NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
519335 |
2l10   |
17070 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2l10
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 209
_Stereo_assign_list.Swap_count 8
_Stereo_assign_list.Swap_percentage 3.8
_Stereo_assign_list.Deassign_count 29
_Stereo_assign_list.Deassign_percentage 13.9
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 24.781
_Stereo_assign_list.Total_e_high_states 312.061
_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 156 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 3 ASP QB 141 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.084 0 0
1 4 PRO QB 124 no 100.0 0.0 0.000 0.000 0.000 10 7 no 0.000 0 0
1 4 PRO QD 38 no 90.0 93.3 0.005 0.006 0.000 19 13 no 0.203 0 0
1 4 PRO QG 93 no 100.0 100.0 0.001 0.001 0.000 13 8 no 0.153 0 0
1 5 PHE QB 135 no 5.0 100.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 7 GLN QB 160 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 7 GLN QE 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 ARG QB 112 no 40.0 45.2 0.029 0.064 0.035 11 5 no 0.606 0 1
1 8 ARG QD 209 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 8 ARG QG 152 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 9 ASP QB 114 no 55.0 100.0 0.052 0.052 0.000 10 0 no 0.000 0 0
1 10 VAL QG 25 no 85.0 76.8 2.916 3.795 0.879 23 10 yes 1.994 4 13
1 11 ASP QB 97 no 80.0 58.7 0.118 0.202 0.083 12 4 no 0.826 0 2
1 12 ASN QB 68 yes 90.0 98.9 0.128 0.130 0.001 15 5 no 0.084 0 0
1 12 ASN QD 151 no 75.0 100.0 0.240 0.240 0.000 7 4 no 0.000 0 0
1 14 LEU QB 96 no 100.0 100.0 1.043 1.043 0.000 12 3 no 0.017 0 0
1 14 LEU QD 10 no 95.0 95.8 19.127 19.968 0.841 33 16 yes 2.152 5 6
1 15 ARG QB 126 no 100.0 100.0 0.098 0.098 0.000 9 1 no 0.000 0 0
1 15 ARG QD 199 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 15 ARG QG 171 yes 80.0 91.1 0.507 0.556 0.049 5 4 no 0.401 0 0
1 17 VAL QG 11 no 100.0 99.1 14.524 14.660 0.137 31 11 no 0.656 0 6
1 18 GLY QA 166 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 19 ASP QB 43 no 60.0 8.0 0.123 1.535 1.412 18 8 yes 1.308 12 17
1 21 SER QB 170 no 100.0 0.0 0.000 0.000 0.000 5 4 no 0.000 0 0
1 22 LYS QB 159 no 70.0 68.3 0.456 0.668 0.212 6 1 no 0.959 0 6
1 22 LYS QD 195 no 15.0 84.3 0.014 0.017 0.003 2 0 no 0.231 0 0
1 22 LYS QE 201 no 10.0 100.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 22 LYS QG 80 no 40.0 61.9 0.102 0.165 0.063 14 2 no 0.769 0 2
1 23 ARG QB 189 no 55.0 94.5 0.652 0.691 0.038 3 1 no 0.705 0 1
1 23 ARG QD 184 no 40.0 13.0 0.002 0.017 0.015 4 2 no 0.214 0 0
1 23 ARG QG 136 no 40.0 13.9 0.002 0.017 0.015 8 1 no 0.214 0 0
1 24 LEU QB 101 no 95.0 93.8 0.667 0.711 0.044 12 5 no 0.090 0 0
1 24 LEU QD 17 no 100.0 100.0 6.278 6.280 0.002 27 12 no 0.090 0 0
1 25 LEU QB 83 no 75.0 47.5 0.002 0.005 0.002 14 6 no 0.000 0 0
1 25 LEU QD 37 no 80.0 78.8 1.293 1.642 0.349 19 12 yes 1.053 1 12
