NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
591401 |
2mx1   |
25381 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mx1
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 205
_Stereo_assign_list.Swap_count 13
_Stereo_assign_list.Swap_percentage 6.3
_Stereo_assign_list.Deassign_count 0
_Stereo_assign_list.Deassign_percentage 0.0
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 4.162
_Stereo_assign_list.Total_e_high_states 563.774
_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 4 LEU QB 157 no 85.0 100.0 0.312 0.312 0.000 3 1 no 0.000 0 0
1 4 LEU QD 133 no 100.0 100.0 0.504 0.505 0.000 4 1 no 0.069 0 0
1 5 GLN QG 201 no 90.0 98.7 0.168 0.170 0.002 1 0 no 0.163 0 0
1 6 ARG QB 205 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 6 ARG QD 204 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 7 ASP QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 14 ASP QB 81 no 95.0 100.0 3.296 3.297 0.001 6 0 no 0.092 0 0
1 15 VAL QG 3 no 100.0 99.4 6.254 6.291 0.037 25 6 no 0.198 0 0
1 16 LEU QB 132 no 100.0 100.0 0.177 0.177 0.000 4 1 no 0.000 0 0
1 16 LEU QD 53 no 100.0 99.1 1.690 1.705 0.015 8 2 no 0.178 0 0
1 17 ASN QB 66 no 100.0 99.8 5.702 5.712 0.011 7 1 no 0.095 0 0
1 18 GLU QB 22 no 100.0 82.9 0.075 0.090 0.015 13 6 no 0.318 0 0
1 18 GLU QG 52 no 100.0 97.2 1.426 1.468 0.042 8 2 no 0.318 0 0
1 19 GLU QB 177 no 65.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 19 GLU QG 34 no 100.0 100.0 3.721 3.722 0.002 10 0 no 0.060 0 0
1 20 ARG QB 200 no 30.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 20 ARG QD 17 no 75.0 64.6 0.026 0.041 0.014 14 6 no 0.279 0 0
1 21 VAL QG 18 no 100.0 99.9 14.700 14.711 0.011 13 3 no 0.131 0 0
1 24 TYR QB 110 no 100.0 99.0 1.384 1.397 0.013 5 1 no 0.171 0 0
1 25 PRO QB 199 no 90.0 99.9 0.181 0.182 0.000 1 0 no 0.054 0 0
1 25 PRO QD 138 yes 100.0 100.0 0.116 0.116 0.000 4 2 no 0.000 0 0
1 27 GLU QB 198 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 27 GLU QG 197 no 65.0 99.3 0.561 0.565 0.004 1 0 no 0.121 0 0
1 29 VAL QG 101 no 50.0 93.2 0.036 0.038 0.003 5 0 no 0.169 0 0
1 31 GLY QA 183 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 32 VAL QG 6 no 100.0 99.9 15.692 15.708 0.016 20 4 no 0.154 0 0
1 33 GLY QA 20 no 100.0 98.6 0.958 0.972 0.013 13 5 no 0.155 0 0
1 34 CYS QB 164 no 100.0 99.3 2.261 2.277 0.016 3 3 no 0.154 0 0
