NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
648096 |
6ocv   |
27284 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6ocv
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 264
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_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 7.271
_Stereo_assign_list.Total_e_high_states 408.463
_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 QG 263 no 60.0 67.0 0.096 0.144 0.047 1 0 no 0.365 0 0
1 2 MET QB 240 no 100.0 0.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 2 MET QG 80 no 100.0 97.5 2.822 2.894 0.072 14 6 no 0.344 0 0
1 3 GLY QA 29 no 100.0 98.2 3.205 3.264 0.059 18 4 no 0.288 0 0
1 4 MET QB 65 no 95.0 79.6 0.146 0.183 0.037 15 6 no 0.290 0 0
1 4 MET QG 78 no 40.0 98.1 0.681 0.695 0.013 14 5 no 0.223 0 0
1 5 VAL QG 9 no 100.0 100.0 2.372 2.372 0.001 27 12 no 0.084 0 0
1 6 PHE QB 115 no 100.0 99.5 7.293 7.329 0.037 11 2 no 0.240 0 0
1 8 GLY QA 68 no 100.0 88.6 0.605 0.683 0.077 15 8 no 0.318 0 0
1 9 LEU QB 212 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 9 LEU QD 6 no 100.0 99.9 20.525 20.552 0.027 29 10 no 0.266 0 0
1 10 MET QB 64 no 100.0 99.4 0.194 0.195 0.001 15 6 no 0.121 0 0
1 10 MET QG 119 no 100.0 100.0 0.088 0.088 0.000 11 3 no 0.398 0 0
1 11 GLU QB 121 no 100.0 100.0 4.416 4.418 0.002 11 4 no 0.072 0 0
1 11 GLU QG 149 no 100.0 99.9 5.043 5.049 0.006 9 1 no 0.110 0 0
1 12 LEU QB 93 no 85.0 42.3 0.035 0.083 0.048 13 6 no 0.349 0 0
1 12 LEU QD 2 no 100.0 99.3 5.195 5.230 0.036 33 15 no 0.198 0 0
1 13 ILE QG 77 no 100.0 98.1 6.830 6.964 0.133 14 4 no 0.450 0 0
1 14 GLU QB 134 no 100.0 81.9 0.569 0.695 0.126 10 2 no 0.441 0 0
1 14 GLU QG 39 no 100.0 93.3 0.522 0.560 0.038 17 6 no 0.206 0 0
1 15 ASP QB 148 no 100.0 98.9 1.945 1.966 0.021 9 1 no 0.169 0 0
1 16 GLU QB 28 no 100.0 98.5 3.113 3.160 0.048 19 5 no 0.349 0 0
1 16 GLU QG 51 no 90.0 99.8 0.105 0.105 0.000 16 8 no 0.046 0 0
1 17 PHE QB 41 no 70.0 100.0 0.864 0.864 0.000 16 1 no 0.000 0 0
1 18 GLY QA 124 no 30.0 100.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 19 TYR QB 91 no 90.0 22.0 0.016 0.073 0.057 13 5 no 0.358 0 0
1 20 GLU QB 211 no 90.0 99.9 0.417 0.417 0.000 6 1 no 0.050 0 0
1 20 GLU QG 184 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 22 LEU QB 72 no 100.0 95.3 0.061 0.064 0.003 14 1 no 0.096 0 0
1 22 LEU QD 33 no 25.0 77.6 0.167 0.216 0.048 18 8 no 0.358 0 0
1 23 ASP QB 98 no 100.0 99.2 0.548 0.552 0.004 12 1 no 0.173 0 0
1 25 LEU QB 18 no 100.0 83.8 1.255 1.498 0.243 22 9 no 0.450 0 0
1 25 LEU QD 3 no 100.0 95.1 0.518 0.545 0.027 32 15 no 0.185 0 0
