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 |
|
|
576739 |
2mly   |
19836 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2mly
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 594
_NOE_completeness_stats.Total_atom_count 9012
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 3129
_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 11.6
_NOE_completeness_stats.Constraint_unexpanded_count 2135
_NOE_completeness_stats.Constraint_count 2135
_NOE_completeness_stats.Constraint_exp_unfiltered_count 7262
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 249
_NOE_completeness_stats.Constraint_intraresidue_count 366
_NOE_completeness_stats.Constraint_surplus_count 138
_NOE_completeness_stats.Constraint_observed_count 1382
_NOE_completeness_stats.Constraint_expected_count 7136
_NOE_completeness_stats.Constraint_matched_count 829
_NOE_completeness_stats.Constraint_unmatched_count 553
_NOE_completeness_stats.Constraint_exp_nonobs_count 6307
_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 439 2481 227 9.1 0.1 .
medium-range 230 1669 147 8.8 0.0 .
long-range 713 2770 455 16.4 1.1 >sigma
intermolecular 0 216 0 0.0 -1.2 >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 76 32 0 5 10 9 4 3 1 0 . 0 42.1 42.1
shell 2.00 2.50 734 197 0 11 81 59 34 7 4 1 . 0 26.8 28.3
shell 2.50 3.00 1410 164 0 4 27 58 45 21 9 0 . 0 11.6 17.7
shell 3.00 3.50 1777 197 0 1 17 61 68 34 14 2 . 0 11.1 14.8
shell 3.50 4.00 3139 239 0 0 2 44 99 66 25 3 . 0 7.6 11.6
shell 4.00 4.50 4712 288 0 0 1 10 97 109 59 12 . 0 6.1 9.4
shell 4.50 5.00 6896 175 0 0 0 0 13 89 52 21 . 0 2.5 6.9
shell 5.00 5.50 8295 64 0 0 0 0 0 5 33 26 . 0 0.8 5.0
shell 5.50 6.00 9655 25 0 0 0 0 0 0 10 15 . 0 0.3 3.8
shell 6.00 6.50 10359 1 0 0 0 0 0 0 1 0 . 0 0.0 2.9
shell 6.50 7.00 11961 0 0 0 0 0 0 0 0 0 . 0 0.0 2.3
shell 7.00 7.50 12666 0 0 0 0 0 0 0 0 0 . 0 0.0 1.9
shell 7.50 8.00 14051 0 0 0 0 0 0 0 0 0 . 0 0.0 1.6
shell 8.00 8.50 14758 0 0 0 0 0 0 0 0 0 . 0 0.0 1.4
shell 8.50 9.00 16011 0 0 0 0 0 0 0 0 0 . 0 0.0 1.2
sums . . 116500 1382 0 21 138 241 360 334 208 80 . 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 12 MET 6 0 23 0 0.0 -0.5 .
1 13 GLN 7 0 19 0 0.0 -0.5 .
1 14 VAL 5 0 32 0 0.0 -0.5 .
1 15 SER 4 0 16 0 0.0 -0.5 .
1 16 VAL 5 0 28 0 0.0 -0.5 .
1 17 GLU 5 0 21 0 0.0 -0.5 .
1 18 THR 4 0 16 0 0.0 -0.5 .
1 19 THR 4 0 19 0 0.0 -0.5 .
1 20 GLN 7 0 12 0 0.0 -0.5 .
1 21 GLY 3 0 8 0 0.0 -0.5 .
1 22 LEU 7 0 40 0 0.0 -0.5 .
1 23 GLY 3 0 19 0 0.0 -0.5 .
1 24 ARG 7 0 40 0 0.0 -0.5 .
1 25 ARG 7 0 49 0 0.0 -0.5 .
1 26 VAL 5 0 49 0 0.0 -0.5 .
1 27 THR 4 0 20 0 0.0 -0.5 .
1 28 ILE 6 0 55 0 0.0 -0.5 .
1 29 THR 4 0 27 0 0.0 -0.5 .
1 30 ILE 6 0 62 0 0.0 -0.5 .
1 31 ALA 3 0 13 0 0.0 -0.5 .
1 32 ALA 3 0 20 0 0.0 -0.5 .
1 33 ASP 4 0 12 0 0.0 -0.5 .
1 34 SER 4 0 18 0 0.0 -0.5 .
1 35 ILE 6 0 54 0 0.0 -0.5 .
1 36 GLU 5 0 26 0 0.0 -0.5 .
1 37 THR 4 0 20 0 0.0 -0.5 .
1 38 ALA 3 0 21 0 0.0 -0.5 .
1 39 VAL 5 0 55 0 0.0 -0.5 .
1 40 LYS 7 0 46 0 0.0 -0.5 .
1 41 SER 4 0 14 0 0.0 -0.5 .
1 42 GLU 5 0 31 0 0.0 -0.5 .
1 43 LEU 7 0 43 0 0.0 -0.5 .
1 44 VAL 5 0 26 0 0.0 -0.5 .
1 45 ASN 6 0 19 0 0.0 -0.5 .
1 46 VAL 5 0 33 0 0.0 -0.5 .
1 47 ALA 3 0 31 0 0.0 -0.5 .
1 48 LYS 7 0 29 0 0.0 -0.5 .
1 49 LYS 7 0 28 0 0.0 -0.5 .
