NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
559938 |
2lzs   |
18771 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lzs
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 189
_Stereo_assign_list.Swap_count 8
_Stereo_assign_list.Swap_percentage 4.2
_Stereo_assign_list.Deassign_count 6
_Stereo_assign_list.Deassign_percentage 3.2
_Stereo_assign_list.Model_count 1
_Stereo_assign_list.Total_e_low_states 9.019
_Stereo_assign_list.Total_e_high_states 531.289
_Stereo_assign_list.Crit_abs_e_diff 0.100
_Stereo_assign_list.Crit_rel_e_diff 0.000
_Stereo_assign_list.Crit_mdls_favor_pct 75.0
_Stereo_assign_list.Crit_sing_mdl_viol 1.000
_Stereo_assign_list.Crit_multi_mdl_viol 0.500
_Stereo_assign_list.Crit_multi_mdl_pct 50.0
_Stereo_assign_list.Details
;
Description of the tags in this list:
* 1 * NMR-STAR 3 administrative tag
* 2 * NMR-STAR 3 administrative tag
* 3 * NMR-STAR 3 administrative tag
* 4 * Number of triplets (atom-group pair and pseudo)
* 5 * Number of triplets that were swapped
* 6 * Percentage of triplets that were swapped
* 7 * Number of deassigned triplets
* 8 * Percentage of deassigned triplets
* 9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag
Description of the tags in the table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Name of pseudoatom representing the triplet
* 5 * Ordinal number of assignment (1 is assigned first)
* 6 * 'yes' if assignment state is swapped with respect to restraint file
* 7 * Percentage of models in which the assignment with the lowest
overall energy is favoured
* 8 * Percentage of difference between lowest and highest overall energy
with respect to the highest overall energy
* 9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;
loop_
_Stereo_assign.Entity_assembly_ID
_Stereo_assign.Comp_index_ID
_Stereo_assign.Comp_ID
_Stereo_assign.Pseudo_Atom_ID
_Stereo_assign.Num
_Stereo_assign.Swapped
_Stereo_assign.Models_favoring_pct
_Stereo_assign.Energy_difference_pct
_Stereo_assign.Energy_difference
_Stereo_assign.Energy_high_state
_Stereo_assign.Energy_low_state
_Stereo_assign.Constraint_count
_Stereo_assign.Constraint_ambi_count
_Stereo_assign.Deassigned
_Stereo_assign.Violation_max
_Stereo_assign.Single_mdl_crit_count
_Stereo_assign.Multi_mdl_crit_count
1 6 ILE QG 144 no 100.0 100.0 0.001 0.001 0.000 4 0 no 0.033 0 0
1 9 LEU QD 72 no 100.0 80.4 1.288 1.603 0.315 11 0 no 0.462 0 0
1 10 LEU QD 90 no 100.0 99.2 2.244 2.261 0.017 7 0 no 0.131 0 0
