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 |
|
|
502883 |
2lav   |
16715 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_2lav
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 20
_NOE_completeness_stats.Residue_count 361
_NOE_completeness_stats.Total_atom_count 5859
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 2055
_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 48.7
_NOE_completeness_stats.Constraint_unexpanded_count 4916
_NOE_completeness_stats.Constraint_count 4916
_NOE_completeness_stats.Constraint_exp_unfiltered_count 4274
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 292
_NOE_completeness_stats.Constraint_intraresidue_count 516
_NOE_completeness_stats.Constraint_surplus_count 2
_NOE_completeness_stats.Constraint_observed_count 4106
_NOE_completeness_stats.Constraint_expected_count 4272
_NOE_completeness_stats.Constraint_matched_count 2080
_NOE_completeness_stats.Constraint_unmatched_count 2026
_NOE_completeness_stats.Constraint_exp_nonobs_count 2192
_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 1317 1502 948 63.1 1.0 >sigma
medium-range 984 928 395 42.6 -0.4 .
long-range 1805 1842 737 40.0 -0.6 .
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 21 8 0 0 0 0 0 0 2 2 . 4 38.1 38.1
shell 2.00 2.50 322 219 0 0 56 0 67 6 14 42 . 34 68.0 66.2
shell 2.50 3.00 786 484 0 0 15 0 156 8 39 115 . 151 61.6 63.0
shell 3.00 3.50 1175 577 0 0 0 0 51 6 132 137 . 251 49.1 55.9
shell 3.50 4.00 1968 792 0 0 0 0 27 4 272 138 . 351 40.2 48.7
shell 4.00 4.50 3134 855 0 0 0 0 1 0 282 108 . 464 27.3 39.6
shell 4.50 5.00 4573 638 0 0 0 0 0 0 189 57 . 392 14.0 29.8
shell 5.00 5.50 5864 294 0 0 0 0 0 0 5 27 . 262 5.0 21.7
shell 5.50 6.00 6972 167 0 0 0 0 0 0 0 5 . 162 2.4 16.3
shell 6.00 6.50 7682 63 0 0 0 0 0 0 0 0 . 63 0.8 12.6
shell 6.50 7.00 8567 9 0 0 0 0 0 0 0 0 . 9 0.1 10.0
shell 7.00 7.50 9358 0 0 0 0 0 0 0 0 0 . 0 0.0 8.1
shell 7.50 8.00 10463 0 0 0 0 0 0 0 0 0 . 0 0.0 6.7
shell 8.00 8.50 11230 0 0 0 0 0 0 0 0 0 . 0 0.0 5.7
shell 8.50 9.00 12388 0 0 0 0 0 0 0 0 0 . 0 0.0 4.9
sums . . 84503 4106 0 0 71 0 302 24 935 631 . 2,143 . .
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 -2.3 >sigma
1 2 PRO 5 0 7 0 0.0 -2.3 >sigma
1 3 ARG 7 0 8 0 0.0 -2.3 >sigma
1 4 VAL 5 0 10 0 0.0 -2.3 >sigma
1 5 LYS 7 0 9 0 0.0 -2.3 >sigma
1 6 ALA 3 2 8 2 25.0 -1.1 >sigma
1 7 ALA 3 4 7 4 57.1 0.4 .
1 8 GLN 7 2 7 2 28.6 -1.0 .
1 9 ALA 3 0 7 0 0.0 -2.3 >sigma
1 10 GLY 3 1 6 1 16.7 -1.5 >sigma
1 11 ARG 7 1 8 1 12.5 -1.7 >sigma
1 12 GLN 7 0 9 0 0.0 -2.3 >sigma
1 13 SER 4 0 8 0 0.0 -2.3 >sigma
1 14 SER 4 0 8 0 0.0 -2.3 >sigma
1 15 ALA 3 2 7 2 28.6 -1.0 .
