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 |
|
|
653350 |
6ztg   |
34534 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6ztg
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 197
_Stereo_assign_list.Swap_count 43
_Stereo_assign_list.Swap_percentage 21.8
_Stereo_assign_list.Deassign_count 47
_Stereo_assign_list.Deassign_percentage 23.9
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 174.248
_Stereo_assign_list.Total_e_high_states 437.771
_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 1 ASP QB 176 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 3 GLN QB 197 no 60.0 31.8 0.780 2.451 1.671 1 1 yes 1.609 7 10
1 7 TYR QB 196 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 8 GLN QB 195 no 75.0 2.8 0.000 0.005 0.004 1 1 no 0.164 0 0
1 8 GLN QG 194 no 90.0 20.8 0.001 0.005 0.004 1 1 no 0.164 0 0
1 9 ASP QB 159 no 100.0 100.0 0.001 0.001 0.000 3 3 no 0.130 0 0
1 10 GLU QB 183 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 11 PHE QB 136 no 70.0 55.4 0.206 0.372 0.166 4 1 yes 1.490 4 6
1 15 PRO QB 122 no 30.0 100.0 0.009 0.009 0.000 5 4 no 0.000 0 0
1 15 PRO QD 113 no 55.0 86.8 0.089 0.102 0.014 5 2 no 0.514 0 1
1 15 PRO QG 175 no 30.0 50.2 0.003 0.006 0.003 2 2 no 0.159 0 0
1 16 LEU QB 98 yes 95.0 94.9 2.334 2.460 0.126 6 1 yes 1.513 1 1
1 16 LEU QD 112 no 70.0 58.8 0.766 1.301 0.536 5 2 yes 1.898 5 6
1 17 VAL QG 105 yes 95.0 99.1 1.768 1.784 0.016 6 5 no 0.514 0 1
1 18 PRO QB 147 no 95.0 99.3 0.002 0.002 0.000 3 1 no 0.000 0 0
1 18 PRO QG 182 no 50.0 50.2 0.381 0.759 0.378 1 0 yes 1.468 2 10
1 21 GLY QA 154 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 22 ASP QB 121 no 10.0 36.1 0.028 0.077 0.049 5 4 no 0.896 0 1
1 23 ARG QD 193 no 50.0 4.7 0.003 0.068 0.065 1 1 no 0.534 0 1
1 23 ARG QG 192 no 55.0 19.7 0.013 0.065 0.052 1 1 no 0.534 0 1
1 24 ASP QB 72 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 26 PRO QB 181 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.003 0 0
1 26 PRO QG 191 no 80.0 21.7 0.001 0.003 0.003 1 1 no 0.159 0 0
1 27 ASP QB 120 no 100.0 92.0 0.001 0.001 0.000 5 4 no 0.130 0 0
1 28 MET QB 180 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 30 PRO QB 128 no 70.0 79.7 0.011 0.014 0.003 5 5 no 0.207 0 0
1 30 PRO QD 97 no 80.0 25.5 0.019 0.074 0.055 7 6 no 0.207 0 0
1 30 PRO QG 145 no 100.0 58.6 0.006 0.010 0.004 4 4 no 0.159 0 0
1 37 PRO QB 119 no 85.0 62.2 0.076 0.121 0.046 5 4 no 0.815 0 4
1 37 PRO QD 158 no 100.0 75.9 0.009 0.012 0.003 3 3 no 0.141 0 0
1 37 PRO QG 174 no 100.0 88.7 0.006 0.007 0.001 2 2 no 0.025 0 0
1 41 PRO QB 86 no 70.0 32.6 0.092 0.283 0.190 8 6 no 0.815 0 8
1 41 PRO QD 89 no 45.0 3.6 0.090 2.506 2.416 8 8 yes 3.015 12 13
1 41 PRO QG 127 no 95.0 56.7 0.005 0.009 0.004 5 5 no 0.159 0 0