1 11 ILE QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 ILE QG 179 no 100.0 0.0 0.000 0.014 0.014 2 0 no 0.116 0 0
1 14 VAL QG 45 no 100.0 100.0 7.799 7.800 0.001 20 1 no 0.035 0 0
1 15 ILE QG 81 yes 100.0 100.0 0.262 0.262 0.000 8 4 no 0.000 0 0
1 16 VAL QG 9 no 100.0 98.3 4.686 4.766 0.080 28 1 no 0.233 0 0
1 17 VAL QG 36 no 100.0 100.0 7.460 7.460 0.000 23 7 no 0.000 0 0
1 18 LEU QD 54 no 100.0 96.8 4.267 4.408 0.141 17 2 no 0.356 0 0
1 19 LEU QD 27 no 100.0 96.9 11.303 11.659 0.356 26 6 no 0.356 0 0
1 20 PHE QB 143 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.020 0 0
1 21 GLY QA 189 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 25 LEU QD 26 no 100.0 99.5 4.672 4.695 0.023 26 6 no 0.095 0 0
1 26 GLY QA 142 no 100.0 100.0 0.007 0.007 0.000 4 0 no 0.073 0 0
1 28 ILE QG 178 no 100.0 100.0 0.283 0.283 0.000 2 0 no 0.000 0 0
1 29 GLY QA 108 no 100.0 96.6 0.061 0.063 0.002 5 2 no 0.047 0 0
1 32 LEU QD 63 no 100.0 100.0 7.264 7.266 0.002 12 1 no 0.047 0 0
1 33 GLY QA 141 no 100.0 100.0 0.022 0.022 0.000 4 0 no 0.147 0 0
1 36 ILE QG 99 no 100.0 70.5 0.211 0.300 0.089 6 0 no 0.248 0 0
1 38 GLY QA 153 no 100.0 73.8 0.147 0.199 0.052 3 0 no 0.228 0 0
2 6 ILE QG 140 no 100.0 100.0 0.012 0.012 0.000 4 0 no 0.111 0 0
2 9 LEU QD 71 no 100.0 98.8 4.819 4.877 0.058 11 0 no 0.242 0 0
2 10 LEU QD 89 no 100.0 95.5 6.403 6.704 0.302 7 0 yes 0.532 0 1
2 11 ILE QG 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 12 ILE QG 176 no 100.0 0.0 0.000 0.023 0.023 2 0 no 0.151 0 0
2 14 VAL QG 44 no 100.0 99.9 7.248 7.253 0.006 20 1 no 0.074 0 0
2 15 ILE QG 80 yes 100.0 100.0 0.236 0.236 0.000 8 4 no 0.000 0 0
2 16 VAL QG 8 no 100.0 99.5 5.616 5.646 0.030 28 1 no 0.122 0 0
2 17 VAL QG 35 no 100.0 99.9 7.774 7.782 0.008 23 7 no 0.088 0 0
2 18 LEU QD 53 no 100.0 97.7 5.716 5.849 0.133 17 2 no 0.340 0 0
2 19 LEU QD 25 no 100.0 97.7 10.347 10.589 0.242 26 6 no 0.340 0 0
2 20 PHE QB 139 no 100.0 100.0 0.001 0.001 0.000 4 0 no 0.035 0 0
2 21 GLY QA 188 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 25 LEU QD 24 no 100.0 99.5 5.610 5.640 0.030 26 6 no 0.098 0 0
2 26 GLY QA 138 no 100.0 100.0 0.008 0.008 0.000 4 0 no 0.080 0 0
2 28 ILE QG 175 no 100.0 100.0 0.255 0.255 0.000 2 0 no 0.000 0 0
2 29 GLY QA 107 no 100.0 89.5 0.059 0.066 0.007 5 2 no 0.083 0 0
2 32 LEU QD 62 no 100.0 99.9 7.192 7.199 0.007 12 1 no 0.083 0 0
2 33 GLY QA 137 no 100.0 100.0 0.020 0.020 0.000 4 0 no 0.142 0 0