1 26 SER QB 134 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.096 0 0
1 27 ASP QB 155 no 10.0 100.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 28 LEU QD 145 no 60.0 4.8 0.001 0.028 0.027 7 0 no 0.277 0 0
1 29 LEU QB 100 no 55.0 61.7 0.342 0.553 0.212 12 5 no 0.795 0 9
1 29 LEU QD 122 no 50.0 56.0 0.395 0.705 0.310 10 5 yes 1.007 1 10
1 30 PRO QB 105 no 30.0 53.5 0.014 0.027 0.013 12 8 no 0.301 0 0
1 30 PRO QD 50 no 90.0 71.9 0.828 1.152 0.324 17 10 no 0.830 0 12
1 31 PRO QB 102 no 5.0 100.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 31 PRO QD 78 no 15.0 73.0 0.002 0.003 0.001 15 10 no 0.117 0 0
1 31 PRO QG 208 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 32 SER QB 154 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.129 0 0
1 34 GLY QA 163 no 20.0 37.2 0.006 0.017 0.011 5 0 no 0.460 0 0
1 36 PHE QB 85 no 50.0 46.0 0.219 0.477 0.258 13 2 no 0.323 0 0
1 37 GLN QB 148 no 55.0 100.0 0.025 0.025 0.000 7 2 no 0.000 0 0
1 37 GLN QE 169 no 10.0 0.3 0.000 0.001 0.001 5 3 no 0.077 0 0
1 37 GLN QG 150 no 100.0 100.0 0.000 0.000 0.000 7 4 no 0.016 0 0
1 38 GLU QB 117 no 80.0 27.5 0.010 0.037 0.027 10 2 no 0.484 0 0
1 40 GLN QB 54 no 90.0 85.4 0.279 0.327 0.048 16 6 no 0.457 0 0
1 40 GLN QE 123 no 50.0 49.0 0.027 0.056 0.028 10 6 no 0.754 0 1
1 40 GLN QG 45 no 15.0 39.2 0.017 0.044 0.027 18 9 no 0.446 0 0
1 42 ARG QB 67 no 25.0 99.7 0.052 0.052 0.000 15 5 no 0.048 0 0
1 42 ARG QD 194 no 10.0 88.2 0.036 0.041 0.005 2 0 no 0.305 0 0
1 42 ARG QG 42 no 40.0 38.3 0.109 0.285 0.176 18 8 no 0.827 0 1
1 43 LEU QB 30 no 45.0 39.8 0.205 0.515 0.310 21 8 yes 1.085 3 7
1 43 LEU QD 5 no 90.0 90.8 8.628 9.504 0.876 39 18 yes 1.193 8 17
1 44 ASN QB 29 no 85.0 100.0 0.482 0.482 0.000 21 7 no 0.000 0 0
1 44 ASN QD 75 no 25.0 77.0 0.092 0.120 0.028 15 7 no 0.446 0 0
1 45 GLU QB 179 no 65.0 53.8 0.167 0.311 0.144 4 1 no 0.612 0 7
1 45 GLU QG 108 no 45.0 71.3 0.039 0.055 0.016 11 2 no 0.311 0 0
1 49 GLY QA 82 no 100.0 99.5 2.933 2.949 0.016 14 6 no 0.367 0 0
1 50 LEU QB 34 no 100.0 100.0 0.399 0.399 0.000 19 8 no 0.000 0 0
1 50 LEU QD 1 no 100.0 100.0 4.709 4.709 0.000 48 12 no 0.018 0 0
1 51 ASN QB 84 no 100.0 100.0 4.861 4.861 0.000 14 7 no 0.067 0 0
1 51 ASN QD 63 no 20.0 32.9 0.006 0.019 0.013 15 1 no 0.391 0 0
1 52 GLN QB 47 no 60.0 100.0 0.003 0.003 0.000 17 7 no 0.000 0 0
1 52 GLN QE 183 no 55.0 99.5 0.222 0.223 0.001 4 2 no 0.123 0 0
1 52 GLN QG 182 no 40.0 52.7 0.545 1.034 0.489 4 2 yes 1.222 2 14
1 56 GLU QB 175 no 100.0 100.0 1.504 1.504 0.000 4 0 no 0.000 0 0
1 56 GLU QG 81 no 65.0 97.9 0.254 0.260 0.005 14 4 no 0.258 0 0
1 57 LEU QB 46 no 100.0 99.9 0.486 0.486 0.001 17 7 no 0.014 0 0
1 57 LEU QD 2 no 95.0 91.3 12.157 13.319 1.162 47 13 yes 2.147 9 12
1 58 VAL QG 16 yes 100.0 98.2 3.380 3.441 0.061 27 5 no 0.330 0 0
1 59 GLN QB 140 no 75.0 63.7 0.044 0.068 0.025 8 3 no 0.342 0 0