1 16 LYS 7 2 8 2 25.0 -1.1 >sigma
1 17 ARG 7 0 10 0 0.0 -2.3 >sigma
1 18 HIS 6 0 7 0 0.0 -2.3 >sigma
1 19 LEU 7 0 7 0 0.0 -2.3 >sigma
1 20 ALA 3 3 8 3 37.5 -0.5 .
1 21 GLU 5 8 8 8 100.0 2.4 >sigma
1 22 GLN 7 11 12 9 75.0 1.2 >sigma
1 23 PHE 7 25 25 14 56.0 0.3 .
1 24 ALA 3 13 12 8 66.7 0.8 .
1 25 VAL 5 31 22 17 77.3 1.3 >sigma
1 26 GLY 3 24 15 7 46.7 -0.1 .
1 27 GLU 5 28 15 9 60.0 0.5 .
1 28 ILE 6 33 40 19 47.5 -0.1 .
1 29 ILE 6 35 34 16 47.1 -0.1 .
1 30 THR 4 19 15 10 66.7 0.8 .
1 31 ASP 4 28 25 10 40.0 -0.4 .
1 32 MET 6 18 12 9 75.0 1.2 >sigma
1 33 ALA 3 14 20 10 50.0 0.0 .
1 34 LYS 7 16 9 8 88.9 1.9 >sigma
1 35 LYS 7 19 20 11 55.0 0.3 .
1 36 GLU 5 20 24 10 41.7 -0.3 .
1 37 TRP 10 32 43 18 41.9 -0.3 .
1 38 LYS 7 36 46 17 37.0 -0.6 .
1 39 VAL 5 61 30 18 60.0 0.5 .
1 40 GLY 3 31 21 14 66.7 0.8 .
1 41 LEU 7 17 25 11 44.0 -0.2 .
1 42 PRO 5 4 22 4 18.2 -1.4 >sigma
1 43 ILE 6 28 27 14 51.9 0.1 .
1 44 GLY 3 17 11 8 72.7 1.1 >sigma
1 45 GLN 7 7 6 6 100.0 2.4 >sigma
1 46 GLY 3 5 6 4 66.7 0.8 .
1 47 GLY 3 4 6 2 33.3 -0.7 .
1 48 PHE 7 6 7 5 71.4 1.0 >sigma
1 49 GLY 3 13 10 6 60.0 0.5 .
1 50 CYS 4 12 11 5 45.5 -0.2 .
1 51 ILE 6 37 40 17 42.5 -0.3 .
1 52 TYR 6 44 34 19 55.9 0.3 .
1 53 LEU 7 50 46 23 50.0 0.0 .
1 54 ALA 3 31 34 16 47.1 -0.1 .
1 55 ASP 4 18 26 11 42.3 -0.3 .
1 56 MET 6 9 11 5 45.5 -0.2 .
1 57 ASN 6 20 22 8 36.4 -0.6 .
1 58 SER 4 5 6 1 16.7 -1.5 >sigma
1 59 SER 4 4 7 3 42.9 -0.3 .
1 60 GLU 5 8 9 7 77.8 1.3 >sigma
1 61 SER 4 6 14 5 35.7 -0.6 .
1 62 VAL 5 36 32 18 56.3 0.3 .
1 63 GLY 3 12 7 5 71.4 1.0 >sigma
1 64 SER 4 7 6 4 66.7 0.8 .
1 65 ASP 4 8 8 6 75.0 1.2 >sigma
1 66 ALA 3 23 24 14 58.3 0.4 .
1 67 PRO 5 5 17 3 17.6 -1.5 >sigma
1 68 CYS 4 26 24 13 54.2 0.2 .
1 69 VAL 5 61 37 26 70.3 1.0 .
1 70 VAL 5 76 51 33 64.7 0.7 .
1 71 LYS 7 34 35 12 34.3 -0.7 .
1 72 VAL 5 52 31 22 71.0 1.0 >sigma
1 73 GLU 5 29 26 12 46.2 -0.1 .
