NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447441 |
2kpo   |
16562 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kpo
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 193
_Stereo_assign_list.Swap_count 63
_Stereo_assign_list.Swap_percentage 32.6
_Stereo_assign_list.Deassign_count 1
_Stereo_assign_list.Deassign_percentage 0.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 13.521
_Stereo_assign_list.Total_e_high_states 329.121
_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 MET QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 1 MET QG 49 yes 75.0 51.4 0.109 0.213 0.103 23 11 no 0.063 0 0
1 2 LEU QB 161 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.015 0 0
1 2 LEU QD 12 no 100.0 90.9 9.175 10.097 0.922 47 26 no 0.308 0 0
1 3 LEU QB 54 no 100.0 0.0 0.000 0.000 0.000 22 8 no 0.038 0 0
1 3 LEU QD 2 no 100.0 99.8 15.686 15.720 0.034 71 33 no 0.063 0 0
1 4 TYR QB 53 no 100.0 0.0 0.000 0.000 0.000 22 8 no 0.000 0 0
1 5 VAL QG 13 no 100.0 99.6 8.006 8.034 0.029 45 16 no 0.000 0 0
1 6 LEU QB 57 yes 100.0 100.0 0.264 0.264 0.000 22 10 no 0.000 0 0
1 6 LEU QD 9 no 100.0 99.8 22.805 22.839 0.035 49 17 no 0.054 0 0
1 7 ILE QG 32 yes 100.0 100.0 0.464 0.464 0.000 27 8 no 0.000 0 0
1 8 ILE QG 59 yes 95.0 59.3 0.455 0.766 0.312 21 4 no 0.080 0 0
1 9 SER QB 56 no 100.0 0.0 0.000 0.000 0.000 22 10 no 0.000 0 0
1 10 ASN QB 155 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.019 0 0
1 10 ASN QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 ASP QB 90 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.000 0 0
1 12 LYS QB 100 yes 100.0 100.0 0.353 0.353 0.000 12 2 no 0.000 0 0
1 12 LYS QD 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 12 LYS QE 179 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.022 0 0
1 12 LYS QG 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 13 LYS QB 115 yes 100.0 100.0 0.460 0.460 0.000 10 3 no 0.000 0 0
1 13 LYS QD 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.041 0 0
1 13 LYS QE 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 13 LYS QG 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 LEU QB 25 yes 100.0 67.1 0.383 0.571 0.188 29 12 no 0.000 0 0
1 14 LEU QD 4 no 100.0 98.4 17.451 17.731 0.280 61 22 no 0.062 0 0
1 15 ILE QG 23 yes 80.0 58.1 0.417 0.717 0.300 29 9 no 0.028 0 0
1 16 GLU QB 114 yes 95.0 99.9 0.430 0.430 0.000 10 2 no 0.051 0 0
1 16 GLU QG 154 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 17 GLU QB 60 yes 100.0 90.8 1.711 1.884 0.173 21 8 no 0.060 0 0
1 17 GLU QG 129 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 19 ARG QB 71 yes 100.0 100.0 0.536 0.536 0.000 19 4 no 0.015 0 0
1 19 ARG QD 82 no 100.0 0.0 0.000 0.097 0.097 16 4 no 0.031 0 0
1 19 ARG QG 113 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.032 0 0
1 20 LYS QB 130 no 100.0 100.0 0.035 0.035 0.000 8 1 no 0.444 0 0
1 20 LYS QD 153 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.097 0 0
1 20 LYS QE 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 LYS QG 152 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 21 MET QB 58 yes 100.0 100.0 0.200 0.200 0.000 21 2 no 0.000 0 0
1 21 MET QG 43 yes 100.0 100.0 0.492 0.493 0.000 24 8 no 0.034 0 0
1 23 GLU QB 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 23 GLU QG 109 yes 100.0 100.0 1.319 1.319 0.000 11 1 no 0.056 0 0
1 24 LYS QB 108 yes 100.0 100.0 0.733 0.733 0.000 11 0 no 0.000 0 0