1 42 GLU QB 161 no 50.0 53.8 0.260 0.484 0.224 2 0 no 0.997 0 6
1 42 GLU QG 153 no 50.0 1.6 0.010 0.605 0.596 3 2 yes 1.869 5 6
1 43 GLY QA 173 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 46 GLU QB 115 no 20.0 21.7 0.003 0.012 0.010 5 3 no 0.254 0 0
1 47 GLU QG 190 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 48 VAL QG 172 no 10.0 6.3 0.000 0.002 0.002 2 2 no 0.188 0 0
1 49 ARG QB 166 no 45.0 56.2 0.001 0.001 0.001 2 1 no 0.053 0 0
1 49 ARG QD 189 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 49 ARG QG 152 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 51 GLY QA 171 no 5.0 100.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 52 ASP QB 144 no 20.0 51.1 0.051 0.100 0.049 4 4 no 0.896 0 1
1 56 PRO QB 118 yes 100.0 87.0 0.163 0.187 0.024 5 4 no 0.217 0 0
1 56 PRO QD 88 no 50.0 5.1 0.003 0.057 0.054 8 8 no 0.256 0 0
1 56 PRO QG 126 no 30.0 34.0 0.002 0.006 0.004 5 5 no 0.159 0 0
1 59 ASP QB 93 no 10.0 7.4 0.000 0.001 0.001 7 3 no 0.130 0 0
1 60 PRO QB 165 no 100.0 73.5 0.088 0.119 0.032 2 1 no 0.815 0 4
1 60 PRO QD 137 no 5.0 100.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 60 PRO QG 164 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 63 ILE QG 132 no 25.0 41.0 0.010 0.025 0.014 4 0 no 0.441 0 0
1 66 ASN QB 179 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 67 ASN QB 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 69 GLU QB 188 no 40.0 91.7 0.026 0.028 0.002 1 1 no 0.108 0 0
1 70 PHE QB 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 76 PRO QB 76 yes 95.0 57.4 0.136 0.237 0.101 9 7 no 0.250 0 0
1 76 PRO QD 157 no 80.0 76.6 0.049 0.064 0.015 3 3 no 0.250 0 0
1 76 PRO QG 163 no 30.0 52.5 0.004 0.007 0.003 2 1 no 0.159 0 0
1 77 VAL QG 102 no 85.0 43.1 0.026 0.059 0.034 6 3 no 0.448 0 0
1 84 PRO QB 57 no 100.0 78.3 1.102 1.407 0.306 11 7 no 0.256 0 0
1 84 PRO QD 77 yes 100.0 74.9 0.264 0.353 0.089 9 9 no 0.256 0 0
1 84 PRO QG 143 no 100.0 90.2 0.007 0.008 0.001 4 4 no 0.025 0 0
1 85 VAL QG 101 no 45.0 38.9 0.039 0.099 0.061 6 2 no 0.409 0 0
1 90 PRO QB 125 no 60.0 40.6 0.054 0.134 0.080 5 5 no 0.815 0 4
1 90 PRO QD 170 no 70.0 44.6 0.002 0.004 0.002 2 2 no 0.210 0 0
1 90 PRO QG 187 no 85.0 15.5 0.000 0.003 0.003 1 1 no 0.159 0 0
1 91 LYS QB 146 no 35.0 60.6 0.009 0.014 0.006 3 1 no 0.034 0 0
1 92 VAL QG 111 no 70.0 76.1 0.280 0.368 0.088 5 2 no 0.899 0 2
1 93 GLU QB 139 no 100.0 79.2 0.000 0.000 0.000 4 3 no 0.013 0 0
1 104 PRO QB 42 yes 100.0 68.0 1.092 1.607 0.515 13 10 no 0.250 0 0
1 104 PRO QD 85 yes 100.0 96.7 0.555 0.574 0.019 8 6 no 0.250 0 0
1 104 PRO QG 156 no 70.0 94.7 0.003 0.003 0.000 3 3 no 0.159 0 0
1 105 VAL QG 124 no 35.0 60.4 0.006 0.010 0.004 5 5 no 0.210 0 0