1 50 VAL 5 0 30 0 0.0 -0.5 .
1 51 ARG 7 0 19 0 0.0 -0.5 .
1 52 ILE 6 0 34 0 0.0 -0.5 .
1 53 ASP 4 0 26 0 0.0 -0.5 .
1 54 GLY 3 0 9 0 0.0 -0.5 .
1 55 PHE 7 0 13 0 0.0 -0.5 .
1 56 ARG 7 0 27 0 0.0 -0.5 .
1 57 LYS 7 0 9 0 0.0 -0.5 .
1 58 GLY 3 0 12 0 0.0 -0.5 .
1 59 LYS 7 0 15 0 0.0 -0.5 .
1 60 VAL 5 0 22 0 0.0 -0.5 .
1 61 PRO 5 0 24 0 0.0 -0.5 .
1 62 MET 6 0 25 0 0.0 -0.5 .
1 63 ASN 6 0 21 0 0.0 -0.5 .
1 64 ILE 6 0 42 0 0.0 -0.5 .
1 65 VAL 5 0 35 0 0.0 -0.5 .
1 66 ALA 3 0 35 0 0.0 -0.5 .
1 67 GLN 7 0 21 0 0.0 -0.5 .
1 68 ARG 7 0 31 0 0.0 -0.5 .
1 69 TYR 6 0 26 0 0.0 -0.5 .
1 70 GLY 3 0 24 0 0.0 -0.5 .
1 71 ALA 3 0 12 0 0.0 -0.5 .
1 72 SER 4 0 7 0 0.0 -0.5 .
1 73 VAL 5 0 31 0 0.0 -0.5 .
1 74 ARG 7 0 50 0 0.0 -0.5 .
1 75 GLN 7 0 17 0 0.0 -0.5 .
1 76 ASP 4 0 17 0 0.0 -0.5 .
1 77 VAL 5 0 45 0 0.0 -0.5 .
1 78 LEU 7 0 50 0 0.0 -0.5 .
1 79 GLY 3 0 14 0 0.0 -0.5 .
1 80 ASP 4 0 15 0 0.0 -0.5 .
1 81 LEU 7 0 57 0 0.0 -0.5 .
1 82 MET 6 0 40 0 0.0 -0.5 .
1 83 SER 4 0 16 0 0.0 -0.5 .
1 84 ARG 7 0 23 0 0.0 -0.5 .
1 85 ASN 6 0 37 0 0.0 -0.5 .
1 86 PHE 7 0 56 0 0.0 -0.5 .
1 87 ILE 6 0 32 0 0.0 -0.5 .
1 88 ASP 4 0 20 0 0.0 -0.5 .
1 89 ALA 3 0 33 0 0.0 -0.5 .
1 90 ILE 6 0 56 0 0.0 -0.5 .
1 91 ILE 6 0 24 0 0.0 -0.5 .
1 92 LYS 7 0 32 0 0.0 -0.5 .
1 93 GLU 5 0 28 0 0.0 -0.5 .
1 94 LYS 7 0 12 0 0.0 -0.5 .
1 95 ILE 6 0 50 0 0.0 -0.5 .
1 96 ASN 6 0 15 0 0.0 -0.5 .
1 97 PRO 5 0 32 0 0.0 -0.5 .
1 98 ALA 3 0 28 0 0.0 -0.5 .
1 99 GLY 3 0 7 0 0.0 -0.5 .
1 100 ALA 3 0 6 0 0.0 -0.5 .
1 101 PRO 5 0 27 0 0.0 -0.5 .
1 102 THR 4 0 16 0 0.0 -0.5 .
1 103 TYR 6 0 36 0 0.0 -0.5 .
1 104 VAL 5 0 24 0 0.0 -0.5 .
1 105 PRO 5 0 21 0 0.0 -0.5 .
1 106 GLY 3 0 9 0 0.0 -0.5 .
1 107 GLU 5 0 12 0 0.0 -0.5 .
1 108 TYR 6 0 33 0 0.0 -0.5 .
1 109 LYS 7 0 21 0 0.0 -0.5 .
1 110 LEU 7 0 13 0 0.0 -0.5 .
1 111 GLY 3 0 9 0 0.0 -0.5 .
1 112 GLU 5 0 21 0 0.0 -0.5 .
1 113 ASP 4 0 16 0 0.0 -0.5 .
1 114 PHE 7 0 59 0 0.0 -0.5 .
1 115 THR 4 0 12 0 0.0 -0.5 .
1 116 TYR 6 0 47 0 0.0 -0.5 .
1 117 SER 4 0 28 0 0.0 -0.5 .
1 118 VAL 5 0 51 0 0.0 -0.5 .
1 119 GLU 5 0 33 0 0.0 -0.5 .
1 120 PHE 7 0 59 0 0.0 -0.5 .
1 121 GLU 5 0 37 0 0.0 -0.5 .
1 122 VAL 5 0 46 0 0.0 -0.5 .
1 123 TYR 6 0 32 0 0.0 -0.5 .
1 124 PRO 5 0 27 0 0.0 -0.5 .
1 125 GLU 5 0 10 0 0.0 -0.5 .
1 126 VAL 5 3 45 3 6.7 -0.1 .
1 127 GLU 5 0 7 0 0.0 -0.5 .