1 36 PRO QB 119 no 100.0 100.0 0.002 0.002 0.000 5 3 no 0.094 0 0
1 36 PRO QD 137 no 100.0 100.0 0.048 0.048 0.000 4 2 no 0.257 0 0
1 36 PRO QG 93 no 100.0 96.6 1.469 1.520 0.051 6 2 no 0.245 0 0
1 38 SER QB 60 no 100.0 100.0 1.201 1.201 0.000 7 0 no 0.000 0 0
1 39 GLU QB 176 no 100.0 100.0 0.082 0.082 0.000 2 0 no 0.304 0 0
1 39 GLU QG 100 no 65.0 99.8 0.683 0.684 0.002 5 0 no 0.060 0 0
1 42 VAL QG 39 no 100.0 100.0 8.731 8.731 0.000 9 1 no 0.041 0 0
1 43 MET QB 196 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 43 MET QG 156 no 100.0 99.6 0.329 0.330 0.001 3 1 no 0.097 0 0
1 44 ARG QB 131 no 100.0 99.8 0.558 0.559 0.001 4 1 no 0.070 0 0
1 44 ARG QD 72 no 100.0 99.6 2.235 2.244 0.009 7 2 no 0.135 0 0
1 44 ARG QG 130 no 100.0 88.1 0.729 0.827 0.098 4 1 no 0.480 0 0
1 45 LEU QB 129 no 40.0 78.3 0.139 0.178 0.039 4 1 no 0.263 0 0
1 45 LEU QD 19 no 100.0 99.2 3.254 3.281 0.027 13 5 no 0.281 0 0
1 46 LEU QB 109 no 100.0 99.8 2.665 2.671 0.006 5 1 no 0.175 0 0
1 46 LEU QD 65 no 100.0 99.9 17.766 17.786 0.019 7 1 no 0.178 0 0
1 47 GLU QB 51 yes 100.0 99.6 0.302 0.303 0.001 8 2 no 0.110 0 0
1 47 GLU QG 71 no 100.0 99.4 0.056 0.056 0.000 7 2 no 0.263 0 0
1 48 LEU QB 155 no 100.0 100.0 1.279 1.279 0.000 3 1 no 0.023 0 0
1 48 LEU QD 5 no 100.0 99.3 21.176 21.315 0.139 22 9 no 0.451 0 0
1 49 LYS QB 21 no 100.0 99.6 6.363 6.391 0.028 13 6 no 0.235 0 0
1 49 LYS QD 94 yes 95.0 90.3 0.209 0.231 0.022 6 3 no 0.451 0 0
1 49 LYS QE 97 no 100.0 96.4 0.116 0.120 0.004 6 5 no 0.122 0 0
1 49 LYS QG 96 no 100.0 99.8 4.838 4.846 0.008 6 4 no 0.128 0 0
1 50 GLN QB 182 no 100.0 97.9 2.079 2.124 0.045 2 1 no 0.243 0 0
1 51 ARG QB 95 no 100.0 99.8 0.546 0.547 0.001 6 4 no 0.142 0 0
1 52 PRO QB 55 no 100.0 99.8 7.796 7.808 0.012 8 4 no 0.142 0 0
1 52 PRO QD 37 no 100.0 99.7 2.411 2.419 0.008 10 6 no 0.136 0 0
1 52 PRO QG 161 no 100.0 100.0 0.002 0.002 0.000 3 2 no 0.081 0 0
1 53 VAL QG 43 no 100.0 100.0 7.950 7.952 0.002 9 3 no 0.175 0 0
1 54 ASP QB 23 no 100.0 99.5 5.899 5.929 0.030 13 8 no 0.221 0 0
1 55 LYS QB 92 no 100.0 100.0 3.335 3.337 0.001 6 2 no 0.067 0 0
1 55 LYS QD 118 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 56 GLY QA 70 no 100.0 99.2 2.432 2.451 0.019 7 2 no 0.142 0 0
1 57 LEU QD 54 no 100.0 100.0 0.098 0.098 0.000 8 3 no 0.256 0 0