1 26 LEU QB 22 no 100.0 99.0 6.537 6.600 0.063 20 4 no 0.349 0 0
1 26 LEU QD 49 no 100.0 99.6 0.339 0.340 0.001 16 7 no 0.121 0 0
1 27 GLU QB 114 no 100.0 99.2 3.865 3.896 0.031 11 2 no 0.263 0 0
1 27 GLU QG 76 no 100.0 96.2 2.505 2.605 0.100 14 2 no 0.340 0 0
1 28 SER QB 90 no 95.0 74.2 0.191 0.257 0.066 13 5 no 0.351 0 0
1 29 CYS QB 193 no 100.0 93.8 1.225 1.307 0.081 7 1 no 0.285 0 0
1 30 GLU QB 256 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 GLU QG 255 no 60.0 100.0 0.454 0.454 0.000 2 0 no 0.015 0 0
1 31 LEU QB 87 no 100.0 95.3 0.884 0.927 0.043 13 4 no 0.275 0 0
1 31 LEU QD 108 no 55.0 72.1 0.018 0.025 0.007 12 6 no 0.104 0 0
1 32 GLN QB 224 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 32 GLN QG 210 no 10.0 79.3 0.073 0.092 0.019 6 1 no 0.312 0 0
1 33 SER QB 248 no 95.0 100.0 0.139 0.139 0.000 3 0 no 0.000 0 0
1 34 GLU QB 209 no 65.0 100.0 0.050 0.050 0.000 6 1 no 0.000 0 0
1 35 GLY QA 34 no 50.0 83.5 0.012 0.014 0.002 18 9 no 0.102 0 0
1 36 ILE QG 71 no 100.0 100.0 0.012 0.012 0.000 14 1 no 0.000 0 0
1 37 TYR QB 177 no 100.0 99.7 2.324 2.331 0.007 8 2 no 0.155 0 0
1 39 SER QB 170 no 100.0 98.1 2.892 2.947 0.056 8 1 no 0.329 0 0
1 40 VAL QG 53 no 95.0 98.9 2.370 2.397 0.027 15 0 no 0.301 0 0
1 41 GLY QA 183 no 30.0 100.0 0.001 0.001 0.000 7 0 no 0.000 0 0
1 42 SER QB 107 no 100.0 95.4 2.472 2.590 0.118 12 5 no 0.444 0 0
1 43 TYR QB 133 no 100.0 98.3 1.057 1.075 0.019 10 2 no 0.170 0 0
1 44 ASP QB 146 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 45 HIS QB 231 no 30.0 99.9 0.051 0.051 0.000 4 0 no 0.021 0 0
1 46 GLN QB 156 no 100.0 100.0 0.130 0.130 0.000 9 3 no 0.000 0 0
1 46 GLN QG 137 no 95.0 50.7 0.064 0.127 0.062 10 3 no 0.385 0 0
1 47 GLU QB 45 no 95.0 38.8 0.050 0.130 0.079 16 4 no 0.344 0 0
1 47 GLU QG 86 no 100.0 98.7 10.901 11.050 0.148 13 4 no 0.308 0 0
1 48 LEU QB 159 no 100.0 98.8 1.606 1.625 0.019 9 4 no 0.212 0 0
1 48 LEU QD 5 no 95.0 99.4 2.942 2.959 0.017 30 10 no 0.379 0 0
1 49 LEU QB 152 no 40.0 29.3 0.007 0.025 0.018 9 2 no 0.293 0 0
1 49 LEU QD 226 no 100.0 100.0 0.223 0.223 0.000 5 2 no 0.000 0 0
1 50 GLN QB 155 no 100.0 0.0 0.000 0.000 0.000 9 3 no 0.000 0 0
1 50 GLN QG 106 no 100.0 95.0 3.004 3.161 0.157 12 5 no 0.372 0 0
1 51 LEU QB 32 no 100.0 95.8 3.309 3.455 0.146 18 7 no 0.373 0 0
1 51 LEU QD 12 no 100.0 97.3 2.473 2.541 0.068 25 8 no 0.349 0 0
1 52 VAL QG 21 no 100.0 99.6 9.365 9.399 0.034 21 8 no 0.293 0 0
1 53 VAL QG 113 no 15.0 55.2 0.086 0.156 0.070 11 2 no 0.306 0 0
1 54 LYS QB 50 no 100.0 96.7 3.556 3.675 0.119 16 8 no 0.427 0 0