2 36 ILE QG 98 no 100.0 70.6 0.201 0.285 0.084 6 0 no 0.234 0 0
2 38 GLY QA 152 no 100.0 74.6 0.148 0.198 0.050 3 0 no 0.225 0 0
3 6 ILE QG 136 no 100.0 100.0 0.015 0.015 0.000 4 0 no 0.122 0 0
3 9 LEU QD 70 no 100.0 98.3 4.856 4.943 0.086 11 0 no 0.294 0 0
3 10 LEU QD 88 no 100.0 95.8 6.081 6.350 0.269 7 0 yes 0.518 0 1
3 11 ILE QG 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
3 12 ILE QG 173 no 100.0 0.0 0.000 0.030 0.030 2 0 no 0.173 0 0
3 14 VAL QG 43 no 100.0 99.9 7.539 7.550 0.011 20 1 no 0.103 0 0
3 15 ILE QG 79 yes 100.0 100.0 0.244 0.244 0.000 8 4 no 0.000 0 0
3 16 VAL QG 7 no 100.0 99.0 5.816 5.872 0.056 28 1 no 0.150 0 0
3 17 VAL QG 34 no 100.0 100.0 7.744 7.744 0.000 23 7 no 0.000 0 0
3 18 LEU QD 52 no 100.0 98.3 3.647 3.712 0.065 17 2 no 0.232 0 0
3 19 LEU QD 23 no 100.0 98.6 9.317 9.453 0.136 26 6 no 0.232 0 0
3 20 PHE QB 135 no 100.0 100.0 0.002 0.002 0.000 4 0 no 0.043 0 0
3 21 GLY QA 187 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
3 25 LEU QD 22 no 100.0 99.4 5.319 5.349 0.030 26 6 no 0.096 0 0
3 26 GLY QA 134 no 100.0 100.0 0.008 0.008 0.000 4 0 no 0.076 0 0
3 28 ILE QG 172 no 100.0 100.0 0.270 0.270 0.000 2 0 no 0.000 0 0
3 29 GLY QA 106 no 100.0 88.1 0.056 0.064 0.008 5 2 no 0.087 0 0
3 32 LEU QD 61 no 100.0 99.9 6.841 6.849 0.008 12 1 no 0.087 0 0
3 33 GLY QA 133 no 100.0 100.0 0.020 0.020 0.000 4 0 no 0.141 0 0
3 36 ILE QG 97 no 100.0 71.3 0.207 0.290 0.083 6 0 no 0.238 0 0
3 38 GLY QA 151 no 100.0 74.0 0.150 0.202 0.053 3 0 no 0.229 0 0
4 6 ILE QG 132 no 100.0 100.0 0.002 0.002 0.000 4 0 no 0.047 0 0
4 9 LEU QD 69 no 100.0 93.0 1.959 2.106 0.147 11 0 no 0.274 0 0
4 10 LEU QD 87 no 100.0 95.1 5.410 5.687 0.277 7 0 yes 0.526 0 1
4 11 ILE QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
4 12 ILE QG 170 no 100.0 0.0 0.000 0.019 0.019 2 0 no 0.136 0 0
4 14 VAL QG 42 no 100.0 99.7 7.834 7.859 0.025 20 1 no 0.158 0 0
4 15 ILE QG 78 yes 100.0 100.0 0.253 0.253 0.000 8 4 no 0.000 0 0
4 16 VAL QG 6 no 100.0 98.4 4.670 4.744 0.074 28 1 no 0.186 0 0
4 17 VAL QG 33 no 100.0 100.0 7.943 7.944 0.001 23 7 no 0.034 0 0
4 18 LEU QD 51 no 100.0 97.2 4.210 4.331 0.121 17 2 no 0.347 0 0
4 19 LEU QD 21 no 100.0 97.7 10.817 11.073 0.256 26 6 no 0.347 0 0
4 20 PHE QB 131 no 100.0 100.0 0.001 0.001 0.000 4 0 no 0.035 0 0
4 21 GLY QA 186 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
4 25 LEU QD 20 no 100.0 99.5 5.785 5.813 0.028 26 6 no 0.105 0 0
4 26 GLY QA 130 no 100.0 100.0 0.007 0.007 0.000 4 0 no 0.070 0 0