1 59 LEU QB 27 no 100.0 99.5 5.362 5.391 0.029 12 4 no 0.181 0 0
1 59 LEU QD 13 no 100.0 99.9 9.106 9.117 0.012 16 6 no 0.162 0 0
1 64 TYR QB 80 no 100.0 100.0 1.525 1.525 0.000 6 0 no 0.053 0 0
1 65 GLU QB 85 no 95.0 98.1 0.080 0.081 0.002 6 1 no 0.110 0 0
1 65 GLU QG 64 no 95.0 99.5 0.634 0.637 0.003 7 1 no 0.110 0 0
1 66 GLN QB 91 no 100.0 98.8 0.286 0.290 0.004 6 2 no 0.096 0 0
1 66 GLN QG 16 no 100.0 99.3 5.434 5.471 0.037 14 3 no 0.208 0 0
1 67 LEU QB 127 no 100.0 99.5 3.891 3.909 0.018 4 0 no 0.177 0 0
1 67 LEU QD 11 no 100.0 99.9 32.806 32.824 0.018 16 1 no 0.169 0 0
1 69 PRO QD 73 yes 100.0 85.5 0.101 0.118 0.017 7 3 no 0.208 0 0
1 69 PRO QG 150 no 100.0 97.4 0.879 0.902 0.023 3 0 no 0.191 0 0
1 70 TYR QB 63 no 100.0 88.3 0.387 0.439 0.051 7 1 no 0.267 0 0
1 72 ASP QB 59 no 100.0 98.3 0.289 0.294 0.005 7 0 no 0.131 0 0
1 75 MET QG 32 no 100.0 97.7 0.951 0.973 0.022 11 2 no 0.228 0 0
1 76 LEU QB 175 yes 100.0 74.5 0.124 0.166 0.042 2 0 no 0.400 0 0
1 76 LEU QD 117 no 100.0 99.2 1.610 1.623 0.013 5 3 no 0.164 0 0
1 78 ASP QB 195 no 100.0 99.9 0.456 0.456 0.000 1 0 no 0.041 0 0
1 79 VAL QG 31 no 100.0 100.0 5.038 5.038 0.000 11 2 no 0.004 0 0
1 80 GLN QB 33 no 100.0 99.7 5.699 5.717 0.019 11 3 no 0.172 0 0
1 80 GLN QG 38 no 95.0 97.6 1.087 1.113 0.027 9 1 no 0.193 0 0
1 81 ARG QB 79 no 100.0 99.8 1.932 1.936 0.005 6 0 no 0.119 0 0
1 81 ARG QD 69 no 100.0 99.3 2.417 2.433 0.016 7 2 no 0.172 0 0
1 81 ARG QG 78 yes 100.0 100.0 0.181 0.181 0.000 6 0 no 0.000 0 0
1 82 GLU QB 41 no 95.0 52.9 0.189 0.358 0.169 9 2 no 0.347 0 0
1 82 GLU QG 149 no 100.0 99.9 3.819 3.822 0.003 3 0 no 0.077 0 0
1 85 PHE QB 58 no 100.0 99.0 0.053 0.054 0.001 7 0 no 0.083 0 0
1 86 SER QB 50 no 100.0 99.3 8.387 8.448 0.062 8 2 no 0.303 0 0
1 87 ARG QB 49 no 95.0 94.8 0.435 0.459 0.024 8 2 no 0.212 0 0
1 87 ARG QD 181 no 75.0 97.2 0.258 0.266 0.007 2 1 no 0.143 0 0
1 89 PRO QB 84 no 100.0 99.7 1.065 1.068 0.003 6 1 no 0.092 0 0
1 89 PRO QD 194 no 100.0 100.0 0.006 0.006 0.000 1 0 no 0.126 0 0
1 89 PRO QG 174 no 100.0 100.0 0.098 0.098 0.000 2 0 no 0.000 0 0
1 91 PRO QB 154 no 100.0 100.0 2.329 2.329 0.000 3 1 no 0.024 0 0
1 92 VAL QG 24 no 100.0 100.0 2.524 2.524 0.001 12 1 no 0.054 0 0
1 94 PHE QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 VAL QG 9 no 100.0 99.7 13.443 13.483 0.039 18 3 no 0.257 0 0
1 96 PHE QB 83 no 100.0 99.3 0.138 0.139 0.001 6 1 no 0.071 0 0
