2 28.6 0.0 .
1 116 PRO 5 2 6 1 16.7 -0.7 .
1 117 ASN 6 0 7 0 0.0 -1.7 >sigma
1 118 LEU 7 0 10 0 0.0 -1.7 >sigma
1 119 PRO 5 0 10 0 0.0 -1.7 >sigma
1 120 THR 4 4 9 2 22.2 -0.4 .
1 121 ALA 3 5 8 3 37.5 0.6 .
1 122 GLU 5 5 7 3 42.9 0.9 .
1 123 ASP 4 7 8 4 50.0 1.3 >sigma
1 124 ASN 6 3 9 2 22.2 -0.4 .
1 125 LEU 7 12 48 5 10.4 -1.0 >sigma
1 126 GLU 5 0 20 0 0.0 -1.7 >sigma
1 127 TYR 6 29 32 8 25.0 -0.2 .
1 128 VAL 5 53 67 25 37.3 0.5 .
1 129 ARG 7 42 50 15 30.0 0.1 .
1 130 THR 4 49 42 23 54.8 1.6 >sigma
1 131 LEU 7 25 26 10 38.5 0.6 .
1 132 TYR 6 19 30 9 30.0 0.1 .
1 133 ASP 4 35 23 11 47.8 1.2 >sigma
1 134 PHE 7 30 36 11 30.6 0.1 .
1 135 PRO 5 13 17 4 23.5 -0.3 .
1 136 GLY 3 16 16 7 43.8 0.9 .
1 137 ASN 6 14 19 8 42.1 0.8 .
1 138 ASP 4 18 21 9 42.9 0.9 .
1 139 ALA 3 13 7 6 85.7 3.4 >sigma
1 140 GLU 5 18 13 7 53.8 1.5 >sigma
1 141 ASP 4 26 25 13 52.0 1.4 >sigma
1 142 LEU 7 57 70 29 41.4 0.8 .
1 143 PRO 5 23 36 9 25.0 -0.2 .
1 144 PHE 7 54 76 25 32.9 0.3 .
1 145 LYS 7 32 32 12 37.5 0.6 .
1 146 LYS 7 23 23 9 39.1 0.6 .
1 147 GLY 3 19 11 3 27.3 -0.1 .
1 148 GLU 5 23 29 8 27.6 -0.0 .
1 149 ILE 6 25 35 11 31.4 0.2 .
1 150 LEU 7 59 69 28 40.6 0.7 .
1 151 VAL 5 45 44 16 36.4 0.5 .
1 152 ILE 6 43 74 21 28.4 0.0 .
1 153 ILE 6 21 65 14 21.5 -0.4 .
1 154 GLU 5 17 43 9 20.9 -0.4 .
1 155 LYS 7 31 46 12 26.1 -0.1 .
1 156 PRO 5 25 35 15 42.9 0.9 .
1 157 GLU 5 33 28 16 57.1 1.7 >sigma
1 158 GLU 5 14 13 6 46.2 1.1 >sigma
1 159 GLN 7 12 19 6 31.6 0.2 .
1 160 TRP 10 39 52 16 30.8 0.2 .
1 161 TRP 10 66 75 29 38.7 0.6 .
1 162 SER 4 41 32 11 34.4 0.4 .
1 163 ALA 3 52 40 26 65.0 2.2 >sigma
1 164 ARG 7 52 72 27 37.5 0.6 .
1 165 ASN 6 30 44 15 34.1 0.3 .
1 166 LYS 7 15 16 6 37.5 0.6 .
1 167 ASP 4 9 18 4 22.2 -0.4 .
1 168 GLY 3 13 14 6 42.9 0.9 .
1 169 ARG 7 12 35 8 22.9 -0.3 .
1 170 VAL 5 25 39 11 28.2 0.0 .
1 171 GLY 3 35 21 11 52.4 1.4 >sigma
1 172 MET 6 57 43 25 58.1 1.8 >sigma
1 173 ILE 6 59 71 33 46.5 1.1 >sigma
1 174 PRO 5 42 44 25 56.8 1.7 >sigma
1 175 VAL 5 32 36 17 47.2 1.1 >sigma
1 176 PRO 5 20 21 9 42.9 0.9 .
1 177 TYR 6 59 53 27 50.9 1.3 >sigma
1 178 VAL 5 48 49 25 51.0 1.3 >sigma
1 179 GLU 5 23 28 10 35.7 0.4 .