1 54 LYS QD 200 no 100.0 98.9 4.745 4.798 0.053 7 5 no 0.298 0 0
1 54 LYS QE 258 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 54 LYS QG 89 no 100.0 79.4 0.197 0.248 0.051 13 5 no 0.284 0 0
1 55 LEU QB 61 no 15.0 100.0 0.066 0.066 0.000 15 5 no 0.000 0 0
1 55 LEU QD 1 no 100.0 99.8 9.885 9.909 0.025 38 16 no 0.220 0 0
1 56 SER QB 44 no 25.0 78.9 0.277 0.351 0.074 16 4 no 0.468 0 0
1 57 GLU QB 112 no 90.0 78.0 0.046 0.059 0.013 11 2 no 0.187 0 0
1 57 GLU QG 195 no 100.0 99.3 1.786 1.798 0.012 7 2 no 0.158 0 0
1 58 VAL QG 16 no 100.0 99.9 2.468 2.472 0.003 22 5 no 0.119 0 0
1 59 SER QB 24 no 95.0 34.5 0.026 0.076 0.050 20 5 no 0.322 0 0
1 60 SER QB 254 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 VAL QG 7 no 100.0 100.0 27.627 27.627 0.000 29 12 no 0.009 0 0
1 62 PRO QB 83 no 100.0 100.0 0.003 0.003 0.000 13 3 no 0.213 0 0
1 62 PRO QD 66 no 100.0 99.7 1.387 1.391 0.005 15 7 no 0.130 0 0
1 62 PRO QG 208 no 95.0 87.1 0.197 0.226 0.029 6 1 no 0.254 0 0
1 63 VAL QG 43 no 100.0 100.0 6.134 6.134 0.000 16 4 no 0.000 0 0
1 65 GLU QB 158 no 95.0 99.9 2.173 2.174 0.001 9 4 no 0.121 0 0
1 65 GLU QG 214 no 25.0 100.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 66 LEU QB 60 no 100.0 99.8 4.369 4.375 0.007 15 5 no 0.189 0 0
1 66 LEU QD 17 no 5.0 96.1 0.606 0.631 0.025 22 9 no 0.183 0 0
1 67 VAL QG 4 no 100.0 96.8 1.479 1.528 0.049 30 8 no 0.247 0 0
1 68 ARG QB 204 no 100.0 98.9 2.226 2.250 0.024 6 0 no 0.286 0 0
1 68 ARG QG 176 no 100.0 99.7 3.037 3.048 0.010 8 2 no 0.193 0 0
1 69 LEU QB 182 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 69 LEU QD 203 no 100.0 100.0 1.754 1.754 0.000 6 0 no 0.000 0 0
1 70 PHE QB 132 no 100.0 100.0 0.010 0.010 0.000 10 2 no 0.140 0 0
1 71 GLY QA 57 no 85.0 86.3 0.013 0.015 0.002 15 4 no 0.187 0 0
1 72 LYS QB 238 no 100.0 100.0 1.355 1.355 0.000 4 1 no 0.000 0 0
1 72 LYS QG 223 no 100.0 93.9 0.591 0.630 0.039 5 1 no 0.271 0 0
1 73 LYS QB 221 no 100.0 90.4 0.466 0.516 0.050 5 0 no 0.271 0 0
1 73 LYS QD 179 no 100.0 92.4 1.059 1.146 0.087 8 3 no 0.283 0 0
1 73 LYS QG 207 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 74 LEU QB 104 no 100.0 98.0 7.725 7.886 0.161 12 4 no 0.392 0 0
1 74 LEU QD 10 no 100.0 100.0 8.127 8.127 0.000 26 11 no 0.026 0 0
1 75 PHE QB 192 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 76 VAL QG 27 no 100.0 99.3 1.453 1.463 0.010 19 5 no 0.121 0 0
1 77 GLU QB 95 no 100.0 0.0 0.000 0.000 0.000 13 7 no 0.000 0 0
1 77 GLU QG 140 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 78 LEU QB 75 no 100.0 98.5 3.792 3.850 0.058 14 2 no 0.295 0 0