1 128 LEU 7 6 49 4 8.2 -0.0 .
1 129 GLN 7 0 15 0 0.0 -0.5 .
1 130 GLY 3 0 9 0 0.0 -0.5 .
1 131 LEU 7 6 63 5 7.9 -0.0 .
1 132 GLU 5 0 18 0 0.0 -0.5 .
1 133 ALA 3 0 16 0 0.0 -0.5 .
1 134 ILE 6 8 64 6 9.4 0.1 .
1 135 GLU 5 0 22 0 0.0 -0.5 .
1 136 VAL 5 10 50 8 16.0 0.4 .
1 137 GLU 5 0 30 0 0.0 -0.5 .
1 138 LYS 7 0 48 0 0.0 -0.5 .
1 139 PRO 5 0 50 0 0.0 -0.5 .
1 140 ILE 6 0 32 0 0.0 -0.5 .
1 141 VAL 5 12 47 11 23.4 0.9 .
1 142 GLU 5 0 12 0 0.0 -0.5 .
1 143 VAL 5 4 42 2 4.8 -0.2 .
1 144 THR 4 0 15 0 0.0 -0.5 .
1 145 ASP 4 0 15 0 0.0 -0.5 .
1 146 ALA 3 0 15 0 0.0 -0.5 .
1 147 ASP 4 0 23 0 0.0 -0.5 .
1 148 VAL 5 0 49 0 0.0 -0.5 .
1 149 ASP 4 0 21 0 0.0 -0.5 .
1 150 GLY 3 0 14 0 0.0 -0.5 .
1 151 MET 6 2 39 1 2.6 -0.3 .
1 152 LEU 7 11 49 5 10.2 0.1 .
1 153 ASP 4 0 18 0 0.0 -0.5 .
1 154 THR 4 0 21 0 0.0 -0.5 .
1 155 LEU 7 3 37 2 5.4 -0.2 .
1 156 ARG 7 0 43 0 0.0 -0.5 .
1 157 LYS 7 0 35 0 0.0 -0.5 .
1 158 GLN 7 0 19 0 0.0 -0.5 .
1 159 GLN 7 0 21 0 0.0 -0.5 .
1 160 ALA 3 1 22 1 4.5 -0.2 .
1 161 THR 4 11 12 7 58.3 2.8 >sigma
1 162 TRP 10 17 39 7 17.9 0.5 .
1 163 LYS 7 15 19 6 31.6 1.3 >sigma
1 164 GLU 5 16 19 10 52.6 2.5 >sigma
1 165 LYS 7 22 53 10 18.9 0.6 .
1 166 ASP 4 9 16 4 25.0 0.9 .
1 167 GLY 3 9 12 1 8.3 -0.0 .
1 168 ALA 3 13 7 4 57.1 2.8 >sigma
1 169 VAL 5 47 52 26 50.0 2.4 >sigma
1 170 GLU 5 8 22 4 18.2 0.6 .
1 171 ALA 3 15 24 12 50.0 2.4 >sigma
1 172 GLU 5 11 20 6 30.0 1.2 >sigma
1 173 ASP 4 26 28 12 42.9 2.0 >sigma
1 174 ARG 7 31 40 22 55.0 2.7 >sigma
1 175 VAL 5 26 58 17 29.3 1.2 >sigma
1 176 THR 4 36 37 20 54.1 2.6 >sigma
1 177 ILE 6 70 81 39 48.1 2.3 >sigma
1 178 ASP 4 31 34 14 41.2 1.9 >sigma
1 179 PHE 7 55 78 35 44.9 2.1 >sigma
1 180 THR 4 28 23 14 60.9 3.0 >sigma
1 181 GLY 3 19 26 11 42.3 1.9 >sigma
1 182 SER 4 35 29 16 55.2 2.7 >sigma
1 183 VAL 5 43 43 27 62.8 3.1 >sigma
1 184 ASP 4 12 18 6 33.3 1.4 >sigma
1 185 GLY 3 9 19 4 21.1 0.7 .
1 186 GLU 5 14 11 5 45.5 2.1 >sigma
1 187 GLU 5 16 21 7 33.3 1.4 >sigma
1 188 PHE 7 46 48 24 50.0 2.4 >sigma
1 189 GLU 5 10 10 5 50.0 2.4 >sigma
1 190 GLY 3 7 11 2 18.2 0.6 .
1 191 GLY 3 9 25 6 24.0 0.9 .
1 192 LYS 7 26 36 14 38.9 1.7 >sigma
1 193 ALA 3 30 23 15 65.2 3.2 >sigma
1 194 SER 4 24 9 9 100.0 5.2 >sigma
1 195 ASP 4 21 20 9 45.0 2.1 >sigma
1 196 PHE 7 44 58 27 46.6 2.2 >sigma
1 197 VAL 5 21 20 10 50.0 2.4 >sigma
1 198 LEU 7 44 60 29 48.3 2.3 >sigma
1 199 ALA 3 25 25 18 72.0 3.6 >sigma
1 200 MET 6 34 41 16 39.0 1.7 >sigma
1 201 GLY 3 5 6 2 33.3 1.4 >sigma
1 202 GLN 7 10 20 3 15.0 0.4 .
1 203 GLY 3 5 7 2 28.6 1.2 >sigma
1 204 ARG 7 2 16 1 6.3 -0.1 .