1 24 LYS QD 144 no 80.0 98.0 0.038 0.038 0.001 7 0 no 0.391 0 0
1 24 LYS QE 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 LYS QG 151 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.190 0 0
1 26 ASN QB 105 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 26 ASN QD 142 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.023 0 0
1 27 LEU QB 69 no 100.0 100.0 0.006 0.006 0.000 20 9 no 0.162 0 0
1 27 LEU QD 10 no 100.0 100.0 6.180 6.182 0.002 48 18 no 0.143 0 0
1 28 GLU QB 88 no 100.0 99.1 0.008 0.008 0.000 15 2 no 0.301 0 0
1 28 GLU QG 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 29 LEU QB 34 yes 100.0 53.3 1.165 2.185 1.020 26 10 no 0.056 0 0
1 29 LEU QD 8 no 100.0 99.7 12.342 12.375 0.033 49 12 no 0.032 0 0
1 30 ARG QB 77 yes 100.0 99.9 0.281 0.282 0.000 18 7 no 0.037 0 0
1 30 ARG QD 119 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.012 0 0
1 30 ARG QG 135 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 32 VAL QG 7 no 100.0 100.0 15.942 15.948 0.006 50 21 no 0.075 0 0
1 33 LYS QB 136 yes 100.0 100.0 0.344 0.344 0.000 8 3 no 0.000 0 0
1 33 LYS QD 121 no 90.0 90.5 0.012 0.013 0.001 9 2 no 0.149 0 0
1 33 LYS QE 104 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 33 LYS QG 74 yes 90.0 99.8 0.317 0.317 0.001 19 6 no 0.073 0 0
1 35 GLU QB 95 yes 100.0 99.8 1.130 1.133 0.003 13 5 no 0.199 0 0
1 35 GLU QG 171 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.125 0 0
1 36 ASP QB 87 yes 100.0 76.7 2.102 2.741 0.640 15 2 no 0.101 0 0
1 37 GLU QB 66 yes 100.0 99.9 0.113 0.113 0.000 20 4 no 0.037 0 0
1 37 GLU QG 86 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 38 LEU QB 35 yes 100.0 100.0 0.789 0.789 0.000 26 11 no 0.021 0 0
1 38 LEU QD 24 no 100.0 99.6 4.943 4.965 0.021 29 12 no 0.355 0 0
1 39 LYS QB 29 yes 100.0 88.8 4.832 5.439 0.606 28 12 no 0.030 0 0
1 39 LYS QD 193 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 39 LYS QE 141 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.099 0 0
1 39 LYS QG 48 yes 100.0 100.0 0.385 0.385 0.000 23 10 no 0.032 0 0
1 40 LYS QB 27 yes 100.0 93.7 0.711 0.759 0.048 28 9 no 0.022 0 0
1 40 LYS QD 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 40 LYS QE 140 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.022 0 0
1 40 LYS QG 97 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 41 TYR QB 28 no 100.0 100.0 0.034 0.034 0.000 28 12 no 0.355 0 0
1 42 LEU QB 21 yes 100.0 100.0 0.604 0.604 0.000 30 10 no 0.000 0 0
1 42 LEU QD 16 no 100.0 95.7 17.130 17.894 0.764 43 17 no 0.032 0 0
1 43 GLU QB 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 GLU QG 134 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 44 GLU QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 44 GLU QG 79 yes 100.0 99.8 0.939 0.940 0.002 16 2 no 0.167 0 0
1 45 PHE QB 62 yes 100.0 100.0 0.333 0.333 0.000 21 10 no 0.028 0 0
1 46 ARG QB 92 yes 95.0 93.8 0.486 0.518 0.032 14 7 no 0.759 0 1
1 46 ARG QD 96 no 100.0 0.0 0.000 0.001 0.001 12 0 no 0.113 0 0
1 46 ARG QG 103 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 47 LYS QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 LYS QD 112 no 100.0 0.0 0.000 0.001 0.001 10 2 no 0.084 0 0
1 47 LYS QE 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 47 LYS QG 128 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.020 0 0
1 48 GLU QB 30 yes 100.0 87.0 7.022 8.067 1.045 27 7 no 0.041 0 0