1 78 LEU QD 59 no 100.0 99.6 1.895 1.904 0.008 15 5 no 0.179 0 0
1 79 ILE QG 40 no 100.0 47.3 0.098 0.208 0.110 16 1 no 0.332 0 0
1 80 GLU QB 157 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 80 GLU QG 14 no 100.0 94.5 1.217 1.288 0.070 23 8 no 0.467 0 0
1 81 GLY QA 220 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 82 HIS QB 52 no 100.0 99.8 2.295 2.299 0.004 15 0 no 0.119 0 0
1 83 PRO QB 151 no 85.0 69.7 0.059 0.085 0.026 9 2 no 0.305 0 0
1 83 PRO QD 150 no 100.0 0.0 0.000 0.000 0.000 9 2 no 0.000 0 0
1 84 GLU QB 194 no 65.0 96.5 0.609 0.631 0.022 7 2 no 0.200 0 0
1 84 GLU QG 230 no 95.0 28.0 0.008 0.027 0.019 4 0 no 0.305 0 0
1 85 ILE QG 147 no 100.0 98.5 2.586 2.624 0.038 9 1 no 0.363 0 0
1 87 ASN QB 74 no 50.0 29.6 0.022 0.076 0.053 14 2 no 0.403 0 0
1 88 GLU QB 145 no 100.0 100.0 0.464 0.464 0.000 9 0 no 0.026 0 0
1 88 GLU QG 252 no 65.0 86.6 0.318 0.367 0.049 3 2 no 0.403 0 0
1 89 MET QB 38 no 100.0 97.9 6.655 6.795 0.140 17 6 no 0.384 0 0
1 89 MET QG 92 no 100.0 95.1 0.898 0.944 0.046 13 6 no 0.260 0 0
1 90 LYS QB 81 no 100.0 99.6 1.995 2.004 0.008 14 7 no 0.125 0 0
1 90 LYS QD 199 no 100.0 97.7 2.247 2.300 0.053 7 5 no 0.260 0 0
1 90 LYS QE 247 no 100.0 99.2 3.012 3.037 0.025 3 0 no 0.229 0 0
1 90 LYS QG 96 no 15.0 100.0 0.017 0.017 0.000 13 8 no 0.000 0 0
1 91 ASP QB 73 no 15.0 100.0 0.000 0.000 0.000 14 2 no 0.000 0 0
1 92 SER QB 202 no 85.0 97.0 0.422 0.435 0.013 6 0 no 0.204 0 0
1 93 PHE QB 144 no 100.0 86.9 0.414 0.477 0.063 9 0 no 0.305 0 0
1 94 ASP QB 35 no 100.0 99.9 4.359 4.365 0.006 17 3 no 0.124 0 0
1 95 LEU QB 127 no 100.0 99.8 3.932 3.941 0.009 10 1 no 0.159 0 0
1 95 LEU QD 23 no 100.0 99.4 6.060 6.094 0.034 20 5 no 0.219 0 0
1 96 LEU QB 54 no 100.0 97.5 0.256 0.262 0.006 15 3 no 0.160 0 0
1 96 LEU QD 13 no 100.0 99.5 9.957 10.008 0.051 24 8 no 0.273 0 0
1 97 SER QB 181 no 5.0 100.0 0.001 0.001 0.000 7 0 no 0.000 0 0
1 98 LYS QB 191 no 55.0 100.0 0.002 0.002 0.000 7 1 no 0.000 0 0
1 98 LYS QD 94 no 100.0 95.8 2.463 2.571 0.108 13 7 no 0.384 0 0
1 98 LYS QE 217 no 95.0 97.9 3.758 3.837 0.079 6 3 no 0.382 0 0
1 98 LYS QG 197 no 50.0 88.7 0.167 0.188 0.021 7 3 no 0.254 0 0
1 99 ILE QG 190 no 10.0 100.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 100 ASP QB 206 no 45.0 96.0 0.417 0.435 0.018 6 1 no 0.204 0 0
1 101 SER QB 219 no 5.0 100.0 0.013 0.013 0.000 5 0 no 0.000 0 0
1 102 PHE QB 169 no 25.0 98.2 0.003 0.003 0.000 8 1 no 0.025 0 0
1 103 ILE QG 168 no 55.0 99.5 1.734 1.744 0.009 8 1 no 0.184 0 0
1 104 HIS QB 167 no 100.0 0.0 0.000 0.000 0.000 8 1 no 0.000 0 0