1 205 MET 6 19 45 11 24.4 0.9 .
1 206 ILE 6 21 63 13 20.6 0.7 .
1 207 PRO 5 0 14 0 0.0 -0.5 .
1 208 GLY 3 6 11 4 36.4 1.6 >sigma
1 209 PHE 7 39 74 28 37.8 1.7 >sigma
1 210 GLU 5 0 36 0 0.0 -0.5 .
1 211 ASP 4 16 20 10 50.0 2.4 >sigma
1 212 GLY 3 17 22 9 40.9 1.9 >sigma
1 213 ILE 6 52 74 31 41.9 1.9 >sigma
1 214 LYS 7 45 45 25 55.6 2.7 >sigma
1 215 GLY 3 14 9 6 66.7 3.3 >sigma
1 216 HIS 6 10 27 7 25.9 1.0 .
1 217 LYS 7 12 27 9 33.3 1.4 >sigma
1 218 ALA 3 19 36 13 36.1 1.6 >sigma
1 219 GLY 3 12 12 6 50.0 2.4 >sigma
1 220 GLU 5 25 32 15 46.9 2.2 >sigma
1 221 GLU 5 16 12 11 91.7 4.7 >sigma
1 222 PHE 7 55 49 34 69.4 3.5 >sigma
1 223 THR 4 33 24 16 66.7 3.3 >sigma
1 224 ILE 6 70 53 42 79.2 4.0 >sigma
1 225 ASP 4 17 14 6 42.9 2.0 >sigma
1 226 VAL 5 49 43 31 72.1 3.6 >sigma
1 227 THR 4 27 21 16 76.2 3.9 >sigma
1 228 PHE 7 46 66 30 45.5 2.1 >sigma
1 229 PRO 5 22 43 14 32.6 1.4 >sigma
1 230 GLU 5 14 25 12 48.0 2.3 >sigma
1 231 GLU 5 7 16 4 25.0 0.9 .
1 232 TYR 6 35 57 26 45.6 2.1 >sigma
1 233 HIS 6 1 7 1 14.3 0.3 .
1 234 ALA 3 21 26 14 53.8 2.6 >sigma
1 235 GLU 5 19 23 12 52.2 2.5 >sigma
1 236 ASN 6 11 15 7 46.7 2.2 >sigma
1 237 LEU 7 47 52 29 55.8 2.7 >sigma
1 238 LYS 7 41 48 26 54.2 2.6 >sigma
1 239 GLY 3 20 18 13 72.2 3.6 >sigma
1 240 LYS 7 29 47 23 48.9 2.3 >sigma
1 241 ALA 3 17 16 10 62.5 3.1 >sigma
1 242 ALA 3 31 31 20 64.5 3.2 >sigma
1 243 LYS 7 24 42 12 28.6 1.2 >sigma
1 244 PHE 7 57 66 33 50.0 2.4 >sigma
1 245 ALA 3 26 21 14 66.7 3.3 >sigma
1 246 ILE 6 69 74 44 59.5 2.9 >sigma
1 247 ASN 6 23 22 9 40.9 1.9 >sigma
1 248 LEU 7 33 72 19 26.4 1.0 >sigma
1 249 LYS 7 18 41 10 24.4 0.9 .
1 250 LYS 7 23 44 16 36.4 1.6 >sigma
1 251 VAL 5 26 65 18 27.7 1.1 >sigma
1 252 GLU 5 20 32 13 40.6 1.8 >sigma
1 253 GLU 5 19 31 6 19.4 0.6 .
1 254 ARG 7 18 45 8 17.8 0.5 .
1 255 GLU 5 14 25 10 40.0 1.8 >sigma
1 256 LEU 7 2 32 1 3.1 -0.3 .
1 257 PRO 5 5 27 4 14.8 0.4 .
1 258 GLU 5 5 16 5 31.3 1.3 >sigma
1 259 LEU 7 7 28 6 21.4 0.7 .
1 260 THR 4 0 21 0 0.0 -0.5 .
1 261 ALA 3 2 17 1 5.9 -0.1 .
1 262 GLU 5 0 21 0 0.0 -0.5 .
1 263 PHE 7 0 35 0 0.0 -0.5 .
1 264 ILE 6 9 53 6 11.3 0.2 .
1 265 LYS 7 0 30 0 0.0 -0.5 .
1 266 ARG 7 0 23 0 0.0 -0.5 .
1 267 PHE 7 0 28 0 0.0 -0.5 .
1 268 GLY 3 0 11 0 0.0 -0.5 .
1 269 VAL 5 9 43 2 4.7 -0.2 .
1 270 GLU 5 0 7 0 0.0 -0.5 .
1 271 ASP 4 0 7 0 0.0 -0.5 .
1 272 GLY 3 0 20 0 0.0 -0.5 .
1 273 SER 4 0 17 0 0.0 -0.5 .
1 274 VAL 5 4 30 3 10.0 0.1 .
1 275 GLU 5 0 18 0 0.0 -0.5 .
1 276 GLY 3 0 18 0 0.0 -0.5 .
1 277 LEU 7 8 57 7 12.3 0.2 .
1 278 ARG 7 0 33 0 0.0 -0.5 .
1 279 ALA 3 0 15 0 0.0 -0.5 .
