NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
551593 |
2lla   |
17287 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lla
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 204
_Stereo_assign_list.Swap_count 51
_Stereo_assign_list.Swap_percentage 25.0
_Stereo_assign_list.Deassign_count 37
_Stereo_assign_list.Deassign_percentage 18.1
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 48.762
_Stereo_assign_list.Total_e_high_states 371.230
_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 VAL QG 166 no 95.0 41.1 0.001 0.004 0.002 10 0 no 0.152 0 0
1 3 GLN QB 79 yes 80.0 80.5 0.631 0.783 0.153 20 8 no 0.074 0 0
1 3 GLN QE 191 yes 100.0 96.3 0.152 0.158 0.006 8 8 no 0.229 0 0
1 3 GLN QG 78 no 35.0 18.8 0.011 0.059 0.048 20 8 no 0.469 0 0
1 4 ASP QB 165 no 10.0 11.9 0.002 0.013 0.011 10 0 no 0.273 0 0
1 5 ASN QB 104 yes 75.0 53.2 1.397 2.625 1.228 18 8 no 0.788 0 12
1 5 ASN QD 190 yes 100.0 76.0 0.904 1.188 0.285 8 8 no 0.788 0 10
1 6 CYS QB 130 no 70.0 56.8 0.356 0.625 0.270 14 4 yes 1.032 2 20
1 7 GLN QB 38 no 100.0 99.4 0.888 0.893 0.005 26 10 no 0.165 0 0
1 7 GLN QE 118 no 65.0 5.0 0.005 0.100 0.095 16 16 no 0.344 0 0
1 7 GLN QG 40 no 80.0 63.1 1.632 2.587 0.954 26 14 yes 1.705 4 4
1 8 VAL QG 9 no 100.0 95.2 14.950 15.701 0.751 54 20 yes 1.066 6 20
1 10 ASN QB 43 no 90.0 97.7 0.077 0.079 0.002 24 8 no 0.121 0 0
1 10 ASN QD 26 no 30.0 27.2 0.056 0.208 0.151 30 8 yes 1.030 2 4
1 11 PRO QB 152 no 95.0 99.8 0.034 0.034 0.000 12 4 no 0.249 0 0
1 11 PRO QD 133 no 95.0 99.8 0.033 0.033 0.000 14 6 no 0.399 0 0
1 11 PRO QG 146 yes 100.0 100.0 1.494 1.494 0.000 12 2 no 0.027 0 0
1 14 GLY QA 124 yes 100.0 99.9 0.381 0.381 0.000 14 0 no 0.046 0 0
1 15 TYR QB 92 yes 80.0 61.0 0.270 0.442 0.173 18 2 no 0.302 0 0
1 16 VAL QG 10 no 90.0 93.4 17.400 18.640 1.239 52 14 yes 1.057 6 22
1 17 PHE QB 23 no 85.0 95.8 0.106 0.111 0.005 32 12 no 0.306 0 0
1 18 ASP QB 74 yes 85.0 87.9 0.178 0.202 0.024 20 4 no 0.170 0 0
1 19 LEU QB 37 no 50.0 99.9 0.281 0.281 0.000 26 10 no 0.040 0 0
1 19 LEU QD 1 no 95.0 94.4 46.722 49.472 2.750 84 40 yes 2.077 20 46
1 20 ASN QB 60 yes 75.0 73.0 0.834 1.142 0.308 22 10 no 0.328 0 0
1 20 ASN QD 65 yes 95.0 31.6 0.577 1.829 1.252 22 18 yes 1.453 14 40
1 21 SER QB 143 yes 80.0 58.2 0.259 0.444 0.186 12 0 no 0.798 0 6
1 22 LEU QB 31 no 80.0 69.6 0.823 1.182 0.359 30 16 no 0.593 0 2
1 22 LEU QD 16 no 75.0 76.2 3.555 4.662 1.108 40 10 yes 1.472 6 20
1 23 LYS QB 187 no 40.0 73.9 0.348 0.471 0.123 8 2 no 0.993 0 2