4 28 ILE QG 169 no 100.0 100.0 0.265 0.265 0.000 2 0 no 0.000 0 0
4 29 GLY QA 105 no 100.0 85.9 0.054 0.063 0.009 5 2 no 0.094 0 0
4 32 LEU QD 60 no 100.0 99.9 6.753 6.762 0.009 12 1 no 0.094 0 0
4 33 GLY QA 129 no 100.0 100.0 0.021 0.021 0.000 4 0 no 0.145 0 0
4 36 ILE QG 96 no 100.0 69.8 0.196 0.280 0.085 6 0 no 0.229 0 0
4 38 GLY QA 150 no 100.0 73.6 0.147 0.199 0.052 3 0 no 0.229 0 0
5 6 ILE QG 128 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.011 0 0
5 9 LEU QD 68 no 100.0 86.7 2.206 2.544 0.338 11 0 no 0.460 0 0
5 10 LEU QD 86 no 100.0 97.2 6.544 6.733 0.189 7 0 no 0.408 0 0
5 11 ILE QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
5 12 ILE QG 167 no 100.0 0.0 0.000 0.013 0.013 2 0 no 0.116 0 0
5 14 VAL QG 41 no 100.0 100.0 7.261 7.263 0.001 20 1 no 0.034 0 0
5 15 ILE QG 77 yes 100.0 100.0 0.225 0.225 0.000 8 4 no 0.000 0 0
5 16 VAL QG 5 no 100.0 98.2 4.822 4.909 0.087 28 1 no 0.237 0 0
5 17 VAL QG 32 no 100.0 100.0 7.839 7.839 0.000 23 7 no 0.000 0 0
5 18 LEU QD 50 no 100.0 97.9 6.422 6.563 0.141 17 2 no 0.361 0 0
5 19 LEU QD 19 no 100.0 97.6 10.990 11.263 0.273 26 6 no 0.361 0 0
5 20 PHE QB 127 no 100.0 100.0 0.001 0.001 0.000 4 0 no 0.033 0 0
5 21 GLY QA 185 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
5 25 LEU QD 18 no 100.0 99.4 5.872 5.906 0.034 26 6 no 0.105 0 0
5 26 GLY QA 126 no 100.0 100.0 0.008 0.008 0.000 4 0 no 0.078 0 0
5 28 ILE QG 166 no 100.0 100.0 0.292 0.292 0.000 2 0 no 0.000 0 0
5 29 GLY QA 104 no 100.0 92.9 0.059 0.064 0.005 5 2 no 0.067 0 0
5 32 LEU QD 59 no 100.0 99.9 6.919 6.923 0.005 12 1 no 0.067 0 0
5 33 GLY QA 125 no 100.0 100.0 0.020 0.020 0.000 4 0 no 0.142 0 0
5 36 ILE QG 95 no 100.0 70.4 0.209 0.297 0.088 6 0 no 0.245 0 0
5 38 GLY QA 149 no 100.0 73.8 0.148 0.200 0.053 3 0 no 0.229 0 0
6 6 ILE QG 124 no 100.0 100.0 0.003 0.003 0.000 4 0 no 0.050 0 0
6 9 LEU QD 67 no 100.0 98.7 4.709 4.772 0.063 11 0 no 0.251 0 0
6 10 LEU QD 85 no 100.0 94.5 6.467 6.842 0.375 7 0 yes 0.592 0 1
6 11 ILE QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
6 12 ILE QG 164 no 100.0 0.0 0.000 0.041 0.041 2 0 no 0.202 0 0
6 14 VAL QG 40 no 100.0 100.0 7.129 7.130 0.001 20 1 no 0.038 0 0
6 15 ILE QG 76 yes 100.0 100.0 0.236 0.236 0.000 8 4 no 0.000 0 0
6 16 VAL QG 4 no 100.0 99.4 5.455 5.485 0.030 28 1 no 0.144 0 0
6 17 VAL QG 31 no 100.0 99.9 7.562 7.573 0.011 23 7 no 0.106 0 0
6 18 LEU QD 49 no 100.0 97.9 5.703 5.823 0.120 17 2 no 0.318 0 0
