NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432705 |
2jsw   |
15411 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2jsw
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 200
_Stereo_assign_list.Swap_count 2
_Stereo_assign_list.Swap_percentage 1.0
_Stereo_assign_list.Deassign_count 31
_Stereo_assign_list.Deassign_percentage 15.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 11.464
_Stereo_assign_list.Total_e_high_states 133.920
_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 2 ILE QG 155 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 3 ASP QB 107 no 65.0 81.4 0.313 0.384 0.072 9 5 yes 1.231 3 9
1 4 PRO QB 79 no 100.0 99.9 0.445 0.446 0.000 12 8 no 0.033 0 0
1 4 PRO QD 18 no 100.0 99.4 0.907 0.913 0.006 18 12 no 0.213 0 0
1 4 PRO QG 73 no 85.0 74.3 0.078 0.106 0.027 13 9 no 0.501 0 1
1 5 PHE QB 123 no 75.0 73.2 0.440 0.601 0.161 6 0 no 0.919 0 5
1 7 ASP QB 53 no 80.0 30.9 0.038 0.123 0.085 14 4 no 0.906 0 2
1 8 PRO QB 50 no 100.0 98.6 0.610 0.619 0.009 15 11 no 0.135 0 0
1 8 PRO QD 47 no 100.0 99.9 0.303 0.303 0.000 15 9 no 0.049 0 0
1 8 PRO QG 58 no 100.0 98.9 0.790 0.799 0.009 14 11 no 0.135 0 0
1 11 ILE QG 110 no 85.0 98.6 1.109 1.124 0.015 8 0 no 0.315 0 0
1 14 ASN QB 22 no 85.0 80.5 0.853 1.060 0.207 17 7 yes 1.345 2 3
1 14 ASN QD 92 no 100.0 99.2 0.197 0.199 0.002 11 7 no 0.141 0 0
1 15 GLU QB 106 no 100.0 99.9 2.079 2.081 0.002 9 5 no 0.124 0 0
1 15 GLU QG 120 no 100.0 0.0 0.000 0.000 0.000 7 6 no 0.000 0 0
1 16 LEU QB 34 no 100.0 100.0 1.994 1.994 0.000 16 6 no 0.029 0 0
1 17 LEU QB 82 no 100.0 100.0 0.049 0.049 0.000 11 1 no 0.001 0 0
1 18 GLY QA 131 no 100.0 100.0 0.018 0.018 0.000 5 1 no 0.000 0 0
1 23 ILE QG 86 no 100.0 100.0 1.152 1.152 0.000 11 2 no 0.031 0 0
1 24 GLU QB 149 no 100.0 88.1 0.005 0.005 0.001 4 4 no 0.093 0 0
1 24 GLU QG 88 no 100.0 99.2 0.442 0.446 0.004 11 3 no 0.093 0 0
1 28 LYS QB 1 no 50.0 44.5 0.016 0.036 0.020 26 13 no 0.205 0 0
1 28 LYS QD 135 no 90.0 57.0 0.001 0.001 0.000 5 3 no 0.102 0 0
1 29 LYS QB 167 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 29 LYS QD 200 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 29 LYS QE 127 no 65.0 54.3 0.002 0.003 0.002 6 4 no 0.211 0 0
1 29 LYS QG 166 no 30.0 10.6 0.000 0.001 0.001 3 3 no 0.091 0 0
1 30 LEU QB 97 no 95.0 97.5 3.251 3.333 0.082 10 0 yes 1.100 1 1
1 31 GLU QB 144 no 100.0 100.0 0.801 0.801 0.000 4 2 no 0.000 0 0
1 31 GLU QG 100 no 100.0 98.6 0.593 0.601 0.008 10 4 no 0.315 0 0
1 32 GLN QB 72 no 95.0 99.1 0.308 0.311 0.003 13 7 no 0.233 0 0
1 32 GLN QE 147 no 100.0 0.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 32 GLN QG 49 no 95.0 75.9 0.300 0.395 0.095 15 11 yes 1.186 1 2
1 33 LEU QB 104 no 100.0 99.0 0.093 0.093 0.001 9 3 no 0.125 0 0