1 74 PRO 5 7 15 4 26.7 -1.0 >sigma
1 75 SER 4 16 19 5 26.3 -1.1 >sigma
1 76 ASP 4 11 10 8 80.0 1.4 >sigma
1 77 ASN 6 9 10 6 60.0 0.5 .
1 78 GLY 3 9 14 5 35.7 -0.6 .
1 79 PRO 5 12 45 6 13.3 -1.7 >sigma
1 80 LEU 7 51 42 19 45.2 -0.2 .
1 81 PHE 7 23 34 13 38.2 -0.5 .
1 82 THR 4 31 37 17 45.9 -0.1 .
1 83 GLU 5 29 37 12 32.4 -0.8 .
1 84 LEU 7 40 64 22 34.4 -0.7 .
1 85 LYS 7 18 29 10 34.5 -0.7 .
1 86 PHE 7 20 49 11 22.4 -1.2 >sigma
1 87 TYR 6 20 49 14 28.6 -1.0 .
1 88 GLN 7 20 24 7 29.2 -0.9 .
1 89 ARG 7 14 20 10 50.0 0.0 .
1 90 ALA 3 14 21 9 42.9 -0.3 .
1 91 ALA 3 17 27 12 44.4 -0.2 .
1 92 LYS 7 18 35 11 31.4 -0.8 .
1 93 PRO 5 8 19 5 26.3 -1.1 >sigma
1 94 GLU 5 14 19 11 57.9 0.4 .
1 95 GLN 7 18 25 12 48.0 -0.1 .
1 96 ILE 6 52 38 26 68.4 0.9 .
1 97 GLN 7 22 20 13 65.0 0.7 .
1 98 LYS 7 13 18 8 44.4 -0.2 .
1 99 TRP 10 19 39 10 25.6 -1.1 >sigma
1 100 ILE 6 43 43 23 53.5 0.2 .
1 101 ARG 7 15 16 10 62.5 0.6 .
1 102 THR 4 10 17 9 52.9 0.2 .
1 103 ARG 7 17 31 13 41.9 -0.3 .
1 104 LYS 7 12 10 7 70.0 1.0 .
1 105 LEU 7 30 30 17 56.7 0.4 .
1 106 LYS 7 10 10 7 70.0 1.0 .
1 107 TYR 6 14 14 9 64.3 0.7 .
1 108 LEU 7 55 50 30 60.0 0.5 .
1 109 GLY 3 15 18 8 44.4 -0.2 .
1 110 VAL 5 49 39 21 53.8 0.2 .
1 111 PRO 5 4 38 3 7.9 -1.9 >sigma
1 112 LYS 7 17 16 10 62.5 0.6 .
1 113 TYR 6 24 46 8 17.4 -1.5 >sigma
1 114 TRP 10 23 36 14 38.9 -0.5 .
1 115 GLY 3 18 18 10 55.6 0.3 .
1 116 SER 4 28 24 13 54.2 0.2 .
1 117 GLY 3 16 14 7 50.0 0.0 .
1 118 LEU 7 23 26 8 30.8 -0.9 .
1 119 HIS 6 21 10 7 70.0 1.0 .
1 120 ASP 4 13 8 5 62.5 0.6 .
1 121 LYS 7 16 14 5 35.7 -0.6 .
1 122 ASN 6 6 8 2 25.0 -1.1 >sigma
1 123 GLY 3 10 7 4 57.1 0.4 .
1 124 LYS 7 19 15 10 66.7 0.8 .
1 125 SER 4 15 14 7 50.0 0.0 .
1 126 TYR 6 34 21 11 52.4 0.2 .
1 127 ARG 7 28 50 12 24.0 -1.2 >sigma
1 128 PHE 7 56 53 30 56.6 0.4 .
1 129 MET 6 49 45 20 44.4 -0.2 .
1 130 ILE 6 67 57 31 54.4 0.2 .
1 131 MET 6 34 21 11 52.4 0.2 .