1 97 PRO QB 172 no 100.0 100.0 0.356 0.356 0.000 2 0 no 0.000 0 0
1 99 PRO QD 99 no 100.0 100.0 0.608 0.608 0.000 5 0 no 0.034 0 0
1 103 PRO QB 148 no 100.0 100.0 0.970 0.970 0.000 3 0 no 0.000 0 0
1 103 PRO QD 171 no 70.0 78.4 0.308 0.394 0.085 2 0 no 0.449 0 0
1 103 PRO QG 170 no 55.0 79.5 0.028 0.035 0.007 2 0 no 0.179 0 0
1 104 ARG QB 62 no 85.0 92.8 0.009 0.009 0.001 7 1 no 0.194 0 0
1 104 ARG QD 108 no 100.0 98.7 0.715 0.725 0.009 5 1 no 0.194 0 0
1 104 ARG QG 203 no 100.0 100.0 0.001 0.001 0.000 1 1 no 0.075 0 0
1 105 TRP QB 107 no 75.0 98.4 1.967 1.999 0.032 5 1 no 0.358 0 0
1 106 LEU QB 160 no 75.0 87.7 0.039 0.044 0.005 3 2 no 0.139 0 0
1 106 LEU QD 26 no 100.0 99.5 6.725 6.759 0.035 12 2 no 0.260 0 0
1 108 GLY QA 106 no 100.0 98.8 0.757 0.766 0.009 5 1 no 0.196 0 0
1 109 ARG QB 163 no 60.0 34.1 0.032 0.093 0.061 3 3 no 0.411 0 0
1 109 ARG QD 40 no 95.0 69.6 0.220 0.315 0.096 9 2 no 0.411 0 0
1 109 ARG QG 90 no 60.0 88.6 0.201 0.227 0.026 6 2 no 0.221 0 0
1 110 PHE QB 153 no 95.0 99.9 1.347 1.348 0.001 3 1 no 0.091 0 0
1 111 ASP QB 147 no 50.0 78.5 0.013 0.017 0.004 3 0 no 0.114 0 0
1 112 SER QB 36 no 100.0 99.9 4.218 4.221 0.003 10 3 no 0.092 0 0
1 113 LEU QD 77 no 95.0 99.4 0.961 0.967 0.006 6 0 no 0.165 0 0
1 115 VAL QG 10 no 100.0 100.0 30.288 30.293 0.005 17 4 no 0.107 0 0
1 117 VAL QG 8 no 100.0 99.8 11.881 11.903 0.021 18 2 no 0.146 0 0
1 119 ASP QB 120 no 50.0 98.9 0.648 0.655 0.007 5 4 no 0.129 0 0
1 121 PRO QB 159 no 100.0 100.0 1.012 1.012 0.000 3 2 no 0.038 0 0
1 121 PRO QD 30 no 70.0 58.0 0.052 0.090 0.038 11 2 no 0.181 0 0
1 121 PRO QG 89 no 100.0 100.0 5.666 5.666 0.000 6 2 no 0.017 0 0
1 122 LEU QB 126 no 80.0 21.4 0.012 0.054 0.043 4 0 no 0.232 0 0
1 122 LEU QD 193 no 85.0 97.3 0.018 0.018 0.000 1 0 no 0.155 0 0
1 123 VAL QG 2 no 100.0 99.6 36.645 36.800 0.155 30 11 no 0.261 0 0
1 124 VAL QG 29 no 100.0 100.0 6.996 6.996 0.000 11 1 no 0.006 0 0
1 126 LEU QB 88 no 100.0 100.0 1.696 1.696 0.000 6 2 no 0.019 0 0
1 126 LEU QD 115 no 95.0 100.0 0.259 0.259 0.000 5 2 no 0.000 0 0
1 127 CYS QB 7 yes 100.0 100.0 0.161 0.161 0.000 18 2 no 0.000 0 0
1 128 GLN QB 46 yes 100.0 100.0 0.289 0.289 0.000 8 0 no 0.000 0 0
1 128 GLN QG 28 yes 100.0 35.5 0.171 0.481 0.311 11 0 no 0.411 0 0
1 130 TYR QB 125 yes 100.0 100.0 0.247 0.247 0.000 4 0 no 0.000 0 0