1 34 LYS QB 32 no 100.0 98.7 0.412 0.418 0.005 16 4 no 0.188 0 0
1 34 LYS QE 181 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 35 PRO QB 57 no 100.0 100.0 0.534 0.534 0.000 14 9 no 0.002 0 0
1 35 PRO QD 143 no 90.0 90.1 0.045 0.050 0.005 4 2 no 0.210 0 0
1 35 PRO QG 89 no 100.0 99.8 0.120 0.120 0.000 11 6 no 0.075 0 0
1 38 LYS QB 13 no 70.0 66.3 0.886 1.335 0.450 20 12 yes 1.129 2 12
1 38 LYS QD 173 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 38 LYS QE 199 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 38 LYS QG 198 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 39 PRO QB 101 no 100.0 100.0 0.514 0.514 0.000 10 6 no 0.000 0 0
1 39 PRO QD 11 no 100.0 93.0 2.900 3.119 0.219 20 11 yes 1.023 1 6
1 39 PRO QG 190 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 40 LYS QE 197 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 41 GLU QB 69 no 55.0 41.7 0.132 0.317 0.185 13 5 yes 1.322 3 4
1 44 GLU QB 52 no 90.0 89.6 0.714 0.797 0.083 14 4 no 0.690 0 3
1 45 SER QB 189 no 80.0 73.7 0.019 0.025 0.007 1 0 no 0.319 0 0
1 47 ASN QB 163 no 100.0 100.0 0.006 0.006 0.000 3 2 no 0.347 0 0
1 47 ASN QD 119 no 95.0 98.4 1.242 1.262 0.020 7 6 no 0.108 0 0
1 48 PHE QB 111 no 100.0 99.9 0.568 0.569 0.000 8 1 no 0.042 0 0
1 49 GLU QB 154 no 100.0 100.0 1.136 1.136 0.000 3 0 no 0.044 0 0
1 49 GLU QG 81 no 100.0 96.8 0.746 0.771 0.025 11 1 no 0.264 0 0
1 50 GLU QB 45 no 95.0 96.0 0.569 0.593 0.024 15 8 no 0.448 0 0
1 50 GLU QG 44 no 90.0 90.5 3.548 3.919 0.371 15 8 yes 1.266 4 7
1 51 GLN QB 2 no 100.0 99.9 5.356 5.362 0.006 24 16 no 0.106 0 0
1 51 GLN QE 165 no 100.0 100.0 0.326 0.326 0.000 3 3 no 0.000 0 0
1 51 GLN QG 10 no 100.0 99.7 2.359 2.367 0.007 20 11 no 0.106 0 0
1 52 ILE QG 30 no 100.0 100.0 2.780 2.781 0.000 16 2 no 0.035 0 0
1 53 LEU QB 29 no 100.0 99.4 0.559 0.563 0.003 16 2 no 0.191 0 0
1 54 GLU QB 153 no 95.0 98.0 2.904 2.965 0.061 3 0 no 0.480 0 0
1 54 GLU QG 152 no 100.0 99.2 0.531 0.536 0.004 3 0 no 0.297 0 0
1 57 LYS QE 170 no 30.0 20.5 0.121 0.591 0.469 2 0 yes 1.667 5 6
1 58 SER QB 80 no 80.0 76.0 1.427 1.877 0.450 11 1 yes 1.525 3 6
1 59 ILE QG 85 no 70.0 95.6 0.264 0.276 0.012 11 2 yes 0.893 0 10
1 66 LEU QB 102 no 100.0 99.9 2.293 2.296 0.003 9 0 no 0.136 0 0
1 68 LYS QB 188 no 100.0 100.0 0.060 0.060 0.000 1 0 no 0.000 0 0
1 68 LYS QD 162 no 100.0 100.0 0.000 0.000 0.000 3 2 no 0.039 0 0
1 68 LYS QG 64 no 35.0 96.0 0.054 0.057 0.002 13 2 no 0.132 0 0
1 71 SER QB 76 no 95.0 91.5 2.360 2.580 0.221 12 3 yes 1.596 2 2
1 74 GLN QB 63 no 80.0 89.8 1.082 1.205 0.122 13 2 no 0.621 0 5
1 74 GLN QE 142 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 74 GLN QG 141 no 85.0 70.8 1.306 1.843 0.538 4 0 yes 1.413 4 9
1 75 ARG QB 15 no 100.0 99.6 0.199 0.200 0.001 19 8 no 0.065 0 0