1 48 GLU QG 133 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 49 SER QB 81 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.059 0 0
1 50 GLN QB 106 no 100.0 100.0 0.018 0.018 0.000 12 7 no 0.308 0 0
1 50 GLN QE 192 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 50 GLN QG 83 yes 100.0 99.8 0.506 0.507 0.001 16 5 no 0.059 0 0
1 51 ASN QB 52 yes 100.0 100.0 1.162 1.162 0.000 22 7 no 0.041 0 0
1 51 ASN QD 47 yes 100.0 99.8 2.031 2.034 0.003 23 10 no 0.093 0 0
1 52 ILE QG 42 yes 95.0 76.4 0.403 0.527 0.124 24 7 no 0.000 0 0
1 53 LYS QB 20 yes 100.0 90.5 0.591 0.653 0.062 32 14 no 0.505 0 1
1 53 LYS QD 55 no 100.0 99.6 0.062 0.062 0.000 22 10 no 0.505 0 1
1 53 LYS QE 118 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 53 LYS QG 73 yes 100.0 99.9 3.061 3.065 0.004 19 5 no 0.098 0 0
1 54 VAL QG 11 no 100.0 100.0 8.457 8.457 0.000 47 13 no 0.012 0 0
1 55 LEU QB 39 no 100.0 100.0 0.014 0.014 0.000 25 10 no 0.397 0 0
1 55 LEU QD 1 no 100.0 100.0 16.111 16.111 0.000 73 25 no 0.031 0 0
1 56 ILE QG 26 yes 100.0 100.0 1.843 1.843 0.000 28 4 no 0.000 0 0
1 57 LEU QB 22 yes 100.0 100.0 0.609 0.609 0.000 30 11 no 0.000 0 0
1 57 LEU QD 6 no 100.0 100.0 14.133 14.137 0.004 50 17 no 0.108 0 0
1 58 VAL QG 5 no 100.0 99.3 12.856 12.943 0.087 60 19 no 0.480 0 0
1 59 SER QB 150 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 60 ASN QB 94 yes 100.0 99.8 0.552 0.554 0.001 13 5 no 0.121 0 0
1 60 ASN QD 64 yes 100.0 95.0 1.335 1.405 0.070 21 11 no 0.709 0 3
1 61 ASP QB 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 62 GLU QB 158 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.035 0 0
1 62 GLU QG 157 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.054 0 0
1 63 GLU QB 31 no 40.0 33.4 0.262 0.784 0.522 27 8 no 0.709 0 6
1 63 GLU QG 63 yes 80.0 47.1 0.295 0.626 0.331 21 11 no 0.121 0 0
1 64 LEU QB 19 yes 100.0 93.5 5.407 5.781 0.374 34 12 yes 1.197 3 7
1 64 LEU QD 14 no 100.0 86.2 5.327 6.180 0.853 45 18 no 0.391 0 0
1 65 ASP QB 46 yes 90.0 83.9 5.262 6.274 1.012 23 10 no 0.098 0 0
1 66 LYS QB 36 yes 100.0 81.3 2.392 2.941 0.550 26 12 no 0.032 0 0
1 66 LYS QD 50 yes 100.0 85.1 6.558 7.703 1.145 23 15 no 0.185 0 0
1 66 LYS QE 139 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 66 LYS QG 78 yes 100.0 92.3 5.675 6.146 0.471 17 7 no 0.000 0 0
1 68 LYS QB 65 yes 100.0 100.0 0.502 0.502 0.000 20 3 no 0.019 0 0
1 68 LYS QD 149 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 68 LYS QE 84 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.029 0 0
1 68 LYS QG 41 yes 100.0 98.8 1.416 1.434 0.018 24 6 no 0.087 0 0
1 69 GLU QB 68 yes 100.0 99.9 3.855 3.858 0.003 20 9 no 0.107 0 0
1 69 GLU QG 85 yes 100.0 99.3 0.870 0.876 0.006 16 7 no 0.177 0 0
1 70 LEU QB 44 yes 100.0 100.0 0.853 0.853 0.000 24 12 no 0.030 0 0
1 70 LEU QD 15 no 100.0 97.7 23.616 24.182 0.566 45 19 no 0.199 0 0
1 72 GLN QB 80 yes 100.0 98.6 0.147 0.149 0.002 16 4 no 0.104 0 0
1 72 GLN QE 160 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 72 GLN QG 99 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 73 LYS QB 120 yes 100.0 100.0 0.292 0.292 0.000 9 2 no 0.019 0 0
1 73 LYS QD 148 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 73 LYS QE 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 LYS QG 67 yes 95.0 93.5 4.355 4.656 0.302 20 6 no 0.097 0 0
1 74 MET QB 70 yes 95.0 97.1 0.212 0.219 0.006 19 4 no 0.207 0 0