6 19 LEU QD 17 no 100.0 98.0 10.060 10.264 0.204 26 6 no 0.318 0 0
6 20 PHE QB 123 no 100.0 100.0 0.001 0.001 0.000 4 0 no 0.037 0 0
6 21 GLY QA 184 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
6 25 LEU QD 16 no 100.0 99.5 5.715 5.742 0.027 26 6 no 0.104 0 0
6 26 GLY QA 122 no 100.0 100.0 0.007 0.007 0.000 4 0 no 0.073 0 0
6 28 ILE QG 163 no 100.0 100.0 0.238 0.238 0.000 2 0 no 0.000 0 0
6 29 GLY QA 103 no 100.0 92.9 0.060 0.064 0.005 5 2 no 0.068 0 0
6 32 LEU QD 58 no 100.0 99.9 6.050 6.054 0.005 12 1 no 0.068 0 0
6 33 GLY QA 121 no 100.0 100.0 0.020 0.020 0.000 4 0 no 0.143 0 0
6 36 ILE QG 94 no 100.0 70.9 0.194 0.274 0.080 6 0 no 0.223 0 0
6 38 GLY QA 148 no 100.0 74.0 0.148 0.200 0.052 3 0 no 0.228 0 0
7 6 ILE QG 120 no 100.0 100.0 0.005 0.005 0.000 4 0 no 0.069 0 0
7 9 LEU QD 66 no 100.0 98.7 4.609 4.668 0.059 11 0 no 0.243 0 0
7 10 LEU QD 84 no 100.0 95.5 6.047 6.332 0.285 7 0 yes 0.533 0 1
7 11 ILE QG 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
7 12 ILE QG 161 no 100.0 0.0 0.000 0.017 0.017 2 0 no 0.131 0 0
7 14 VAL QG 39 no 100.0 99.1 7.744 7.813 0.069 20 1 no 0.261 0 0
7 15 ILE QG 75 yes 100.0 100.0 0.261 0.261 0.000 8 4 no 0.000 0 0
7 16 VAL QG 3 no 100.0 98.0 4.799 4.895 0.096 28 1 no 0.234 0 0
7 17 VAL QG 30 no 100.0 100.0 7.923 7.923 0.000 23 7 no 0.000 0 0
7 18 LEU QD 48 no 100.0 97.4 3.447 3.540 0.093 17 2 no 0.291 0 0
7 19 LEU QD 15 no 100.0 97.1 11.160 11.493 0.333 26 6 no 0.383 0 0
7 20 PHE QB 119 no 100.0 100.0 0.001 0.001 0.000 4 0 no 0.036 0 0
7 21 GLY QA 183 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
7 25 LEU QD 14 no 100.0 99.5 5.757 5.788 0.030 26 6 no 0.100 0 0
7 26 GLY QA 118 no 100.0 100.0 0.007 0.007 0.000 4 0 no 0.077 0 0
7 28 ILE QG 160 no 100.0 100.0 0.277 0.277 0.000 2 0 no 0.000 0 0
7 29 GLY QA 102 no 100.0 87.2 0.055 0.064 0.008 5 2 no 0.090 0 0
7 32 LEU QD 57 no 100.0 99.8 6.743 6.754 0.011 12 1 no 0.090 0 0
7 33 GLY QA 117 no 100.0 100.0 0.020 0.020 0.000 4 0 no 0.143 0 0
7 36 ILE QG 93 no 100.0 72.2 0.191 0.264 0.073 6 0 no 0.214 0 0
7 38 GLY QA 147 no 100.0 74.0 0.146 0.198 0.051 3 0 no 0.227 0 0
8 6 ILE QG 116 no 100.0 100.0 0.007 0.007 0.000 4 0 no 0.081 0 0
8 9 LEU QD 65 no 100.0 100.0 3.218 3.218 0.000 11 0 no 0.000 0 0
8 10 LEU QD 83 no 100.0 95.4 6.100 6.391 0.291 7 0 yes 0.537 0 1
8 11 ILE QG 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
8 12 ILE QG 158 no 100.0 0.0 0.000 0.026 0.026 2 0 no 0.162 0 0
8 14 VAL QG 38 no 100.0 99.8 6.861 6.873 0.011 20 1 no 0.102 0 0