1 131 GLY QA 169 no 5.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 132 LYS QB 180 no 100.0 100.0 0.051 0.051 0.000 2 1 no 0.261 0 0
1 133 PRO QB 68 no 100.0 99.5 0.954 0.959 0.005 7 2 no 0.107 0 0
1 133 PRO QD 44 yes 100.0 100.0 0.325 0.325 0.000 9 4 no 0.000 0 0
1 133 PRO QG 185 no 100.0 100.0 0.479 0.479 0.000 2 2 no 0.000 0 0
1 134 LEU QB 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 134 LEU QD 35 no 100.0 100.0 5.239 5.240 0.001 10 2 no 0.124 0 0
1 135 VAL QG 4 no 100.0 99.8 25.299 25.339 0.040 25 9 no 0.183 0 0
1 136 SER QB 48 no 100.0 99.6 0.348 0.349 0.002 8 1 no 0.076 0 0
1 138 SER QB 146 no 100.0 100.0 1.168 1.169 0.001 3 0 no 0.064 0 0
1 140 ASN QB 116 no 100.0 99.8 1.781 1.784 0.003 5 3 no 0.843 0 1
1 141 LEU QB 136 yes 95.0 62.3 0.154 0.247 0.093 4 2 no 0.881 0 3
1 141 LEU QD 87 no 100.0 88.9 2.834 3.188 0.354 6 2 no 0.552 0 1
1 142 SER QB 114 no 65.0 79.1 0.002 0.002 0.000 5 2 no 0.047 0 0
1 143 GLY QA 145 no 95.0 92.6 0.039 0.042 0.003 3 0 no 0.264 0 0
1 144 LEU QB 105 no 100.0 100.0 3.516 3.516 0.001 5 1 no 0.103 0 0
1 146 PRO QB 113 no 100.0 100.0 2.948 2.948 0.000 5 2 no 0.041 0 0
1 146 PRO QD 192 no 100.0 100.0 0.733 0.733 0.000 1 0 no 0.010 0 0
1 146 PRO QG 191 no 35.0 99.9 0.094 0.094 0.000 1 0 no 0.029 0 0
1 148 ARG QB 112 no 100.0 99.0 2.456 2.480 0.024 5 2 no 0.192 0 0
1 148 ARG QD 162 no 70.0 100.0 0.626 0.626 0.000 3 3 no 0.000 0 0
1 148 ARG QG 152 no 100.0 98.7 1.391 1.409 0.018 3 1 no 0.138 0 0
1 150 VAL QG 15 no 100.0 99.7 13.066 13.103 0.037 14 3 no 0.158 0 0
1 151 ASP QB 144 no 20.0 75.1 0.000 0.001 0.000 3 0 no 0.035 0 0
1 152 GLU QB 45 yes 100.0 100.0 0.127 0.127 0.000 8 0 no 0.000 0 0
1 152 GLU QG 25 no 100.0 98.1 1.030 1.050 0.020 12 2 no 0.190 0 0
1 153 VAL QG 1 no 100.0 99.8 50.130 50.241 0.111 33 6 no 0.233 0 0
1 154 ARG QB 111 no 100.0 99.5 0.057 0.057 0.000 5 2 no 0.311 0 0
1 154 ARG QD 57 no 100.0 100.0 0.290 0.290 0.000 7 0 no 0.000 0 0
1 154 ARG QG 202 no 100.0 100.0 1.253 1.253 0.000 1 1 no 0.000 0 0
1 156 GLN QB 168 no 45.0 94.9 2.646 2.788 0.142 2 0 no 0.392 0 0
1 156 GLN QG 76 no 90.0 86.3 0.994 1.152 0.157 6 0 no 0.560 0 2
1 157 PHE QB 67 no 30.0 95.9 0.160 0.166 0.007 7 2 no 0.127 0 0
1 158 GLY QA 140 no 100.0 99.6 3.743 3.758 0.015 4 3 no 0.156 0 0
1 162 PRO QD 123 no 100.0 100.0 1.721 1.721 0.000 4 0 no 0.000 0 0