1 75 ARG QG 42 no 40.0 19.8 0.001 0.003 0.003 15 7 no 0.109 0 0
1 76 GLU QB 157 yes 85.0 80.7 0.947 1.173 0.226 3 1 yes 1.376 3 3
1 76 GLU QG 114 no 45.0 18.1 0.007 0.040 0.033 8 5 no 0.642 0 1
1 77 LEU QB 187 no 45.0 72.1 0.139 0.193 0.054 1 0 no 0.855 0 1
1 80 GLN QB 56 no 80.0 85.3 0.835 0.979 0.144 14 8 yes 1.127 1 4
1 80 GLN QE 121 no 10.0 44.2 0.004 0.009 0.005 7 7 no 0.331 0 0
1 80 GLN QG 46 no 20.0 64.4 0.130 0.202 0.072 15 9 yes 1.015 2 4
1 81 GLY QA 122 no 95.0 100.0 0.004 0.004 0.000 6 0 no 0.000 0 0
1 82 LYS QD 196 no 40.0 21.6 0.001 0.003 0.002 1 1 no 0.167 0 0
1 82 LYS QE 161 no 65.0 39.8 0.001 0.002 0.001 3 2 no 0.132 0 0
1 82 LYS QG 160 no 5.0 1.7 0.000 0.000 0.000 3 2 no 0.052 0 0
1 84 GLY QA 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 86 ILE QG 116 no 90.0 90.3 0.474 0.524 0.051 7 0 no 0.726 0 2
1 87 PRO QB 51 no 100.0 99.0 0.216 0.218 0.002 15 13 no 0.049 0 0
1 87 PRO QD 93 no 100.0 99.6 4.629 4.647 0.019 11 8 no 0.495 0 0
1 87 PRO QG 96 no 100.0 100.0 0.204 0.204 0.000 11 10 no 0.000 0 0
1 89 ASN QB 87 no 65.0 78.9 0.585 0.741 0.156 11 3 yes 1.356 1 2
1 89 ASN QD 134 no 75.0 96.0 0.255 0.266 0.011 5 3 no 0.463 0 0
1 91 LEU QB 109 no 85.0 58.3 0.069 0.119 0.050 8 0 no 0.564 0 2
1 92 ASP QB 151 no 40.0 94.3 0.045 0.047 0.003 3 0 no 0.136 0 0
1 93 ASP QB 62 no 40.0 51.5 0.335 0.651 0.316 13 1 yes 1.678 6 8
1 94 GLY QA 77 no 100.0 100.0 2.064 2.065 0.001 12 4 no 0.077 0 0
1 95 GLN QB 195 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 95 GLN QE 137 no 15.0 100.0 0.000 0.000 0.000 5 5 no 0.000 0 0
1 95 GLN QG 25 no 100.0 99.8 0.179 0.180 0.000 17 11 no 0.052 0 0
1 96 TRP QB 16 no 100.0 99.3 2.246 2.261 0.015 18 0 no 0.245 0 0
1 98 GLN QB 180 no 100.0 100.0 0.438 0.438 0.000 2 2 no 0.000 0 0
1 98 GLN QE 179 no 100.0 91.0 0.013 0.014 0.001 2 2 no 0.189 0 0
1 99 GLY QA 103 no 100.0 100.0 0.117 0.117 0.000 9 3 no 0.000 0 0
1 100 LEU QB 28 no 95.0 87.9 0.163 0.185 0.022 16 1 no 0.501 0 1
1 101 ILE QG 115 no 95.0 98.4 0.148 0.150 0.002 7 0 no 0.207 0 0
1 105 ARG QB 133 no 85.0 75.8 0.648 0.855 0.207 5 2 yes 1.227 3 3
1 105 ARG QD 74 no 85.0 72.5 0.424 0.584 0.161 12 0 no 0.961 0 3
1 105 ARG QG 186 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 106 MET QB 6 no 80.0 88.6 0.235 0.265 0.030 21 7 no 0.392 0 0
1 106 MET QG 54 no 80.0 85.6 0.418 0.488 0.070 14 6 no 0.430 0 0
1 112 ASN QB 20 no 100.0 99.9 2.844 2.848 0.004 17 5 no 0.089 0 0
1 112 ASN QD 126 no 70.0 100.0 0.032 0.032 0.000 6 4 no 0.000 0 0
1 113 ASN QB 55 no 95.0 91.3 0.241 0.263 0.023 14 7 no 0.546 0 1
1 113 ASN QD 91 no 45.0 44.2 0.064 0.146 0.081 11 7 yes 1.253 1 1
1 114 LEU QB 27 no 100.0 100.0 1.154 1.154 0.000 16 1 no 0.000 0 0
1 115 CYS QB 61 no 65.0 67.3 0.806 1.197 0.392 13 1 yes 1.714 1 11