8 15 ILE QG 74 yes 100.0 100.0 0.224 0.224 0.000 8 4 no 0.000 0 0
8 16 VAL QG 2 no 100.0 98.5 4.829 4.901 0.072 28 1 no 0.197 0 0
8 17 VAL QG 29 no 100.0 100.0 7.652 7.653 0.000 23 7 no 0.022 0 0
8 18 LEU QD 47 no 100.0 97.5 5.355 5.492 0.137 17 2 no 0.353 0 0
8 19 LEU QD 13 no 100.0 97.6 10.608 10.874 0.266 26 6 no 0.353 0 0
8 20 PHE QB 115 no 100.0 100.0 0.001 0.001 0.000 4 0 no 0.034 0 0
8 21 GLY QA 182 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
8 25 LEU QD 12 no 100.0 99.5 5.966 5.994 0.028 26 6 no 0.104 0 0
8 26 GLY QA 114 no 100.0 100.0 0.008 0.008 0.000 4 0 no 0.077 0 0
8 28 ILE QG 157 no 100.0 100.0 0.262 0.262 0.000 2 0 no 0.000 0 0
8 29 GLY QA 101 no 100.0 86.9 0.055 0.063 0.008 5 2 no 0.091 0 0
8 32 LEU QD 56 no 100.0 99.9 6.689 6.698 0.009 12 1 no 0.091 0 0
8 33 GLY QA 113 no 100.0 100.0 0.021 0.021 0.000 4 0 no 0.144 0 0
8 36 ILE QG 92 no 100.0 70.9 0.219 0.309 0.090 6 0 no 0.256 0 0
8 38 GLY QA 146 no 100.0 74.6 0.150 0.200 0.051 3 0 no 0.226 0 0
9 6 ILE QG 112 no 100.0 100.0 0.003 0.003 0.000 4 0 no 0.000 0 0
9 9 LEU QD 64 no 100.0 98.4 2.502 2.543 0.041 11 0 no 0.159 0 0
9 10 LEU QD 82 no 100.0 98.9 4.718 4.769 0.051 7 0 no 0.219 0 0
9 11 ILE QG 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
9 12 ILE QG 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
9 14 VAL QG 37 no 100.0 99.9 9.822 9.835 0.013 20 1 no 0.112 0 0
9 15 ILE QG 73 no 100.0 65.4 0.109 0.167 0.058 8 4 no 0.213 0 0
9 16 VAL QG 1 no 100.0 99.7 5.628 5.646 0.018 28 1 no 0.073 0 0
9 17 VAL QG 28 no 100.0 100.0 7.717 7.717 0.000 23 7 no 0.000 0 0
9 18 LEU QD 46 no 100.0 97.2 4.961 5.102 0.141 17 2 no 0.327 0 0
9 19 LEU QD 11 no 100.0 98.3 9.706 9.872 0.167 26 6 no 0.327 0 0
9 20 PHE QB 111 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.021 0 0
9 21 GLY QA 181 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
9 25 LEU QD 10 no 100.0 99.4 4.420 4.446 0.026 26 6 no 0.102 0 0
9 26 GLY QA 110 no 100.0 100.0 0.008 0.008 0.000 4 0 no 0.078 0 0
9 28 ILE QG 154 no 100.0 100.0 0.242 0.242 0.000 2 0 no 0.000 0 0
9 29 GLY QA 100 no 100.0 93.9 0.060 0.064 0.004 5 2 no 0.063 0 0
9 32 LEU QD 55 no 100.0 99.9 6.897 6.901 0.004 12 1 no 0.063 0 0
9 33 GLY QA 109 no 100.0 100.0 0.020 0.020 0.000 4 0 no 0.141 0 0
9 36 ILE QG 91 no 100.0 70.7 0.196 0.277 0.081 6 0 no 0.227 0 0
9 38 GLY QA 145 no 100.0 74.7 0.149 0.199 0.050 3 0 no 0.225 0 0
stop_
save_
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