1 280 GLU 5 0 33 0 0.0 -0.5 .
1 281 VAL 5 5 55 5 9.1 0.0 .
1 282 ARG 7 0 44 0 0.0 -0.5 .
1 283 LYS 7 0 21 0 0.0 -0.5 .
1 284 ASN 6 0 22 0 0.0 -0.5 .
1 285 MET 6 3 44 2 4.5 -0.2 .
1 286 GLU 5 0 26 0 0.0 -0.5 .
1 287 ARG 7 0 22 0 0.0 -0.5 .
1 288 GLU 5 0 22 0 0.0 -0.5 .
1 289 LEU 7 10 50 10 20.0 0.7 .
1 290 LYS 7 0 23 0 0.0 -0.5 .
1 291 SER 4 0 18 0 0.0 -0.5 .
1 292 ALA 3 4 24 3 12.5 0.2 .
1 293 ILE 6 7 54 7 13.0 0.3 .
1 294 ARG 7 0 33 0 0.0 -0.5 .
1 295 ASN 6 0 18 0 0.0 -0.5 .
1 296 ARG 7 0 50 0 0.0 -0.5 .
1 297 VAL 5 3 45 3 6.7 -0.1 .
1 298 LYS 7 0 51 0 0.0 -0.5 .
1 299 SER 4 0 16 0 0.0 -0.5 .
1 300 GLN 7 0 34 0 0.0 -0.5 .
1 301 ALA 3 11 36 7 19.4 0.6 .
1 302 ILE 6 6 51 6 11.8 0.2 .
1 303 GLU 5 0 26 0 0.0 -0.5 .
1 304 GLY 3 0 26 0 0.0 -0.5 .
1 305 LEU 7 11 74 9 12.2 0.2 .
1 306 VAL 5 0 46 0 0.0 -0.5 .
1 307 LYS 7 0 21 0 0.0 -0.5 .
1 308 ALA 3 5 23 3 13.0 0.3 .
1 309 ASN 6 0 35 0 0.0 -0.5 .
1 310 ASP 4 0 7 0 0.0 -0.5 .
1 311 ILE 6 6 41 5 12.2 0.2 .
1 312 ASP 4 0 8 0 0.0 -0.5 .
1 313 VAL 5 6 51 6 11.8 0.2 .
1 314 PRO 5 0 40 0 0.0 -0.5 .
1 315 ALA 3 0 18 0 0.0 -0.5 .
1 316 ALA 3 2 21 1 4.8 -0.2 .
1 317 LEU 7 5 45 4 8.9 0.0 .
1 318 ILE 6 4 67 2 3.0 -0.3 .
1 319 ASP 4 0 21 0 0.0 -0.5 .
1 320 SER 4 0 17 0 0.0 -0.5 .
1 321 GLU 5 0 35 0 0.0 -0.5 .
1 322 ILE 6 4 58 2 3.4 -0.3 .
1 323 ASP 4 0 25 0 0.0 -0.5 .
1 324 VAL 5 0 33 0 0.0 -0.5 .
1 325 LEU 7 3 60 2 3.3 -0.3 .
1 326 ARG 7 0 63 0 0.0 -0.5 .
1 327 ARG 7 0 25 0 0.0 -0.5 .
1 328 GLN 7 0 32 0 0.0 -0.5 .
1 329 ALA 3 3 21 1 4.8 -0.2 .
1 330 ALA 3 3 28 2 7.1 -0.1 .
1 331 GLN 7 0 15 0 0.0 -0.5 .
1 332 ARG 7 0 18 0 0.0 -0.5 .
1 333 PHE 7 0 12 0 0.0 -0.5 .
1 334 GLY 3 0 5 0 0.0 -0.5 .
1 335 GLY 3 0 9 0 0.0 -0.5 .
1 336 ASN 6 0 14 0 0.0 -0.5 .
1 337 GLU 5 0 7 0 0.0 -0.5 .
1 338 LYS 7 0 17 0 0.0 -0.5 .
1 339 GLN 7 0 17 0 0.0 -0.5 .
1 340 ALA 3 4 29 4 13.8 0.3 .
1 341 LEU 7 3 29 2 6.9 -0.1 .
1 342 GLU 5 0 10 0 0.0 -0.5 .
1 343 LEU 7 8 44 6 13.6 0.3 .
1 344 PRO 5 0 21 0 0.0 -0.5 .
1 345 ARG 7 0 39 0 0.0 -0.5 .
1 346 GLU 5 0 20 0 0.0 -0.5 .
1 347 LEU 7 5 38 3 7.9 -0.0 .
1 348 PHE 7 0 63 0 0.0 -0.5 .
1 349 GLU 5 0 35 0 0.0 -0.5 .
1 350 GLU 5 0 14 0 0.0 -0.5 .
1 351 GLN 7 0 34 0 0.0 -0.5 .
1 352 ALA 3 5 36 3 8.3 -0.0 .
1 353 LYS 7 0 51 0 0.0 -0.5 .
1 354 ARG 7 0 39 0 0.0 -0.5 .
1 355 ARG 7 0 38 0 0.0 -0.5 .
1 356 VAL 5 6 51 4 7.8 -0.0 .
1 357 VAL 5 0 48 0 0.0 -0.5 .