1 106 VAL QG 123 no 70.0 23.2 0.001 0.006 0.005 5 5 no 0.210 0 0
1 107 GLU QB 142 no 100.0 100.0 0.000 0.000 0.000 4 4 no 0.013 0 0
1 107 GLU QG 162 no 95.0 86.3 0.000 0.000 0.000 2 1 no 0.041 0 0
1 108 GLU QB 135 no 50.0 27.2 0.217 0.799 0.582 4 1 yes 1.786 4 5
1 108 GLU QG 186 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 109 LYS QB 169 no 85.0 35.3 0.002 0.005 0.004 2 2 no 0.000 0 0
1 109 LYS QG 178 no 50.0 41.3 0.089 0.216 0.127 1 0 no 0.938 0 5
1 112 PRO QB 141 no 100.0 73.4 0.330 0.450 0.120 4 4 no 0.815 0 4
1 112 PRO QD 83 no 100.0 99.4 1.074 1.080 0.006 8 5 no 0.151 0 0
1 112 PRO QG 185 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 115 LYS QB 103 no 65.0 57.3 4.029 7.034 3.005 6 4 yes 1.388 1 7
1 117 TYR QB 1 yes 100.0 78.4 2.370 3.022 0.652 35 17 no 0.511 0 1
1 117 TYR QD 14 no 40.0 23.2 3.263 14.042 10.779 20 17 yes 4.291 42 58
1 117 TYR QE 17 no 60.0 8.4 1.746 20.745 19.000 19 16 yes 4.488 27 44
1 118 VAL QG 22 no 65.0 48.3 3.657 7.578 3.921 18 13 yes 2.435 14 20
1 119 VAL QG 46 yes 100.0 99.9 4.596 4.602 0.006 12 3 no 0.761 0 3
1 120 GLN QB 27 yes 100.0 92.1 1.389 1.508 0.119 16 8 no 0.154 0 0
1 120 GLN QG 49 yes 100.0 98.8 1.730 1.751 0.021 12 7 no 0.132 0 0
1 121 LEU QB 15 yes 100.0 99.1 6.506 6.567 0.061 19 10 no 0.510 0 1
1 121 LEU QD 9 no 90.0 91.2 12.988 14.234 1.246 22 11 yes 2.660 4 6
1 122 GLY QA 53 no 100.0 99.7 1.872 1.878 0.005 11 3 no 0.117 0 0
1 124 LEU QB 39 no 85.0 71.7 0.116 0.162 0.046 14 8 no 0.783 0 4
1 124 LEU QD 33 no 80.0 70.5 4.603 6.528 1.924 15 9 yes 2.156 15 15
1 125 LYS QB 94 yes 100.0 99.8 0.106 0.106 0.000 7 4 no 0.053 0 0
1 125 LYS QG 60 yes 85.0 75.5 1.641 2.174 0.533 10 3 yes 1.786 2 6
1 126 ASN QB 26 no 65.0 15.2 0.158 1.038 0.880 16 6 yes 1.296 13 19
1 128 ASP QB 35 no 100.0 74.3 0.096 0.129 0.033 14 3 no 0.149 0 0
1 129 LYS QB 74 no 85.0 72.5 0.774 1.068 0.294 9 5 no 0.088 0 0
1 129 LYS QG 151 no 95.0 95.5 0.001 0.001 0.000 3 2 no 0.088 0 0
1 130 VAL QG 45 no 100.0 97.9 4.673 4.773 0.100 12 3 no 0.212 0 0
1 131 ASN QB 71 yes 100.0 100.0 0.213 0.213 0.000 9 3 no 0.000 0 0
1 132 GLU QB 134 yes 95.0 99.7 0.225 0.225 0.001 4 1 no 0.000 0 0
1 132 GLU QG 30 yes 85.0 58.6 2.087 3.561 1.474 15 5 yes 1.914 10 17
1 133 ILE QG 133 no 100.0 99.9 0.014 0.014 0.000 4 1 no 0.014 0 0
1 134 VAL QG 47 no 90.0 93.0 5.449 5.861 0.411 12 6 yes 1.054 1 5
1 135 GLY QA 34 no 100.0 76.3 5.274 6.913 1.639 14 3 yes 1.398 2 2
1 136 LYS QB 66 yes 90.0 80.5 0.847 1.052 0.205 9 2 no 0.151 0 0
1 136 LYS QD 168 no 55.0 6.6 0.067 1.007 0.940 2 2 yes 1.157 3 8
1 137 LEU QB 11 yes 100.0 85.2 1.535 1.802 0.267 21 9 yes 1.281 1 4
1 137 LEU QD 6 no 80.0 44.3 1.998 4.513 2.515 24 10 yes 1.713 22 32
1 138 ARG QB 38 yes 90.0 83.0 3.937 4.740 0.804 14 6 yes 1.796 5 13