1 59 GLN QG 110 no 40.0 81.7 0.006 0.008 0.001 11 3 no 0.197 0 0
1 61 SER QB 60 yes 95.0 66.9 0.176 0.263 0.087 16 10 no 0.330 0 0
1 62 ARG QB 119 no 90.0 4.9 0.027 0.556 0.529 10 3 no 0.924 0 3
1 62 ARG QG 109 no 55.0 72.1 0.355 0.493 0.138 11 3 yes 1.565 3 9
1 63 GLY QA 146 no 85.0 33.1 0.145 0.438 0.293 7 1 no 0.960 0 5
1 65 PRO QB 190 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 65 PRO QD 66 no 25.0 88.6 0.005 0.005 0.001 15 5 no 0.107 0 0
1 65 PRO QG 121 no 20.0 77.6 0.007 0.009 0.002 10 5 no 0.144 0 0
1 66 GLN QB 120 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 66 GLN QE 172 no 5.0 100.0 0.000 0.000 0.000 5 5 no 0.000 0 0
1 66 GLN QG 77 no 100.0 99.7 0.863 0.866 0.003 15 8 no 0.121 0 0
1 67 ASP QB 62 no 90.0 77.7 1.201 1.545 0.344 15 1 yes 1.316 4 5
1 68 LEU QB 40 no 100.0 96.8 0.466 0.481 0.016 18 5 no 0.022 0 0
1 68 LEU QD 28 no 70.0 28.6 0.108 0.379 0.270 21 6 yes 0.769 0 12
1 70 ARG QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 ARG QG 128 no 70.0 24.8 0.027 0.109 0.082 9 3 no 0.863 0 2
1 72 SER QB 41 no 65.0 35.0 0.274 0.781 0.508 18 7 yes 1.710 1 12
1 73 GLY QA 139 no 100.0 99.7 1.978 1.984 0.006 8 3 no 0.119 0 0
1 74 ARG QB 205 no 100.0 100.0 1.291 1.291 0.000 1 0 no 0.055 0 0
1 75 PHE QB 33 no 20.0 100.0 0.000 0.000 0.000 19 7 no 0.000 0 0
1 76 GLY QA 21 no 100.0 38.3 0.275 0.718 0.443 24 9 no 0.035 0 0
1 77 GLN QB 165 no 95.0 90.4 0.133 0.147 0.014 5 1 no 0.499 0 0
1 77 GLN QE 188 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 77 GLN QG 204 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 78 ASP QB 203 no 60.0 100.0 0.129 0.129 0.000 1 0 no 0.000 0 0
1 79 PHE QB 20 no 100.0 100.0 1.135 1.135 0.000 25 11 no 0.018 0 0
1 80 SER QB 158 no 95.0 99.4 0.000 0.000 0.000 6 1 no 0.018 0 0
1 82 PHE QB 27 no 100.0 100.0 0.347 0.347 0.000 22 7 no 0.003 0 0
1 83 LEU QB 39 no 100.0 99.7 0.134 0.135 0.000 18 4 no 0.089 0 0
1 83 LEU QD 23 no 95.0 95.3 20.092 21.080 0.988 23 5 yes 2.171 8 9
1 84 GLU QB 49 no 100.0 96.6 0.963 0.997 0.034 17 9 no 0.000 0 0
1 84 GLU QG 58 no 100.0 100.0 0.468 0.468 0.000 16 7 no 0.000 0 0
1 86 GLY QA 18 no 100.0 92.5 1.306 1.411 0.106 27 13 yes 1.443 1 1
1 87 VAL QG 19 no 75.0 84.9 3.166 3.729 0.563 25 8 yes 1.773 4 10
1 88 GLU QB 53 no 95.0 99.6 0.141 0.142 0.001 16 6 no 0.079 0 0
1 88 GLU QG 65 no 55.0 47.8 0.046 0.097 0.051 15 5 no 0.592 0 1
1 89 MET QB 187 no 85.0 94.9 0.111 0.117 0.006 3 1 no 0.286 0 0
1 89 MET QG 71 no 75.0 57.3 0.332 0.580 0.247 15 6 no 0.748 0 1
1 91 GLY QA 127 no 100.0 81.5 0.621 0.761 0.140 9 2 no 0.000 0 0
1 92 GLN QB 74 no 60.0 52.9 0.175 0.330 0.155 15 7 yes 1.433 2 5
1 92 GLN QE 143 no 35.0 95.7 0.076 0.079 0.003 8 5 no 0.180 0 0
1 92 GLN QG 59 no 70.0 70.9 0.559 0.788 0.229 16 9 yes 1.026 2 7
1 94 PRO QB 131 no 55.0 100.0 0.001 0.001 0.000 9 5 no 0.000 0 0
1 94 PRO QD 36 no 100.0 90.7 2.728 3.007 0.279 19 10 no 0.859 0 8