1 358 VAL 5 2 46 2 4.3 -0.2 .
1 359 GLY 3 0 18 0 0.0 -0.5 .
1 360 LEU 7 5 51 5 9.8 0.1 .
1 361 LEU 7 0 65 0 0.0 -0.5 .
1 362 LEU 7 17 56 11 19.6 0.6 .
1 363 GLY 3 0 17 0 0.0 -0.5 .
1 364 GLU 5 0 39 0 0.0 -0.5 .
1 365 VAL 5 3 50 3 6.0 -0.1 .
1 366 ILE 6 1 50 1 2.0 -0.4 .
1 367 ARG 7 0 22 0 0.0 -0.5 .
1 368 THR 4 0 21 0 0.0 -0.5 .
1 369 ASN 6 0 25 0 0.0 -0.5 .
1 370 GLU 5 0 9 0 0.0 -0.5 .
1 371 LEU 7 8 58 5 8.6 0.0 .
1 372 LYS 7 0 21 0 0.0 -0.5 .
1 373 ALA 3 2 27 2 7.4 -0.1 .
1 374 ASP 4 0 19 0 0.0 -0.5 .
1 375 GLU 5 0 13 0 0.0 -0.5 .
1 376 GLU 5 0 13 0 0.0 -0.5 .
1 377 ARG 7 0 32 0 0.0 -0.5 .
1 378 VAL 5 8 43 5 11.6 0.2 .
1 379 LYS 7 0 23 0 0.0 -0.5 .
1 380 GLY 3 0 12 0 0.0 -0.5 .
1 381 LEU 7 10 32 5 15.6 0.4 .
1 382 ILE 6 4 42 3 7.1 -0.1 .
1 383 GLU 5 0 19 0 0.0 -0.5 .
1 384 GLU 5 0 18 0 0.0 -0.5 .
1 385 MET 6 7 31 6 19.4 0.6 .
1 386 ALA 3 4 29 4 13.8 0.3 .
1 387 SER 4 0 11 0 0.0 -0.5 .
1 388 ALA 3 0 12 0 0.0 -0.5 .
1 389 TYR 6 1 22 1 4.5 -0.2 .
1 390 GLU 5 0 8 0 0.0 -0.5 .
1 391 ASP 4 0 10 0 0.0 -0.5 .
1 392 PRO 5 0 22 0 0.0 -0.5 .
1 393 LYS 7 0 18 0 0.0 -0.5 .
1 394 GLU 5 0 16 0 0.0 -0.5 .
1 395 VAL 5 8 49 6 12.2 0.2 .
1 396 ILE 6 3 34 2 5.9 -0.1 .
1 397 GLU 5 0 24 0 0.0 -0.5 .
1 398 PHE 7 1 20 0 0.0 -0.5 .
1 399 TYR 6 3 36 3 8.3 -0.0 .
1 400 SER 4 0 9 0 0.0 -0.5 .
1 401 LYS 7 0 13 0 0.0 -0.5 .
1 402 ASN 6 0 9 0 0.0 -0.5 .
1 403 LYS 7 0 14 0 0.0 -0.5 .
1 404 GLU 5 0 15 0 0.0 -0.5 .
1 405 LEU 7 9 35 4 11.4 0.2 .
1 406 MET 6 4 31 2 6.5 -0.1 .
1 407 ASP 4 0 21 0 0.0 -0.5 .
1 408 ASN 6 0 17 0 0.0 -0.5 .
1 409 MET 6 12 47 8 17.0 0.5 .
1 410 ARG 7 0 35 0 0.0 -0.5 .
1 411 ASN 6 0 18 0 0.0 -0.5 .
1 412 VAL 5 4 33 2 6.1 -0.1 .
1 413 ALA 3 6 33 4 12.1 0.2 .
1 414 LEU 7 5 51 3 5.9 -0.1 .
1 415 GLU 5 0 31 0 0.0 -0.5 .
1 416 GLU 5 0 33 0 0.0 -0.5 .
1 417 GLN 7 0 41 0 0.0 -0.5 .
1 418 ALA 3 6 38 5 13.2 0.3 .
1 419 VAL 5 10 50 5 10.0 0.1 .
1 420 GLU 5 0 30 0 0.0 -0.5 .
1 421 ALA 3 3 23 3 13.0 0.3 .
1 422 VAL 5 14 56 9 16.1 0.4 .
1 423 LEU 7 12 54 10 18.5 0.6 .
1 424 ALA 3 0 14 0 0.0 -0.5 .
1 425 LYS 7 0 37 0 0.0 -0.5 .
1 426 ALA 3 7 30 4 13.3 0.3 .
1 427 LYS 7 0 26 0 0.0 -0.5 .
1 428 VAL 5 5 36 4 11.1 0.2 .
1 429 THR 4 0 12 0 0.0 -0.5 .
1 430 GLU 5 0 22 0 0.0 -0.5 .
1 431 LYS 7 0 28 0 0.0 -0.5 .
1 432 GLU 5 0 16 0 0.0 -0.5 .
1 433 THR 4 0 29 0 0.0 -0.5 .
1 434 THR 4 0 10 0 0.0 -0.5 .
1 435 PHE 7 0 45 0 0.0 -0.5 .
1 436 ASN 6 0 26 0 0.0 -0.5 .