1 180 LYS 7 21 36 10 27.8 -0.0 .
1 181 LEU 7 18 33 7 21.2 -0.4 .
1 182 VAL 5 6 13 4 30.8 0.2 .
1 183 ARG 7 5 10 4 40.0 0.7 .
1 184 SER 4 6 8 2 25.0 -0.2 .
1 185 SER 4 5 7 1 14.3 -0.8 .
1 186 PRO 5 4 6 1 16.7 -0.7 .
1 187 HIS 6 13 8 4 50.0 1.3 >sigma
1 188 GLY 3 8 7 4 57.1 1.7 >sigma
1 189 LYS 7 5 6 3 50.0 1.3 >sigma
1 190 HIS 6 4 7 1 14.3 -0.8 .
1 191 GLY 3 0 7 0 0.0 -1.7 >sigma
1 192 ASN 6 0 7 0 0.0 -1.7 >sigma
1 193 ARG 7 0 9 0 0.0 -1.7 >sigma
1 194 ASN 6 0 9 0 0.0 -1.7 >sigma
1 195 SER 4 0 8 0 0.0 -1.7 >sigma
1 196 ASN 6 0 8 0 0.0 -1.7 >sigma
1 197 SER 4 0 8 0 0.0 -1.7 >sigma
1 198 TYR 6 1 9 1 11.1 -1.0 >sigma
1 199 GLY 3 2 8 2 25.0 -0.2 .
1 200 ILE 6 1 8 1 12.5 -0.9 .
1 201 PRO 5 0 8 0 0.0 -1.7 >sigma
1 202 GLU 5 1 8 1 12.5 -0.9 .
1 203 PRO 5 1 8 1 12.5 -0.9 .
1 204 ALA 3 1 6 1 16.7 -0.7 .
1 205 HIS 6 1 6 1 16.7 -0.7 .
1 206 ALA 3 0 3 0 0.0 -1.7 >sigma
1 208 ALA 3 4 19 4 21.1 -0.4 .
1 209 GLN 7 4 27 4 14.8 -0.8 .
1 210 PRO 5 9 36 7 19.4 -0.5 .
1 211 GLN 7 3 9 1 11.1 -1.0 >sigma
1 212 THR 4 1 8 0 0.0 -1.7 >sigma
1 213 THR 4 1 8 1 12.5 -0.9 .
1 214 THR 4 1 8 1 12.5 -0.9 .
1 215 PRO 5 1 7 1 14.3 -0.8 .
1 216 LEU 7 1 9 1 11.1 -1.0 >sigma
1 217 PRO 5 1 10 1 10.0 -1.1 >sigma
1 218 ALA 3 1 7 1 14.3 -0.8 .
1 219 VAL 5 0 8 0 0.0 -1.7 >sigma
1 220 SER 4 1 9 1 11.1 -1.0 >sigma
1 221 GLY 3 2 7 2 28.6 0.0 .
1 222 SER 4 1 7 1 14.3 -0.8 .
1 223 PRO 5 1 8 1 12.5 -0.9 .
1 224 GLY 3 1 7 1 14.3 -0.8 .
1 225 ALA 3 0 6 0 0.0 -1.7 >sigma
1 226 ALA 3 1 6 1 16.7 -0.7 .
1 227 ILE 6 1 8 1 12.5 -0.9 .
1 228 THR 4 0 10 0 0.0 -1.7 >sigma
1 229 PRO 5 1 9 0 0.0 -1.7 >sigma
1 230 LEU 7 2 11 0 0.0 -1.7 >sigma
1 231 PRO 5 2 11 0 0.0 -1.7 >sigma
1 232 SER 4 3 8 1 12.5 -0.9 .
1 233 THR 4 8 12 5 41.7 0.8 .
1 234 GLN 7 6 8 3 37.5 0.6 .
1 235 ASN 6 5 12 3 25.0 -0.2 .
1 236 GLY 3 2 7 0 0.0 -1.7 >sigma
1 237 PRO 5 4 10 1 10.0 -1.1 >sigma
1 238 VAL 5 17 27 12 44.4 1.0 .
1 239 PHE 7 13 26 7 26.9 -0.1 .
1 240 ALA 3 36 33 21 63.6 2.1 >sigma
1 241 LYS 7 27 32 9 28.1 -0.0 .