1 94 PRO QG 130 no 75.0 99.9 0.088 0.088 0.000 9 5 no 0.038 0 0
1 95 SER QB 133 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 97 GLU QB 92 no 10.0 88.0 0.000 0.000 0.000 13 7 no 0.029 0 0
1 97 GLU QG 113 no 95.0 96.3 0.000 0.000 0.000 11 6 no 0.037 0 0
1 98 ASP QB 52 no 60.0 19.5 0.183 0.941 0.758 16 6 yes 1.225 5 18
1 99 ARG QB 107 no 100.0 100.0 0.207 0.207 0.000 11 2 no 0.022 0 0
1 99 ARG QD 178 no 40.0 60.7 0.090 0.148 0.058 4 1 no 0.246 0 0
1 99 ARG QG 149 no 40.0 100.0 0.027 0.027 0.000 7 4 no 0.000 0 0
1 101 GLN QB 118 no 100.0 0.0 0.000 0.000 0.000 10 3 no 0.000 0 0
1 101 GLN QE 186 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 101 GLN QG 207 no 95.0 83.8 0.004 0.005 0.001 1 1 no 0.219 0 0
1 102 VAL QG 9 no 90.0 87.5 4.637 5.302 0.665 33 7 yes 1.521 6 11
1 103 VAL QG 26 no 100.0 100.0 8.869 8.869 0.000 22 5 no 0.001 0 0
1 104 SER QB 181 yes 75.0 76.8 1.217 1.585 0.368 4 2 yes 1.801 2 9
1 105 ASN QB 14 no 100.0 95.8 1.475 1.539 0.064 29 15 no 0.468 0 0
1 105 ASN QD 32 no 15.0 88.9 0.160 0.180 0.020 20 6 no 0.219 0 0
1 106 LEU QB 44 no 100.0 88.0 1.349 1.533 0.183 18 9 no 0.300 0 0
1 106 LEU QD 8 no 100.0 99.4 5.238 5.267 0.029 35 14 no 0.549 0 1
1 107 LYS QB 57 no 45.0 83.2 0.057 0.068 0.011 16 7 no 0.300 0 0
1 107 LYS QD 180 no 85.0 81.4 3.359 4.125 0.765 4 2 no 0.768 0 5
1 107 LYS QE 198 no 55.0 76.3 0.809 1.060 0.251 2 1 no 0.668 0 1
1 107 LYS QG 90 no 85.0 83.5 0.657 0.787 0.130 13 5 yes 1.595 1 1
1 108 GLY QA 51 no 100.0 89.3 2.538 2.842 0.304 16 4 no 0.881 0 8
1 109 ILE QG 116 no 100.0 100.0 1.283 1.283 0.000 10 2 no 0.020 0 0
1 110 SER QB 157 no 70.0 58.8 0.020 0.033 0.014 6 1 no 0.456 0 0
1 111 MET QB 76 no 75.0 65.1 1.443 2.219 0.775 15 8 yes 1.613 4 12
1 111 MET QG 91 no 95.0 12.4 0.004 0.033 0.029 13 6 no 0.479 0 0
1 112 SER QB 177 no 100.0 100.0 0.282 0.282 0.000 4 1 no 0.000 0 0
1 113 SER QB 94 no 100.0 0.0 0.000 0.000 0.000 12 1 no 0.049 0 0
1 114 SER QB 87 no 80.0 92.4 3.458 3.740 0.283 13 4 yes 1.102 2 7
1 115 LYS QB 73 no 95.0 86.1 0.170 0.198 0.027 15 7 no 0.714 0 1
1 115 LYS QD 197 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 115 LYS QG 70 no 100.0 100.0 0.005 0.005 0.000 15 6 no 0.299 0 0
1 116 LEU QB 35 no 20.0 57.5 0.086 0.149 0.063 19 9 no 0.000 0 0
1 116 LEU QD 6 no 100.0 98.1 0.523 0.534 0.010 37 10 no 0.050 0 0
1 117 LEU QB 48 no 95.0 86.3 0.021 0.024 0.003 17 8 no 0.186 0 0
1 117 LEU QD 12 no 100.0 98.7 9.735 9.868 0.132 31 18 no 0.656 0 6
1 118 LEU QB 99 no 100.0 100.0 0.126 0.126 0.000 12 5 no 0.000 0 0
1 118 LEU QD 72 no 100.0 100.0 9.531 9.533 0.002 15 7 no 0.170 0 0
1 121 LYS QB 22 no 40.0 13.3 0.073 0.548 0.475 24 16 no 0.924 0 3
1 121 LYS QD 79 no 80.0 68.1 0.008 0.011 0.004 15 11 no 0.249 0 0
1 121 LYS QE 61 no 50.0 41.1 0.089 0.215 0.127 16 13 no 0.512 0 2
1 121 LYS QG 142 no 65.0 64.9 0.135 0.208 0.073 8 5 yes 0.770 0 10
1 123 LEU QB 56 no 100.0 91.5 1.119 1.223 0.104 16 7 no 0.040 0 0