1 162 PRO QG 75 no 100.0 100.0 0.016 0.016 0.000 6 0 no 0.160 0 0
1 163 VAL QG 12 no 100.0 99.6 14.849 14.910 0.061 16 4 no 0.278 0 0
1 164 VAL QG 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 165 PRO QB 135 no 100.0 94.8 2.277 2.401 0.125 4 2 no 0.278 0 0
1 165 PRO QD 104 no 100.0 100.0 0.027 0.027 0.000 5 1 no 0.185 0 0
1 165 PRO QG 139 no 100.0 100.0 0.029 0.029 0.000 4 3 no 0.000 0 0
1 166 GLY QA 179 no 100.0 95.2 0.782 0.821 0.040 2 1 no 0.230 0 0
1 167 GLU QB 143 no 60.0 88.6 0.006 0.007 0.001 3 0 no 0.100 0 0
1 167 GLU QG 122 no 95.0 99.7 0.130 0.131 0.000 4 0 no 0.062 0 0
1 169 GLY QA 190 no 70.0 77.4 0.054 0.070 0.016 1 0 no 0.270 0 0
1 171 ARG QB 103 no 30.0 76.8 0.015 0.020 0.005 5 1 no 0.188 0 0
1 171 ARG QD 151 no 80.0 95.6 0.317 0.331 0.015 3 1 no 0.219 0 0
1 172 LEU QB 134 no 10.0 62.2 0.009 0.015 0.006 4 2 no 0.187 0 0
1 172 LEU QD 86 no 95.0 98.9 0.543 0.549 0.006 6 2 no 0.211 0 0
1 173 ASN QB 189 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 175 SER QB 188 no 55.0 97.5 0.012 0.013 0.000 1 0 no 0.052 0 0
1 176 GLU QB 128 no 90.0 59.0 0.069 0.117 0.048 4 1 no 0.338 0 0
1 176 GLU QG 61 no 95.0 98.8 1.480 1.497 0.018 7 1 no 0.134 0 0
1 178 ARG QB 121 no 80.0 96.7 0.121 0.125 0.004 4 0 no 0.182 0 0
1 178 ARG QD 142 no 100.0 76.0 0.591 0.778 0.187 3 0 no 0.463 0 0
1 178 ARG QG 187 no 85.0 97.4 0.524 0.538 0.014 1 0 no 0.307 0 0
1 179 ASP QB 98 no 5.0 100.0 0.021 0.021 0.000 5 0 no 0.000 0 0
1 181 LEU QB 56 no 100.0 99.9 0.728 0.729 0.001 7 0 no 0.070 0 0
1 181 LEU QD 74 no 100.0 100.0 1.176 1.176 0.000 6 0 no 0.000 0 0
1 183 GLY QA 141 no 100.0 99.2 0.207 0.209 0.002 3 0 no 0.107 0 0
1 184 GLU QB 102 no 90.0 99.3 1.184 1.193 0.008 5 1 no 0.192 0 0
1 184 GLU QG 47 no 100.0 95.8 2.347 2.450 0.102 8 1 no 0.354 0 0
1 185 LEU QB 158 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 185 LEU QD 14 no 100.0 99.9 9.482 9.487 0.006 15 4 no 0.131 0 0
1 186 PHE QB 166 no 55.0 99.8 0.060 0.060 0.000 2 0 no 0.030 0 0
1 187 ARG QB 184 no 20.0 99.5 0.068 0.068 0.000 2 2 no 0.070 0 0
1 187 ARG QD 42 no 100.0 97.5 0.923 0.947 0.024 9 3 no 0.497 0 0
1 187 ARG QG 82 no 80.0 98.7 1.346 1.363 0.017 6 1 no 0.224 0 0
1 188 GLN QB 186 no 55.0 99.1 0.013 0.013 0.000 1 0 no 0.036 0 0
1 188 GLN QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 14, 2024 11:13:26 AM GMT (wattos1)