1 116 GLU QB 124 no 100.0 99.8 4.129 4.136 0.007 6 2 no 0.110 0 0
1 116 GLU QG 84 no 100.0 99.2 1.290 1.300 0.010 11 2 no 0.325 0 0
1 119 ASN QB 40 no 100.0 100.0 0.585 0.585 0.000 15 4 no 0.015 0 0
1 119 ASN QD 148 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 123 GLN QB 33 no 100.0 100.0 1.996 1.996 0.000 16 5 no 0.012 0 0
1 123 GLN QE 128 no 30.0 100.0 0.003 0.003 0.000 6 5 no 0.000 0 0
1 123 GLN QG 24 no 85.0 83.4 2.113 2.532 0.419 17 10 yes 1.464 3 7
1 124 GLY QA 130 no 100.0 100.0 0.058 0.058 0.000 5 0 no 0.000 0 0
1 125 HIS QB 59 no 40.0 21.1 0.233 1.103 0.870 13 0 yes 1.356 3 23
1 127 SER QB 38 no 55.0 63.3 0.795 1.257 0.461 15 3 yes 1.845 2 7
1 128 GLN QB 99 no 45.0 38.7 0.024 0.061 0.038 10 4 no 0.700 0 1
1 128 GLN QG 185 no 15.0 95.6 0.145 0.152 0.007 1 0 no 0.365 0 0
1 129 GLU QB 71 no 45.0 82.8 1.117 1.349 0.232 13 6 no 0.882 0 7
1 129 GLU QG 178 no 10.0 95.1 0.000 0.000 0.000 2 2 no 0.122 0 0
1 130 LYS QB 177 no 80.0 78.0 1.318 1.690 0.372 2 2 no 0.621 0 1
1 130 LYS QD 176 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 130 LYS QE 175 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 130 LYS QG 43 no 70.0 56.2 0.149 0.265 0.116 15 8 no 0.358 0 0
1 131 LEU QB 67 no 100.0 99.7 1.252 1.256 0.004 13 3 no 0.195 0 0
1 132 ILE QG 184 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 133 SER QB 156 yes 85.0 75.0 0.183 0.244 0.061 3 1 no 0.648 0 3
1 136 LYS QB 7 no 100.0 99.0 0.951 0.960 0.009 20 7 no 0.152 0 0
1 136 LYS QG 41 no 100.0 100.0 1.939 1.939 0.000 15 5 no 0.000 0 0
1 137 GLN QB 35 no 95.0 96.9 0.747 0.771 0.024 16 7 no 0.552 0 1
1 137 GLN QE 146 no 100.0 0.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 137 GLN QG 26 no 85.0 76.4 0.242 0.317 0.075 17 12 no 0.714 0 4
1 141 SER QB 39 no 80.0 96.2 0.341 0.355 0.014 15 4 no 0.303 0 0
1 144 GLN QB 14 no 100.0 99.6 0.590 0.593 0.003 19 6 no 0.164 0 0
1 144 GLN QE 145 no 100.0 87.0 0.014 0.016 0.002 4 3 no 0.189 0 0
1 144 GLN QG 159 no 100.0 81.4 0.000 0.000 0.000 3 2 no 0.055 0 0
1 145 LEU QB 68 no 100.0 100.0 0.105 0.105 0.000 13 4 no 0.000 0 0
1 146 LEU QB 66 no 100.0 100.0 1.476 1.476 0.000 13 3 no 0.000 0 0
1 149 CYS QB 60 no 25.0 15.9 0.033 0.206 0.173 13 1 no 0.788 0 5
1 150 LYS QB 172 no 20.0 14.2 0.001 0.005 0.005 2 1 no 0.205 0 0
1 150 LYS QG 95 no 20.0 37.8 0.001 0.002 0.001 11 10 no 0.091 0 0
1 152 LYS QB 17 no 100.0 100.0 0.931 0.931 0.000 18 7 no 0.032 0 0
1 152 LYS QD 78 no 95.0 89.8 1.542 1.716 0.174 12 5 yes 1.858 1 1
1 152 LYS QE 150 no 95.0 93.2 1.463 1.570 0.107 3 0 yes 1.395 1 1
1 152 LYS QG 90 no 100.0 0.0 0.000 0.000 0.000 11 7 no 0.000 0 0
1 154 ASP QB 169 no 70.0 67.0 0.027 0.041 0.013 2 0 no 0.332 0 0
1 155 GLN QB 194 no 20.0 41.3 0.002 0.006 0.003 1 1 no 0.161 0 0