1 138 ARG QD 96 no 45.0 1.7 0.005 0.319 0.313 7 5 no 0.645 0 8
1 138 ARG QG 150 no 70.0 33.6 0.036 0.108 0.072 3 2 no 0.588 0 1
1 139 GLY QA 100 no 80.0 27.4 0.034 0.126 0.091 6 2 no 0.271 0 0
1 141 GLY QA 51 no 100.0 99.4 0.091 0.092 0.001 11 0 no 0.385 0 0
1 142 TYR QB 4 yes 100.0 87.5 3.530 4.034 0.504 26 13 yes 1.415 6 6
1 142 TYR QD 78 no 75.0 69.0 15.173 22.001 6.827 8 1 yes 2.674 30 30
1 142 TYR QE 107 no 75.0 67.8 5.559 8.204 2.644 5 1 yes 2.526 15 15
1 143 ARG QB 87 yes 100.0 87.0 0.591 0.679 0.088 8 7 no 0.534 0 1
1 143 ARG QD 140 no 70.0 31.8 0.027 0.086 0.059 4 4 no 0.534 0 1
1 144 VAL QG 28 no 70.0 42.7 1.376 3.219 1.843 16 9 yes 1.838 6 26
1 145 TYR QB 70 no 100.0 93.3 0.883 0.947 0.064 9 3 no 0.206 0 0
1 145 TYR QD 16 no 65.0 52.1 17.574 33.764 16.190 19 11 yes 3.302 38 51
1 145 TYR QE 37 no 65.0 46.9 18.548 39.580 21.033 14 6 yes 3.562 37 57
1 147 SER QB 149 yes 85.0 92.9 1.196 1.287 0.091 3 2 no 0.845 0 1
1 148 PRO QD 167 no 60.0 63.0 0.922 1.462 0.541 2 2 no 0.817 0 2
1 149 SER QB 177 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 151 PRO QB 106 yes 100.0 97.6 1.220 1.249 0.029 5 0 no 0.174 0 0
1 151 PRO QG 99 yes 100.0 97.1 2.643 2.721 0.078 6 2 no 0.212 0 0
1 152 VAL QG 44 no 95.0 93.0 3.345 3.598 0.252 12 3 yes 1.377 2 3
1 153 GLN QB 69 no 70.0 45.9 0.029 0.064 0.035 9 3 no 0.637 0 1
1 153 GLN QG 55 no 65.0 54.7 0.033 0.061 0.028 11 4 no 0.559 0 2
1 154 GLY QA 73 yes 100.0 98.4 2.714 2.759 0.045 9 5 no 0.074 0 0
1 155 LYS QB 65 no 100.0 100.0 0.004 0.004 0.000 9 2 no 0.072 0 0
1 155 LYS QD 138 no 100.0 99.9 0.297 0.298 0.000 4 3 no 0.053 0 0
1 155 LYS QG 110 no 100.0 99.9 0.336 0.336 0.000 5 2 no 0.074 0 0
1 156 ILE QG 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 158 ARG QB 41 no 65.0 52.7 2.720 5.157 2.437 13 6 yes 1.541 8 23
1 158 ARG QD 92 no 60.0 55.2 0.375 0.678 0.304 7 3 yes 1.265 5 6
1 158 ARG QG 184 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 159 ILE QG 59 yes 75.0 76.6 3.685 4.813 1.128 10 3 yes 1.396 12 19
1 160 LEU QB 10 no 40.0 0.1 0.006 3.888 3.882 21 7 yes 2.886 17 42
1 160 LEU QD 7 no 90.0 65.1 5.444 8.366 2.922 24 13 yes 1.643 8 34
1 161 VAL QG 2 no 100.0 76.4 3.796 4.968 1.173 27 13 no 0.295 0 0
1 162 GLY QA 68 no 100.0 98.8 1.407 1.424 0.017 9 3 no 0.151 0 0
1 163 PRO QB 32 no 95.0 32.9 0.461 1.401 0.940 15 8 no 0.174 0 0
1 163 PRO QD 50 yes 100.0 64.2 7.015 10.925 3.910 12 9 no 0.144 0 0
1 163 PRO QG 104 no 100.0 98.6 3.603 3.653 0.050 6 5 no 0.247 0 0
1 164 ASP QB 19 no 95.0 40.5 0.848 2.091 1.244 18 7 no 0.123 0 0
1 166 SER QB 20 no 80.0 39.3 0.309 0.786 0.477 18 8 no 0.993 0 12
1 167 LYS QB 3 no 65.0 15.1 0.602 3.982 3.380 27 17 yes 3.500 13 37
1 167 LYS QD 84 no 50.0 22.0 0.475 2.159 1.684 8 6 no 0.310 0 0