1 105 VAL QG 118 no 95.0 94.8 0.096 0.101 0.005 11 3 no 0.461 0 0
1 106 GLU QB 189 no 100.0 94.3 0.248 0.263 0.015 7 1 no 0.206 0 0
1 106 GLU QG 237 no 70.0 69.9 0.010 0.014 0.004 4 1 no 0.215 0 0
1 107 VAL QG 20 no 100.0 98.6 5.580 5.659 0.079 21 3 no 0.322 0 0
1 108 TYR QB 175 no 100.0 100.0 0.411 0.411 0.000 8 2 no 0.000 0 0
1 109 LYS QB 48 no 100.0 99.3 1.917 1.931 0.014 16 7 no 0.206 0 0
1 109 LYS QD 178 no 100.0 97.2 0.322 0.331 0.009 8 3 no 0.321 0 0
1 109 LYS QE 198 no 100.0 98.9 1.333 1.348 0.015 7 4 no 0.145 0 0
1 109 LYS QG 117 no 95.0 100.0 0.721 0.721 0.000 11 3 no 0.000 0 0
1 110 LEU QB 37 no 100.0 99.0 3.687 3.723 0.037 17 4 no 0.297 0 0
1 110 LEU QD 79 no 95.0 100.0 0.047 0.047 0.000 14 6 no 0.000 0 0
1 111 TYR QB 143 no 100.0 92.5 2.089 2.260 0.171 9 0 no 0.441 0 0
1 112 PRO QB 236 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 112 PRO QD 136 no 100.0 100.0 0.270 0.270 0.000 10 3 no 0.000 0 0
1 112 PRO QG 213 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 113 GLN QB 225 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 113 GLN QG 196 no 100.0 98.4 2.342 2.380 0.038 7 3 no 0.278 0 0
1 115 GLU QB 235 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 115 GLU QG 205 no 5.0 17.5 0.001 0.006 0.005 6 1 no 0.088 0 0
1 116 LEU QB 250 no 90.0 73.4 0.041 0.057 0.015 3 1 no 0.322 0 0
1 116 LEU QD 180 no 20.0 100.0 0.020 0.020 0.000 8 5 no 0.000 0 0
1 117 PRO QD 251 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 118 LYS QB 139 no 20.0 100.0 0.016 0.016 0.000 10 4 no 0.000 0 0
1 118 LYS QE 264 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 118 LYS QG 154 no 40.0 44.7 0.019 0.043 0.024 9 3 no 0.382 0 0
1 119 PHE QB 166 no 10.0 100.0 0.027 0.027 0.000 8 1 no 0.000 0 0
1 121 CYS QB 165 no 100.0 98.9 2.538 2.566 0.028 8 1 no 0.230 0 0
1 122 ASP QB 47 no 100.0 97.7 1.503 1.537 0.035 16 7 no 0.213 0 0
1 123 ARG QB 138 no 100.0 98.1 0.216 0.220 0.004 10 4 no 0.105 0 0
1 123 ARG QD 109 no 100.0 95.6 0.583 0.610 0.027 12 8 no 0.321 0 0
1 123 ARG QG 103 no 100.0 99.8 2.333 2.338 0.005 12 4 no 0.308 0 0
1 124 LEU QB 31 no 100.0 96.2 1.210 1.258 0.047 18 7 no 0.266 0 0
1 124 LEU QD 19 no 100.0 98.3 0.933 0.948 0.016 22 11 no 0.261 0 0
1 125 GLY QA 188 no 100.0 100.0 0.089 0.089 0.000 7 1 no 0.000 0 0
1 126 ASP QB 218 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 127 ASN QB 131 no 30.0 97.4 0.010 0.010 0.000 10 2 no 0.055 0 0
1 128 ASP QB 30 no 100.0 100.0 0.226 0.226 0.000 18 7 no 0.000 0 0
1 129 ILE QG 63 no 100.0 99.0 3.538 3.575 0.037 15 6 no 0.321 0 0