1 132 ASP 4 20 17 12 70.6 1.0 >sigma
1 133 ARG 7 27 18 10 55.6 0.3 .
1 134 PHE 7 25 43 13 30.2 -0.9 .
1 135 GLY 3 18 16 9 56.3 0.3 .
1 136 SER 4 18 14 8 57.1 0.4 .
1 137 ASP 4 30 21 13 61.9 0.6 .
1 138 LEU 7 72 64 34 53.1 0.2 .
1 139 GLN 7 27 30 14 46.7 -0.1 .
1 140 LYS 7 16 19 12 63.2 0.7 .
1 141 ILE 6 48 47 25 53.2 0.2 .
1 142 TYR 6 23 46 14 30.4 -0.9 .
1 143 GLU 5 16 17 11 64.7 0.7 .
1 144 ALA 3 12 14 9 64.3 0.7 .
1 145 ASN 6 17 18 11 61.1 0.6 .
1 146 ALA 3 11 12 7 58.3 0.4 .
1 147 LYS 7 13 20 8 40.0 -0.4 .
1 148 ARG 7 16 15 7 46.7 -0.1 .
1 149 PHE 7 39 41 14 34.1 -0.7 .
1 150 SER 4 15 15 9 60.0 0.5 .
1 151 ARG 7 35 27 21 77.8 1.3 >sigma
1 152 LYS 7 24 16 11 68.8 0.9 .
1 153 THR 4 27 33 14 42.4 -0.3 .
1 154 VAL 5 51 43 28 65.1 0.7 .
1 155 LEU 7 51 40 27 67.5 0.9 .
1 156 GLN 7 28 22 10 45.5 -0.2 .
1 157 LEU 7 72 40 29 72.5 1.1 >sigma
1 158 SER 4 22 25 12 48.0 -0.1 .
1 159 LEU 7 9 37 4 10.8 -1.8 >sigma
1 160 ARG 7 25 22 10 45.5 -0.2 .
1 161 ILE 6 52 54 32 59.3 0.5 .
1 162 LEU 7 57 48 31 64.6 0.7 .
1 163 ASP 4 17 18 7 38.9 -0.5 .
1 164 ILE 6 41 48 23 47.9 -0.1 .
1 165 LEU 7 61 51 31 60.8 0.5 .
1 166 GLU 5 12 21 7 33.3 -0.7 .
1 167 TYR 6 29 39 15 38.5 -0.5 .
1 168 ILE 6 45 51 24 47.1 -0.1 .
1 169 HIS 6 14 27 11 40.7 -0.4 .
1 170 GLU 5 7 12 4 33.3 -0.7 .
1 171 HIS 6 12 17 8 47.1 -0.1 .
1 172 GLU 5 14 16 5 31.3 -0.8 .
1 173 TYR 6 29 43 16 37.2 -0.6 .
1 174 VAL 5 41 24 18 75.0 1.2 >sigma
1 175 HIS 6 25 31 14 45.2 -0.2 .
1 176 GLY 3 15 17 8 47.1 -0.1 .
1 177 ASP 4 16 14 10 71.4 1.0 >sigma
1 178 ILE 6 61 48 30 62.5 0.6 .
1 179 LYS 7 27 27 13 48.1 -0.0 .
1 180 ALA 3 28 36 18 50.0 0.0 .
1 181 SER 4 15 27 11 40.7 -0.4 .
1 182 ASN 6 22 15 9 60.0 0.5 .
1 183 LEU 7 75 64 37 57.8 0.4 .
1 184 LEU 7 61 56 33 58.9 0.5 .
1 185 LEU 7 59 47 31 66.0 0.8 .
1 186 ASN 6 24 29 12 41.4 -0.4 .
1 187 TYR 6 20 17 8 47.1 -0.1 .
1 188 LYS 7 12 14 9 64.3 0.7 .
1 189 ASN 6 15 27 8 29.6 -0.9 .
1 190 PRO 5 11 16 6 37.5 -0.5 .