1 437 GLU 5 0 24 0 0.0 -0.5 .
1 438 LEU 7 11 56 7 12.5 0.2 .
1 439 MET 6 8 49 5 10.2 0.1 .
1 440 ASN 6 0 7 0 0.0 -0.5 .
1 441 GLN 7 0 7 0 0.0 -0.5 .
1 442 GLN 7 0 9 0 0.0 -0.5 .
1 443 ALA 3 0 5 0 0.0 -0.5 .
2 2 MET 6 0 5 0 0.0 -0.5 .
2 3 LYS 7 0 10 0 0.0 -0.5 .
2 4 GLN 7 0 8 0 0.0 -0.5 .
2 5 SER 4 0 6 0 0.0 -0.5 .
2 6 THR 4 0 6 0 0.0 -0.5 .
2 7 ILE 6 0 25 0 0.0 -0.5 .
2 8 ALA 3 0 8 0 0.0 -0.5 .
2 9 LEU 7 0 33 0 0.0 -0.5 .
2 10 ALA 3 0 11 0 0.0 -0.5 .
2 11 LEU 7 0 10 0 0.0 -0.5 .
2 12 LEU 7 0 11 0 0.0 -0.5 .
2 13 PRO 5 0 8 0 0.0 -0.5 .
2 14 LEU 7 0 43 0 0.0 -0.5 .
2 15 LEU 7 0 22 0 0.0 -0.5 .
2 16 PHE 7 0 22 0 0.0 -0.5 .
2 17 THR 4 0 17 0 0.0 -0.5 .
2 18 PRO 5 0 8 0 0.0 -0.5 .
2 19 VAL 5 0 8 0 0.0 -0.5 .
2 20 THR 4 0 8 0 0.0 -0.5 .
2 21 LYS 7 0 8 0 0.0 -0.5 .
2 22 ALA 3 0 7 0 0.0 -0.5 .
2 23 ARG 7 0 7 0 0.0 -0.5 .
2 24 THR 4 0 8 0 0.0 -0.5 .
2 25 PRO 5 0 6 0 0.0 -0.5 .
2 26 GLU 5 0 7 0 0.0 -0.5 .
2 27 MET 6 0 10 0 0.0 -0.5 .
2 28 PRO 5 0 7 0 0.0 -0.5 .
2 29 VAL 5 0 7 0 0.0 -0.5 .
2 30 LEU 7 0 9 0 0.0 -0.5 .
2 31 GLU 5 0 9 0 0.0 -0.5 .
2 32 ASN 6 0 9 0 0.0 -0.5 .
2 33 ARG 7 0 8 0 0.0 -0.5 .
2 34 ALA 3 0 7 0 0.0 -0.5 .
2 35 ALA 3 0 6 0 0.0 -0.5 .
2 36 GLN 7 0 8 0 0.0 -0.5 .
2 37 GLY 3 0 8 0 0.0 -0.5 .
2 38 ASP 4 0 5 0 0.0 -0.5 .
2 39 ILE 6 0 6 0 0.0 -0.5 .
2 40 THR 4 0 9 0 0.0 -0.5 .
2 41 ALA 3 0 8 0 0.0 -0.5 .
2 42 PRO 5 0 6 0 0.0 -0.5 .
2 43 GLY 3 0 6 0 0.0 -0.5 .
2 44 GLY 3 0 6 0 0.0 -0.5 .
2 45 ALA 3 0 6 0 0.0 -0.5 .
2 46 ARG 7 0 8 0 0.0 -0.5 .
2 47 ARG 7 0 10 0 0.0 -0.5 .
2 48 LEU 7 0 9 0 0.0 -0.5 .
2 49 THR 4 0 8 0 0.0 -0.5 .
2 50 GLY 3 0 7 0 0.0 -0.5 .
2 51 ASP 4 0 7 0 0.0 -0.5 .
2 52 GLN 7 0 9 0 0.0 -0.5 .
2 53 THR 4 0 11 0 0.0 -0.5 .
2 54 ALA 3 0 10 0 0.0 -0.5 .
2 55 ALA 3 0 7 0 0.0 -0.5 .
2 56 LEU 7 0 7 0 0.0 -0.5 .
2 57 ARG 7 0 7 0 0.0 -0.5 .
2 58 ASP 4 0 6 0 0.0 -0.5 .
2 59 SER 4 0 7 0 0.0 -0.5 .
2 60 LEU 7 0 9 0 0.0 -0.5 .
2 61 SER 4 0 9 0 0.0 -0.5 .
2 62 ASP 4 0 8 0 0.0 -0.5 .
2 63 LYS 7 0 9 0 0.0 -0.5 .
2 64 PRO 5 0 8 0 0.0 -0.5 .
2 65 ALA 3 0 6 0 0.0 -0.5 .
2 66 LYS 7 0 6 0 0.0 -0.5 .
2 67 ASN 6 0 7 0 0.0 -0.5 .
2 68 ILE 6 0 9 0 0.0 -0.5 .
2 69 ILE 6 0 10 0 0.0 -0.5 .
2 70 LEU 7 0 8 0 0.0 -0.5 .
2 71 LEU 7 0 7 0 0.0 -0.5 .
2 72 ILE 6 0 10 0 0.0 -0.5 .
2 73 GLY 3 0 9 0 0.0 -0.5 .