1 130 ARG QB 46 no 100.0 98.0 0.761 0.777 0.016 16 7 no 0.261 0 0
1 130 ARG QD 69 no 100.0 98.0 6.486 6.621 0.135 15 9 no 0.286 0 0
1 130 ARG QG 102 no 100.0 99.9 3.418 3.422 0.004 12 4 no 0.196 0 0
1 131 LEU QB 8 no 100.0 97.6 0.854 0.875 0.021 28 6 no 0.219 0 0
1 131 LEU QD 116 no 100.0 99.1 0.320 0.323 0.003 11 3 no 0.093 0 0
1 132 HIS QB 123 no 100.0 99.9 2.387 2.390 0.004 10 0 no 0.239 0 0
1 133 TYR QB 163 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 134 GLN QB 85 no 95.0 78.5 0.099 0.126 0.027 13 4 no 0.271 0 0
1 134 GLN QG 130 no 60.0 3.4 0.001 0.017 0.017 10 2 no 0.240 0 0
1 135 SER QB 229 no 95.0 100.0 0.109 0.109 0.000 4 0 no 0.000 0 0
1 136 LYS QB 101 no 100.0 100.0 0.000 0.000 0.000 12 3 no 0.053 0 0
1 136 LYS QG 249 no 100.0 97.5 1.908 1.956 0.048 3 1 no 0.272 0 0
1 137 ARG QB 253 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 137 ARG QG 239 no 100.0 100.0 1.023 1.023 0.000 4 2 no 0.053 0 0
1 138 PRO QB 246 no 100.0 100.0 1.061 1.061 0.000 3 0 no 0.000 0 0
1 138 PRO QD 262 no 100.0 100.0 0.005 0.005 0.000 1 0 no 0.199 0 0
1 138 PRO QG 187 no 100.0 98.6 0.275 0.279 0.004 7 1 no 0.121 0 0
1 139 PHE QB 100 no 100.0 100.0 0.125 0.125 0.000 12 3 no 0.000 0 0
1 141 SER QB 174 no 100.0 98.0 0.453 0.462 0.009 8 2 no 0.123 0 0
1 142 PHE QB 153 no 100.0 100.0 0.017 0.017 0.000 9 3 no 0.207 0 0
1 144 GLU QB 126 no 100.0 100.0 0.001 0.001 0.000 10 1 no 0.040 0 0
1 144 GLU QG 42 no 100.0 41.5 0.011 0.026 0.015 16 3 no 0.196 0 0
1 145 GLY QA 135 no 100.0 100.0 0.000 0.000 0.000 10 3 no 0.059 0 0
1 146 LEU QB 222 no 100.0 100.0 0.000 0.000 0.000 5 1 no 0.003 0 0
1 146 LEU QD 160 no 100.0 100.0 0.034 0.034 0.000 9 5 no 0.000 0 0
1 147 LEU QB 173 no 100.0 89.5 0.976 1.091 0.115 8 2 no 0.427 0 0
1 147 LEU QD 26 no 100.0 99.2 2.036 2.051 0.016 19 5 no 0.219 0 0
1 148 ASP QB 36 no 100.0 97.5 7.973 8.174 0.201 17 4 no 0.444 0 0
1 149 GLY QA 125 no 100.0 100.0 1.126 1.126 0.000 10 1 no 0.000 0 0
1 150 CYS QB 129 no 5.0 61.6 0.054 0.089 0.034 10 2 no 0.219 0 0
1 152 GLU QB 186 no 100.0 100.0 1.892 1.892 0.000 7 1 no 0.000 0 0
1 153 TYR QB 97 no 100.0 92.7 1.363 1.471 0.108 12 1 no 0.332 0 0
1 154 PHE QB 162 no 100.0 96.1 2.881 2.997 0.116 8 0 no 0.358 0 0
1 155 LYS QB 164 no 100.0 0.0 0.000 0.000 0.000 8 1 no 0.000 0 0
1 155 LYS QD 234 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 155 LYS QE 257 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 155 LYS QG 233 no 100.0 100.0 0.000 0.000 0.000 4 1 no 0.090 0 0
1 156 GLU QB 82 no 35.0 100.0 0.095 0.095 0.000 13 2 no 0.000 0 0