1 191 ASP 4 18 12 9 75.0 1.2 >sigma
1 192 GLN 7 21 32 12 37.5 -0.5 .
1 193 VAL 5 77 47 37 78.7 1.4 >sigma
1 194 TYR 6 32 46 14 30.4 -0.9 .
1 195 LEU 7 64 47 24 51.1 0.1 .
1 196 VAL 5 46 38 19 50.0 0.0 .
1 197 ASP 4 11 15 5 33.3 -0.7 .
1 198 TYR 6 29 41 13 31.7 -0.8 .
1 199 GLY 3 27 21 8 38.1 -0.5 .
1 200 LEU 7 31 34 10 29.4 -0.9 .
1 201 ALA 3 17 27 6 22.2 -1.3 >sigma
1 202 TYR 6 30 25 11 44.0 -0.2 .
1 203 ARG 7 17 29 10 34.5 -0.7 .
1 204 TYR 6 19 39 12 30.8 -0.9 .
1 205 CYS 4 14 19 6 31.6 -0.8 .
1 206 PRO 5 3 12 2 16.7 -1.5 >sigma
1 207 GLU 5 12 10 5 50.0 0.0 .
1 208 GLY 3 12 6 6 100.0 2.4 >sigma
1 209 VAL 5 18 10 8 80.0 1.4 >sigma
1 210 HIS 6 8 11 3 27.3 -1.0 >sigma
1 211 LYS 7 1 21 1 4.8 -2.1 >sigma
1 212 GLU 5 5 7 4 57.1 0.4 .
1 213 TYR 6 20 18 11 61.1 0.6 .
1 214 LYS 7 17 9 8 88.9 1.9 >sigma
1 215 GLU 5 19 16 9 56.3 0.3 .
1 216 ASP 4 15 12 9 75.0 1.2 >sigma
1 217 PRO 5 4 9 4 44.4 -0.2 .
1 218 LYS 7 8 9 7 77.8 1.3 >sigma
1 219 ARG 7 12 13 8 61.5 0.6 .
1 220 CYS 4 9 15 5 33.3 -0.7 .
1 221 HIS 6 17 10 5 50.0 0.0 .
1 222 ASP 4 15 14 6 42.9 -0.3 .
1 223 GLY 3 13 8 4 50.0 0.0 .
1 224 THR 4 14 15 7 46.7 -0.1 .
1 225 ILE 6 41 37 28 75.7 1.2 >sigma
1 226 GLU 5 34 33 21 63.6 0.7 .
1 227 PHE 7 20 34 9 26.5 -1.1 >sigma
1 228 THR 4 24 18 11 61.1 0.6 .
1 229 SER 4 13 20 6 30.0 -0.9 .
1 230 ILE 6 27 23 10 43.5 -0.3 .
1 231 ASP 4 20 23 13 56.5 0.3 .
1 232 ALA 3 22 15 12 80.0 1.4 >sigma
1 233 HIS 6 21 24 14 58.3 0.4 .
1 234 ASN 6 18 15 12 80.0 1.4 >sigma
1 235 GLY 3 12 11 9 81.8 1.5 >sigma
1 236 VAL 5 50 32 27 84.4 1.6 >sigma
1 237 ALA 3 16 16 9 56.3 0.3 .
1 238 PRO 5 0 11 0 0.0 -2.3 >sigma
1 239 SER 4 4 15 3 20.0 -1.4 >sigma
1 240 ARG 7 0 24 0 0.0 -2.3 >sigma
1 241 ARG 7 20 23 8 34.8 -0.7 .
1 242 GLY 3 18 21 11 52.4 0.2 .
1 243 ASP 4 27 19 11 57.9 0.4 .
1 244 LEU 7 60 37 25 67.6 0.9 .
1 245 GLU 5 27 28 11 39.3 -0.5 .
1 246 ILE 6 42 42 20 47.6 -0.1 .
1 247 LEU 7 64 46 29 63.0 0.7 .