1 74 MET QG 127 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 75 GLU QB 132 yes 100.0 99.9 0.910 0.911 0.001 8 2 no 0.081 0 0
1 75 GLU QG 126 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 76 ILE QG 18 no 75.0 57.1 0.190 0.333 0.143 37 16 no 0.759 0 3
1 77 ASP QB 147 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 78 VAL QG 17 no 100.0 99.3 7.538 7.591 0.053 38 5 no 0.059 0 0
1 79 ARG QB 111 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 79 ARG QD 125 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.074 0 0
1 79 ARG QG 191 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 81 ARG QB 138 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.006 0 0
1 81 ARG QD 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 ARG QG 156 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 82 LYS QB 38 no 100.0 100.0 0.078 0.078 0.000 26 16 no 0.523 0 1
1 82 LYS QD 33 yes 100.0 100.0 0.170 0.170 0.000 26 8 no 0.000 0 0
1 82 LYS QE 91 no 100.0 100.0 0.023 0.023 0.000 14 7 no 0.473 0 0
1 82 LYS QG 76 yes 100.0 100.0 0.510 0.510 0.000 18 5 no 0.036 0 0
1 83 VAL QG 3 no 100.0 99.6 11.468 11.513 0.045 65 15 no 0.297 0 0
1 85 SER QB 143 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.032 0 0
1 86 PRO QB 72 no 100.0 99.9 1.466 1.467 0.001 19 5 no 0.062 0 0
1 86 PRO QD 93 yes 100.0 100.0 0.213 0.213 0.000 13 4 no 0.000 0 0
1 86 PRO QG 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 ASP QB 137 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 88 GLU QB 40 no 100.0 100.0 0.012 0.012 0.000 24 3 no 0.336 0 0
1 88 GLU QG 51 no 100.0 100.0 0.045 0.045 0.000 22 5 no 0.442 0 0
1 90 LYS QB 89 yes 100.0 100.0 0.193 0.193 0.000 15 4 no 0.016 0 0
1 90 LYS QD 75 yes 100.0 99.8 1.173 1.175 0.002 19 8 no 0.083 0 0
1 90 LYS QG 45 no 85.0 54.1 0.060 0.111 0.051 23 9 no 0.142 0 0
1 91 ARG QB 117 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 91 ARG QD 102 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 91 ARG QG 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 TRP QB 37 no 100.0 100.0 0.001 0.001 0.000 26 15 no 0.116 0 0
1 93 ILE QG 61 no 100.0 100.0 0.016 0.016 0.000 21 9 no 0.315 0 0
1 94 LYS QB 110 yes 100.0 100.0 0.754 0.754 0.000 10 0 no 0.039 0 0
1 94 LYS QD 146 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 94 LYS QE 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 94 LYS QG 124 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 95 GLU QB 123 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 95 GLU QG 122 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 96 PHE QB 116 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.009 0 0
1 97 SER QB 101 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.014 0 0
1 98 GLU QG 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 99 GLU QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.073 0 0
1 99 GLU QG 145 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.028 0 0
1 100 GLY QA 159 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.025 0 0
1 101 GLY QA 107 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.050 0 0
1 102 SER QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 LEU QB 131 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 103 LEU QD 98 no 100.0 99.4 0.067 0.067 0.000 12 2 no 0.092 0 0
1 104 GLU QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 GLU QG 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
stop_
save_
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