1 167 LYS QE 58 no 75.0 33.2 1.293 3.898 2.605 11 11 yes 2.192 6 8
1 167 LYS QG 95 no 15.0 24.9 0.008 0.032 0.024 7 5 no 0.377 0 0
1 168 ASP QB 31 no 30.0 5.1 0.012 0.233 0.221 15 8 yes 1.042 1 6
1 169 LYS QB 56 no 35.0 69.7 0.910 1.305 0.395 11 6 no 0.993 0 13
1 169 LYS QG 148 no 20.0 71.4 0.047 0.066 0.019 3 2 no 0.505 0 1
1 170 LEU QB 23 yes 100.0 99.5 4.615 4.639 0.023 17 6 no 0.166 0 0
1 170 LEU QD 155 yes 95.0 90.0 1.234 1.372 0.138 3 3 no 0.761 0 3
1 171 LYS QB 62 yes 85.0 77.0 0.643 0.836 0.192 10 6 no 0.506 0 1
1 171 LYS QD 114 no 65.0 43.6 0.833 1.910 1.077 5 3 yes 1.312 2 7
1 171 LYS QG 109 no 65.0 88.0 0.060 0.068 0.008 5 2 no 0.204 0 0
1 172 GLY QA 91 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 173 SER QB 43 no 95.0 52.2 0.061 0.117 0.056 12 3 no 0.761 0 3
1 174 LEU QB 36 yes 100.0 86.6 2.579 2.978 0.399 14 5 no 0.239 0 0
1 174 LEU QD 13 no 100.0 99.2 17.904 18.050 0.146 20 6 no 0.648 0 1
1 175 GLY QA 81 yes 100.0 98.1 0.383 0.390 0.007 8 4 no 0.134 0 0
1 176 GLU QG 90 no 55.0 28.0 0.062 0.222 0.159 7 0 no 0.760 0 5
1 178 LYS QB 108 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 178 LYS QG 54 no 60.0 36.8 0.710 1.931 1.221 11 4 yes 1.718 10 15
1 179 GLN QB 80 yes 100.0 100.0 5.017 5.018 0.001 8 3 no 0.065 0 0
1 179 GLN QG 67 no 100.0 87.8 0.650 0.740 0.090 9 3 no 0.134 0 0
1 180 LEU QB 24 no 100.0 66.9 2.380 3.558 1.177 17 9 no 0.106 0 0
1 180 LEU QD 117 yes 95.0 96.2 1.695 1.762 0.067 5 4 yes 1.156 1 1
1 181 SER QB 18 no 90.0 63.5 0.857 1.351 0.494 18 6 no 0.656 0 1
1 182 GLY QA 52 yes 100.0 99.7 3.637 3.647 0.010 11 2 no 0.165 0 0
1 183 LEU QB 29 yes 100.0 96.7 0.784 0.811 0.027 15 5 no 0.178 0 0
1 183 LEU QD 61 no 80.0 81.6 4.499 5.514 1.015 10 5 yes 1.515 9 12
1 184 SER QB 79 no 35.0 28.1 0.007 0.026 0.019 8 2 no 0.510 0 1
1 185 GLY QA 21 no 70.0 92.2 0.024 0.026 0.002 18 9 no 0.123 0 0
1 186 VAL QG 75 no 40.0 47.9 0.628 1.310 0.682 9 6 yes 0.786 0 24
1 187 VAL QG 116 no 60.0 73.7 0.595 0.807 0.213 5 4 no 0.511 0 1
1 188 MET QB 25 yes 100.0 97.0 0.523 0.539 0.016 16 6 no 0.244 0 0
1 188 MET QG 64 yes 75.0 57.5 0.996 1.734 0.737 9 2 yes 1.148 6 19
1 189 GLY QA 12 yes 100.0 17.6 0.917 5.212 4.295 21 11 yes 2.881 17 25
1 190 TYR QB 5 yes 100.0 84.0 1.173 1.396 0.223 26 14 no 0.773 0 8
1 190 TYR QD 8 no 60.0 24.5 6.290 25.645 19.356 24 15 yes 4.023 65 102
1 190 TYR QE 48 no 60.0 27.4 1.778 6.489 4.712 12 7 yes 3.011 20 25
1 192 PRO QB 82 yes 100.0 95.1 0.628 0.660 0.032 8 5 no 0.202 0 0
1 192 PRO QD 40 no 100.0 93.7 1.223 1.305 0.082 14 11 no 0.423 0 0
1 192 PRO QG 63 yes 80.0 84.2 0.309 0.366 0.058 10 8 no 0.423 0 0
1 193 ASN QB 129 no 85.0 83.5 0.030 0.036 0.006 4 0 no 0.544 0 2
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