1 155 GLN QE 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 156 ASP QB 139 no 100.0 0.0 0.000 0.008 0.008 4 0 no 0.115 0 0
1 157 SER QB 5 no 85.0 87.1 1.164 1.336 0.172 21 2 yes 1.075 1 3
1 160 MET QB 193 no 95.0 96.3 0.003 0.003 0.000 1 1 no 0.161 0 0
1 160 MET QG 75 no 40.0 61.8 0.174 0.281 0.107 12 2 no 0.821 0 4
1 161 LYS QB 12 no 70.0 97.0 0.709 0.731 0.022 20 12 no 0.218 0 0
1 161 LYS QD 171 no 95.0 90.2 0.626 0.693 0.068 2 1 yes 1.162 1 1
1 161 LYS QE 158 no 95.0 39.4 0.000 0.001 0.000 3 2 no 0.067 0 0
1 161 LYS QG 174 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 162 ARG QB 113 no 5.0 100.0 0.000 0.000 0.000 8 5 no 0.000 0 0
1 162 ARG QD 192 no 5.0 100.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 162 ARG QG 118 no 70.0 49.6 0.006 0.012 0.006 7 4 no 0.155 0 0
1 163 LEU QB 65 no 100.0 100.0 0.096 0.096 0.000 13 3 no 0.024 0 0
1 164 GLN QE 117 no 50.0 22.4 0.004 0.018 0.014 7 2 no 0.189 0 0
1 164 GLN QG 183 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 167 GLY QA 37 no 100.0 98.8 0.175 0.177 0.002 15 0 no 0.084 0 0
1 168 ASN QB 23 no 100.0 99.4 0.175 0.176 0.001 17 9 no 0.046 0 0
1 168 ASN QD 105 no 100.0 99.8 2.752 2.757 0.005 9 4 no 0.143 0 0
1 171 LYS QB 8 no 100.0 99.8 2.968 2.974 0.006 20 10 no 0.142 0 0
1 171 LYS QD 70 no 65.0 26.0 0.064 0.245 0.181 13 6 no 0.818 0 8
1 171 LYS QG 48 no 70.0 95.0 0.028 0.029 0.001 15 11 no 0.255 0 0
1 172 ARG QB 132 no 85.0 38.4 0.299 0.778 0.479 5 2 yes 1.494 3 6
1 172 ARG QD 182 no 60.0 74.8 0.979 1.308 0.329 1 0 yes 1.520 2 7
1 172 ARG QG 83 no 80.0 60.8 0.332 0.547 0.214 11 2 no 0.848 0 5
1 175 ASP QB 19 no 100.0 96.5 3.654 3.786 0.133 17 4 yes 1.070 1 2
1 176 ASN QB 21 no 100.0 100.0 0.159 0.159 0.000 17 6 no 0.010 0 0
1 176 ASN QD 112 no 15.0 100.0 0.005 0.005 0.000 8 4 no 0.000 0 0
1 177 LEU QB 31 no 100.0 99.8 1.302 1.305 0.003 16 3 no 0.179 0 0
1 179 LYS QB 125 no 100.0 98.1 0.120 0.122 0.002 6 4 no 0.127 0 0
1 179 LYS QD 9 no 100.0 98.3 0.877 0.892 0.015 20 11 no 0.145 0 0
1 179 LYS QG 191 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 182 GLN QB 4 no 100.0 99.8 1.124 1.126 0.002 22 13 no 0.164 0 0
1 182 GLN QE 94 no 100.0 99.5 0.415 0.417 0.002 11 9 no 0.164 0 0
1 182 GLN QG 3 no 100.0 99.8 1.351 1.354 0.003 23 13 no 0.113 0 0
1 183 LYS QB 129 no 85.0 29.2 0.044 0.149 0.106 5 0 no 0.696 0 2
1 183 LYS QD 164 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 183 LYS QG 36 no 65.0 55.2 0.034 0.062 0.028 16 9 no 0.475 0 0
1 187 PHE QB 108 no 90.0 90.8 0.637 0.702 0.065 8 0 no 0.810 0 2
1 188 GLU QB 98 no 70.0 27.0 0.009 0.034 0.025 10 4 no 0.443 0 0
1 188 GLU QG 136 no 20.0 71.1 0.003 0.004 0.001 5 4 no 0.119 0 0
1 189 ASP QB 138 no 100.0 100.0 0.001 0.001 0.000 4 0 no 0.106 0 0
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