1 248 GLY 3 22 23 10 43.5 -0.3 .
1 249 TYR 6 32 40 16 40.0 -0.4 .
1 250 CYS 4 21 18 10 55.6 0.3 .
1 251 MET 6 45 39 27 69.2 0.9 .
1 252 ILE 6 59 48 30 62.5 0.6 .
1 253 GLN 7 31 32 21 65.6 0.8 .
1 254 TRP 10 29 34 14 41.2 -0.4 .
1 255 LEU 7 50 51 31 60.8 0.5 .
1 256 THR 4 19 19 11 57.9 0.4 .
1 257 GLY 3 12 12 9 75.0 1.2 >sigma
1 258 HIS 6 10 10 7 70.0 1.0 .
1 259 LEU 7 52 49 24 49.0 -0.0 .
1 260 PRO 5 9 26 6 23.1 -1.2 >sigma
1 261 TRP 10 43 64 19 29.7 -0.9 .
1 262 GLU 5 20 22 11 50.0 0.0 .
1 263 ASP 4 9 8 6 75.0 1.2 >sigma
1 264 ASN 6 21 24 10 41.7 -0.3 .
1 265 LEU 7 51 31 25 80.6 1.5 >sigma
1 266 LYS 7 12 9 7 77.8 1.3 >sigma
1 267 ASP 4 17 21 9 42.9 -0.3 .
1 268 PRO 5 12 14 7 50.0 0.0 .
1 269 LYS 7 14 16 10 62.5 0.6 .
1 270 TYR 6 25 37 12 32.4 -0.8 .
1 271 VAL 5 71 50 36 72.0 1.1 >sigma
1 272 ARG 7 22 27 12 44.4 -0.2 .
1 273 ASP 4 17 15 11 73.3 1.1 >sigma
1 274 SER 4 22 26 11 42.3 -0.3 .
1 275 LYS 7 22 32 14 43.8 -0.3 .
1 276 ILE 6 32 25 13 52.0 0.1 .
1 277 ARG 7 18 17 11 64.7 0.7 .
1 278 TYR 6 26 38 15 39.5 -0.5 .
1 279 ARG 7 23 29 13 44.8 -0.2 .
1 280 GLU 5 18 17 10 58.8 0.5 .
1 281 ASN 6 17 12 9 75.0 1.2 >sigma
1 282 ILE 6 50 41 24 58.5 0.4 .
1 283 ALA 3 19 13 10 76.9 1.3 >sigma
1 284 SER 4 15 16 9 56.3 0.3 .
1 285 LEU 7 58 47 25 53.2 0.2 .
1 286 MET 6 37 40 20 50.0 0.0 .
1 287 ASP 4 17 12 8 66.7 0.8 .
1 288 LYS 7 16 12 7 58.3 0.4 .
1 289 CYS 4 16 18 9 50.0 0.0 .
1 290 PHE 7 26 37 8 21.6 -1.3 >sigma
1 291 PRO 5 4 12 2 16.7 -1.5 >sigma
1 292 GLU 5 9 8 6 75.0 1.2 >sigma
1 293 LYS 7 9 10 7 70.0 1.0 .
1 294 ASN 6 10 10 6 60.0 0.5 .
1 295 LYS 7 6 9 3 33.3 -0.7 .
1 296 PRO 5 7 30 3 10.0 -1.8 >sigma
1 297 GLY 3 12 8 6 75.0 1.2 >sigma
1 298 GLU 5 31 36 16 44.4 -0.2 .
1 299 ILE 6 62 53 27 50.9 0.1 .
1 300 ALA 3 30 23 16 69.6 1.0 .
1 301 LYS 7 26 30 13 43.3 -0.3 .
1 302 TYR 6 63 48 34 70.8 1.0 >sigma
1 303 MET 6 48 39 24 61.5 0.6 .
1 304 GLU 5 27 24 14 58.3 0.4 .