1 156 GLU QG 172 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 157 ASP QB 142 no 90.0 98.0 0.201 0.205 0.004 9 0 no 0.145 0 0
1 158 PHE QB 70 no 15.0 100.0 0.000 0.000 0.000 14 0 no 0.000 0 0
1 160 ILE QG 56 no 100.0 96.2 7.539 7.835 0.296 15 4 no 0.444 0 0
1 161 SER QB 128 no 100.0 100.0 4.934 4.936 0.002 10 2 no 0.081 0 0
1 162 ARG QB 111 no 100.0 99.2 5.294 5.339 0.045 11 2 no 0.335 0 0
1 162 ARG QD 122 no 100.0 99.2 1.250 1.260 0.010 11 7 no 0.309 0 0
1 162 ARG QG 245 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 164 PRO QB 141 no 100.0 99.8 2.517 2.521 0.004 10 5 no 0.143 0 0
1 164 PRO QD 84 no 95.0 99.8 0.000 0.000 0.000 13 4 no 0.037 0 0
1 164 PRO QG 105 no 20.0 88.6 0.129 0.146 0.017 12 5 no 0.377 0 0
1 165 GLU QB 185 no 100.0 99.1 0.687 0.694 0.007 7 1 no 0.167 0 0
1 165 GLU QG 244 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 167 GLN QB 62 no 100.0 55.9 0.013 0.023 0.010 15 6 no 0.309 0 0
1 167 GLN QG 55 no 100.0 94.5 1.225 1.295 0.071 15 4 no 0.377 0 0
1 168 ASP QB 201 no 60.0 81.9 0.005 0.006 0.001 6 0 no 0.129 0 0
1 169 SER QB 228 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 170 GLU QB 243 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 170 GLU QG 242 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 172 ASP QB 161 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 173 VAL QG 25 no 100.0 99.9 7.405 7.414 0.009 19 3 no 0.135 0 0
1 174 ILE QG 110 no 95.0 99.6 1.644 1.651 0.007 11 1 no 0.286 0 0
1 175 PHE QB 15 no 70.0 99.4 0.034 0.034 0.000 22 5 no 0.067 0 0
1 176 ASN QB 99 no 100.0 99.1 3.451 3.482 0.031 12 3 no 0.227 0 0
1 177 ILE QG 11 no 100.0 97.5 2.998 3.076 0.078 25 7 no 0.413 0 0
1 179 ARG QB 171 no 65.0 87.1 0.734 0.843 0.108 8 2 no 0.468 0 0
1 179 ARG QD 232 no 85.0 98.8 1.315 1.332 0.017 4 1 no 0.296 0 0
1 179 ARG QG 227 no 60.0 96.0 0.800 0.834 0.034 5 3 no 0.353 0 0
1 181 PRO QB 67 no 10.0 87.8 0.058 0.066 0.008 15 8 no 0.324 0 0
1 181 PRO QD 88 no 45.0 36.9 0.004 0.012 0.008 13 5 no 0.178 0 0
1 181 PRO QG 120 no 60.0 59.5 0.073 0.123 0.050 11 4 no 0.436 0 0
1 182 ARG QB 216 no 100.0 0.0 0.000 0.000 0.000 6 3 no 0.000 0 0
1 182 ARG QD 215 no 25.0 78.4 0.084 0.107 0.023 6 3 no 0.360 0 0
1 182 ARG QG 58 no 85.0 66.0 0.377 0.572 0.194 15 5 no 0.468 0 0
1 183 GLY QA 241 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.023 0 0
1 185 GLU QB 261 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 186 ASN QB 260 no 100.0 100.0 0.005 0.005 0.000 1 0 no 0.258 0 0
1 187 LEU QB 259 no 35.0 98.1 0.027 0.027 0.001 1 0 no 0.082 0 0
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