2 74 ASP 4 0 7 0 0.0 -0.5 .
2 75 GLY 3 0 7 0 0.0 -0.5 .
2 76 MET 6 0 7 0 0.0 -0.5 .
2 77 GLY 3 0 7 0 0.0 -0.5 .
2 78 ASP 4 0 7 0 0.0 -0.5 .
2 79 SER 4 0 8 0 0.0 -0.5 .
2 80 GLU 5 0 9 0 0.0 -0.5 .
2 81 ILE 6 0 10 0 0.0 -0.5 .
2 82 THR 4 0 9 0 0.0 -0.5 .
2 83 ALA 3 0 8 0 0.0 -0.5 .
2 84 ALA 3 0 6 0 0.0 -0.5 .
2 85 ARG 7 0 6 0 0.0 -0.5 .
2 86 ASN 6 0 8 0 0.0 -0.5 .
2 87 TYR 6 0 9 0 0.0 -0.5 .
2 88 ALA 3 0 8 0 0.0 -0.5 .
2 89 GLU 5 0 7 0 0.0 -0.5 .
2 90 GLY 3 0 7 0 0.0 -0.5 .
2 91 ALA 3 0 6 0 0.0 -0.5 .
2 92 GLY 3 0 6 0 0.0 -0.5 .
2 93 GLY 3 0 6 0 0.0 -0.5 .
2 94 PHE 7 0 7 0 0.0 -0.5 .
2 95 PHE 7 0 16 0 0.0 -0.5 .
2 96 LYS 7 0 11 0 0.0 -0.5 .
2 97 GLY 3 0 8 0 0.0 -0.5 .
2 98 ILE 6 0 18 0 0.0 -0.5 .
2 99 ASP 4 0 10 0 0.0 -0.5 .
2 100 ALA 3 0 13 0 0.0 -0.5 .
2 101 LEU 7 0 10 0 0.0 -0.5 .
2 102 PRO 5 0 10 0 0.0 -0.5 .
2 103 LEU 7 0 9 0 0.0 -0.5 .
2 104 THR 4 0 9 0 0.0 -0.5 .
2 105 GLY 3 0 6 0 0.0 -0.5 .
2 106 GLN 7 0 7 0 0.0 -0.5 .
2 107 TYR 6 0 11 0 0.0 -0.5 .
2 108 THR 4 0 7 0 0.0 -0.5 .
2 109 HIS 6 0 17 0 0.0 -0.5 .
2 110 TYR 6 0 18 0 0.0 -0.5 .
2 111 ALA 3 0 8 0 0.0 -0.5 .
2 112 LEU 7 0 29 0 0.0 -0.5 .
2 113 ASN 6 0 11 0 0.0 -0.5 .
2 114 LYS 7 0 15 0 0.0 -0.5 .
2 115 LYS 7 0 10 0 0.0 -0.5 .
2 116 THR 4 0 9 0 0.0 -0.5 .
2 117 GLY 3 0 7 0 0.0 -0.5 .
2 118 LYS 7 0 8 0 0.0 -0.5 .
2 119 PRO 5 0 10 0 0.0 -0.5 .
2 120 ASP 4 0 11 0 0.0 -0.5 .
2 121 TYR 6 0 9 0 0.0 -0.5 .
2 122 VAL 5 0 10 0 0.0 -0.5 .
2 123 THR 4 0 9 0 0.0 -0.5 .
2 124 ASP 4 0 7 0 0.0 -0.5 .
2 125 SER 4 0 7 0 0.0 -0.5 .
2 126 ALA 3 0 7 0 0.0 -0.5 .
2 127 ALA 3 0 15 0 0.0 -0.5 .
2 128 SER 4 0 19 0 0.0 -0.5 .
2 129 ALA 3 0 16 0 0.0 -0.5 .
2 130 THR 4 0 7 0 0.0 -0.5 .
2 131 ALA 3 0 13 0 0.0 -0.5 .
2 132 TRP 10 0 23 0 0.0 -0.5 .
2 133 SER 4 0 7 0 0.0 -0.5 .
2 134 THR 4 0 8 0 0.0 -0.5 .
2 135 GLY 3 0 7 0 0.0 -0.5 .
2 136 VAL 5 0 7 0 0.0 -0.5 .
2 137 LYS 7 0 9 0 0.0 -0.5 .
2 138 THR 4 0 9 0 0.0 -0.5 .
2 139 TYR 6 0 9 0 0.0 -0.5 .
2 140 ASN 6 0 9 0 0.0 -0.5 .
2 141 GLY 3 0 7 0 0.0 -0.5 .
2 142 ALA 3 0 6 0 0.0 -0.5 .
2 143 LEU 7 0 7 0 0.0 -0.5 .
2 144 GLY 3 0 7 0 0.0 -0.5 .
2 145 VAL 5 0 6 0 0.0 -0.5 .
2 146 ASP 4 0 5 0 0.0 -0.5 .
2 147 ILE 6 0 6 0 0.0 -0.5 .
2 148 HIS 6 0 6 0 0.0 -0.5 .
2 149 GLU 5 0 7 0 0.0 -0.5 .
2 150 LYS 7 0 7 0 0.0 -0.5 .
2 151 ASP 4 0 2 0 0.0 -0.5 .
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