1 305 THR 4 34 27 20 74.1 1.2 >sigma
1 306 VAL 5 57 40 31 77.5 1.3 >sigma
1 307 LYS 7 21 26 16 61.5 0.6 .
1 308 LEU 7 19 15 10 66.7 0.8 .
1 309 LEU 7 36 32 18 56.3 0.3 .
1 310 ASP 4 15 19 11 57.9 0.4 .
1 311 TYR 6 17 21 8 38.1 -0.5 .
1 312 THR 4 10 10 8 80.0 1.4 >sigma
1 313 GLU 5 20 25 14 56.0 0.3 .
1 314 LYS 7 5 10 3 30.0 -0.9 .
1 315 PRO 5 13 21 7 33.3 -0.7 .
1 316 LEU 7 21 20 13 65.0 0.7 .
1 317 TYR 6 34 34 17 50.0 0.0 .
1 318 GLU 5 16 14 9 64.3 0.7 .
1 319 ASN 6 23 21 12 57.1 0.4 .
1 320 LEU 7 75 47 35 74.5 1.2 >sigma
1 321 ARG 7 29 26 14 53.8 0.2 .
1 322 ASP 4 23 15 10 66.7 0.8 .
1 323 ILE 6 54 47 28 59.6 0.5 .
1 324 LEU 7 62 53 29 54.7 0.3 .
1 325 LEU 7 37 21 13 61.9 0.6 .
1 326 GLN 7 18 19 10 52.6 0.2 .
1 327 GLY 3 29 17 11 64.7 0.7 .
1 328 LEU 7 61 36 24 66.7 0.8 .
1 329 LYS 7 18 18 10 55.6 0.3 .
1 330 ALA 3 20 15 12 80.0 1.4 >sigma
1 331 ILE 6 35 26 16 61.5 0.6 .
1 332 GLY 3 12 9 7 77.8 1.3 >sigma
1 333 SER 4 14 17 8 47.1 -0.1 .
1 334 LYS 7 14 7 5 71.4 1.0 >sigma
1 335 ASP 4 22 10 10 100.0 2.4 >sigma
1 336 ASP 4 11 6 5 83.3 1.6 >sigma
1 337 GLY 3 9 8 7 87.5 1.8 >sigma
1 338 LYS 7 15 9 8 88.9 1.9 >sigma
1 339 LEU 7 52 36 24 66.7 0.8 .
1 340 ASP 4 15 11 6 54.5 0.3 .
1 341 LEU 7 33 38 19 50.0 0.0 .
1 342 SER 4 16 11 5 45.5 -0.2 .
1 343 VAL 5 12 13 7 53.8 0.2 .
1 344 VAL 5 11 11 10 90.9 2.0 >sigma
1 345 GLU 5 10 11 10 90.9 2.0 >sigma
1 346 ASN 6 6 8 5 62.5 0.6 .
1 347 GLY 3 2 6 1 16.7 -1.5 >sigma
1 348 GLY 3 3 6 3 50.0 0.0 .
1 349 LEU 7 3 11 2 18.2 -1.4 >sigma
1 350 LYS 7 2 14 0 0.0 -2.3 >sigma
1 351 ALA 3 4 25 3 12.0 -1.7 >sigma
1 352 LYS 7 8 38 5 13.2 -1.7 >sigma
1 353 THR 4 22 51 6 11.8 -1.7 >sigma
1 354 ILE 6 29 47 12 25.5 -1.1 >sigma
1 355 THR 4 40 29 14 48.3 -0.0 .
1 356 LYS 7 12 15 5 33.3 -0.7 .
1 357 LYS 7 4 11 3 27.3 -1.0 >sigma
1 358 ARG 7 0 10 0 0.0 -2.3 >sigma
1 359 LYS 7 0 9 0 0.0 -2.3 >sigma
1 360 LYS 7 0 9 0 0.0 -2.3 >sigma
1 361 GLU 5 0 5 0 0.0 -2.3 >sigma
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