1 242 ALA 3 41 33 24 72.7 2.6 >sigma
1 243 ILE 6 16 32 9 28.1 -0.0 .
1 244 GLN 7 13 17 3 17.6 -0.6 .
1 245 LYS 7 10 14 2 14.3 -0.8 .
1 246 ARG 7 21 36 11 30.6 0.1 .
1 247 VAL 5 9 11 4 36.4 0.5 .
1 248 PRO 5 4 13 2 15.4 -0.8 .
1 249 CYS 4 11 10 4 40.0 0.7 .
1 250 ALA 3 8 7 3 42.9 0.9 .
1 251 TYR 6 9 9 5 55.6 1.6 >sigma
1 252 ASP 4 14 13 7 53.8 1.5 >sigma
1 253 LYS 7 8 9 4 44.4 1.0 .
1 254 THR 4 13 14 5 35.7 0.4 .
1 255 ALA 3 25 20 14 70.0 2.5 >sigma
1 256 LEU 7 37 59 16 27.1 -0.1 .
1 257 ALA 3 22 18 11 61.1 1.9 >sigma
1 258 LEU 7 39 47 20 42.6 0.8 .
1 259 GLU 5 13 16 5 31.3 0.2 .
1 260 VAL 5 16 16 8 50.0 1.3 >sigma
1 261 GLY 3 13 10 7 70.0 2.5 >sigma
1 262 ASP 4 14 16 6 37.5 0.6 .
1 263 ILE 6 23 32 8 25.0 -0.2 .
1 264 VAL 5 48 47 27 57.4 1.7 >sigma
1 265 LYS 7 16 14 6 42.9 0.9 .
1 266 VAL 5 39 50 25 50.0 1.3 >sigma
1 267 THR 4 12 12 7 58.3 1.8 >sigma
1 268 ARG 7 10 12 6 50.0 1.3 >sigma
1 269 MET 6 22 32 14 43.8 0.9 .
1 270 ASN 6 17 20 7 35.0 0.4 .
1 271 ILE 6 6 8 2 25.0 -0.2 .
1 272 ASN 6 6 10 3 30.0 0.1 .
1 273 GLY 3 11 14 5 35.7 0.4 .
1 274 GLN 7 13 20 5 25.0 -0.2 .
1 275 TRP 10 41 63 25 39.7 0.7 .
1 276 GLU 5 23 21 11 52.4 1.4 >sigma
1 277 GLY 3 19 22 8 36.4 0.5 .
1 278 GLU 5 17 18 7 38.9 0.6 .
1 279 VAL 5 33 37 15 40.5 0.7 .
1 280 ASN 6 8 14 4 28.6 0.0 .
1 281 GLY 3 7 7 3 42.9 0.9 .
1 282 ARG 7 20 22 9 40.9 0.8 .
1 283 LYS 7 16 20 6 30.0 0.1 .
1 284 GLY 3 21 20 9 45.0 1.0 .
1 285 LEU 7 30 38 15 39.5 0.7 .
1 286 PHE 7 54 61 30 49.2 1.2 >sigma
1 287 PRO 5 8 27 4 14.8 -0.8 .
1 288 PHE 7 13 24 7 29.2 0.1 .
1 289 THR 4 9 12 4 33.3 0.3 .
1 290 HIS 6 15 23 8 34.8 0.4 .
1 291 VAL 5 45 50 26 52.0 1.4 >sigma
1 292 LYS 7 18 19 9 47.4 1.1 >sigma
1 293 ILE 6 20 31 10 32.3 0.2 .
1 294 PHE 7 17 30 7 23.3 -0.3 .
1 295 ASP 4 4 10 2 20.0 -0.5 .
1 296 PRO 5 2 14 0 0.0 -1.7 >sigma
1 297 GLN 7 3 8 1 12.5 -0.9 .
1 298 ASN 6 5 9 2 22.2 -0.4 .
1 299 PRO 5 2 8 0 0.0 -1.7 >sigma
1 300 ASP 4 3 10 1 10.0 -1.1 >sigma
1 301 GLU 5 0 8 0 0.0 -1.7 >sigma
1 302 ASN 6 0 8 0 0.0 -1.7 >sigma
1 303 GLU 5 0 4 0 0.0 -1.7 >sigma
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