1 123 LEU QD 13 no 95.0 95.3 16.102 16.889 0.787 29 12 yes 1.904 3 5
1 126 ASP QB 138 no 70.0 77.2 0.112 0.145 0.033 8 3 no 0.466 0 0
1 127 PRO QB 129 no 100.0 100.0 2.751 2.751 0.000 9 4 no 0.038 0 0
1 127 PRO QD 55 no 100.0 100.0 0.873 0.873 0.000 16 7 no 0.014 0 0
1 127 PRO QG 174 no 100.0 100.0 2.820 2.820 0.001 4 0 no 0.045 0 0
1 129 SER QB 103 no 80.0 86.1 0.086 0.100 0.014 12 7 no 0.310 0 0
1 130 PRO QB 153 no 100.0 0.0 0.000 0.000 0.000 7 5 no 0.000 0 0
1 130 PRO QD 132 no 100.0 0.0 0.000 0.000 0.000 9 7 no 0.000 0 0
1 130 PRO QG 144 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 131 ASN QB 162 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 132 LEU QB 31 yes 80.0 96.4 3.225 3.347 0.122 21 14 no 0.834 0 3
1 132 LEU QD 15 no 100.0 95.9 15.955 16.631 0.676 28 16 yes 1.200 8 9
1 133 LYS QB 137 no 100.0 99.9 1.704 1.706 0.002 8 2 no 0.105 0 0
1 133 LYS QD 86 no 100.0 89.3 0.876 0.981 0.105 13 4 no 0.834 0 3
1 133 LYS QE 200 no 25.0 76.8 0.008 0.010 0.002 2 2 no 0.226 0 0
1 134 SER QB 192 no 100.0 100.0 0.006 0.006 0.000 2 0 no 0.256 0 0
1 135 GLN QB 125 no 45.0 99.5 0.024 0.024 0.000 10 8 no 0.048 0 0
1 135 GLN QE 104 no 35.0 98.6 0.197 0.200 0.003 12 8 no 0.119 0 0
1 135 GLN QG 69 no 100.0 100.0 0.684 0.684 0.000 15 6 no 0.000 0 0
1 136 LEU QB 89 no 100.0 99.7 0.346 0.347 0.001 13 5 no 0.186 0 0
1 136 LEU QD 7 no 90.0 87.4 12.749 14.583 1.834 35 14 yes 2.261 14 24
1 141 ARG QB 161 no 65.0 99.4 1.686 1.697 0.011 5 0 no 0.342 0 0
1 141 ARG QD 206 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 141 ARG QG 147 yes 95.0 94.2 0.109 0.116 0.007 7 2 no 0.140 0 0
1 143 VAL QG 3 no 100.0 99.7 23.707 23.790 0.083 42 10 no 0.658 0 3
1 145 ASP QB 88 no 15.0 100.0 0.005 0.005 0.000 13 5 no 0.000 0 0
1 146 SER QB 164 no 85.0 78.1 0.197 0.253 0.055 5 1 no 0.464 0 0
1 147 ILE QG 64 no 100.0 100.0 0.137 0.137 0.000 15 3 no 0.000 0 0
1 148 ASN QB 98 no 80.0 53.8 0.035 0.065 0.030 12 5 no 0.350 0 0
1 148 ASN QD 111 no 50.0 74.9 0.108 0.144 0.036 11 4 no 0.528 0 1
1 149 GLN QB 185 no 75.0 81.4 0.283 0.348 0.065 4 3 no 0.509 0 5
1 149 GLN QG 168 no 50.0 48.3 0.062 0.129 0.066 5 2 no 0.509 0 5
1 150 LEU QB 24 no 70.0 71.8 0.227 0.316 0.089 23 10 no 0.836 0 1
1 150 LEU QD 4 no 95.0 94.3 10.551 11.195 0.643 39 15 yes 1.665 5 9
1 151 ILE QG 106 no 100.0 100.0 0.533 0.533 0.000 11 2 no 0.016 0 0
1 153 MET QB 176 no 65.0 77.3 0.142 0.184 0.042 4 1 no 0.664 0 2
1 153 MET QG 115 yes 90.0 96.7 0.160 0.165 0.005 10 2 no 0.290 0 0
1 154 CYS QB 95 no 80.0 82.6 0.016 0.020 0.003 12 2 no 0.225 0 0
1 156 GLN QB 173 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 156 GLN QE 202 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 157 GLN QB 167 no 5.0 70.8 0.000 0.000 0.000 5 2 no 0.018 0 0
1 157 GLN QE 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
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