1 23 LYS QD 169 no 80.0 72.6 0.345 0.475 0.130 10 2 no 0.699 0 4
1 23 LYS QG 185 no 50.0 45.6 0.174 0.382 0.207 8 0 no 0.883 0 14
1 24 ARG QB 98 no 70.0 12.1 0.039 0.321 0.282 18 6 yes 1.097 2 4
1 24 ARG QD 156 no 100.0 100.0 0.045 0.045 0.000 12 10 no 0.422 0 0
1 24 ARG QG 116 no 60.0 46.2 0.760 1.644 0.884 16 4 yes 1.071 4 24
1 25 GLU QB 184 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.076 0 0
1 25 GLU QG 183 yes 95.0 99.4 0.195 0.196 0.001 8 0 no 0.081 0 0
1 26 SER QB 142 no 85.0 99.3 0.006 0.006 0.000 12 0 no 0.203 0 0
1 27 GLY QA 182 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 28 TYR QB 91 yes 100.0 99.9 0.174 0.174 0.000 18 2 no 0.025 0 0
1 30 ILE QG 24 no 100.0 100.0 3.423 3.423 0.000 30 0 no 0.038 0 0
1 31 SER QB 181 no 15.0 98.3 0.002 0.002 0.000 8 0 no 0.020 0 0
1 32 ASP QB 70 no 65.0 25.0 0.081 0.322 0.242 20 0 no 0.961 0 8
1 33 ILE QG 32 no 65.0 19.2 0.016 0.081 0.065 28 0 no 0.387 0 0
1 34 ARG QB 132 no 15.0 62.9 0.012 0.019 0.007 14 6 no 0.158 0 0
1 34 ARG QD 107 no 5.0 84.5 0.026 0.031 0.005 18 10 no 0.158 0 0
1 34 ARG QG 59 no 35.0 52.7 0.047 0.089 0.042 22 8 no 0.853 0 2
1 35 LYS QB 196 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 35 LYS QD 172 yes 75.0 85.5 0.143 0.168 0.024 10 4 no 0.414 0 0
1 35 LYS QE 197 no 100.0 100.0 0.018 0.018 0.000 6 6 no 0.000 0 0
1 35 LYS QG 151 no 55.0 27.5 0.125 0.455 0.330 12 4 yes 1.057 2 6
1 36 GLY QA 164 no 40.0 88.9 0.051 0.057 0.006 10 0 no 0.220 0 0
1 37 SER QB 73 no 60.0 22.5 0.111 0.494 0.383 20 4 yes 1.162 4 6
1 38 ILE QG 90 yes 100.0 100.0 0.394 0.394 0.000 18 2 no 0.028 0 0
1 39 ARG QB 89 yes 100.0 100.0 0.389 0.389 0.000 18 2 no 0.000 0 0
1 39 ARG QD 81 no 50.0 29.4 0.256 0.873 0.617 20 10 yes 1.315 8 36
1 39 ARG QG 97 no 65.0 95.3 0.120 0.126 0.006 18 6 no 0.803 0 12
1 40 LEU QB 28 yes 95.0 99.7 1.117 1.120 0.004 30 12 no 0.080 0 0
1 40 LEU QD 7 no 100.0 93.8 6.596 7.033 0.437 58 18 no 0.082 0 0
1 41 GLY QA 103 no 30.0 80.8 0.189 0.234 0.045 18 8 no 0.107 0 0
1 42 VAL QG 8 no 90.0 89.6 6.963 7.773 0.809 54 20 no 0.993 0 12
1 43 CYS QB 180 no 90.0 28.2 0.000 0.000 0.000 8 0 no 0.028 0 0
1 44 GLY QA 179 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 45 GLU QB 55 no 35.0 3.1 0.009 0.300 0.291 22 2 no 0.720 0 8
1 45 GLU QG 36 no 55.0 18.2 0.941 5.172 4.231 26 6 yes 1.270 18 22
1 46 VAL QG 6 no 90.0 84.6 9.512 11.245 1.733 62 22 yes 1.269 6 46
1 47 LYS QB 127 no 70.0 66.0 0.190 0.287 0.097 14 2 no 0.419 0 0
1 47 LYS QD 163 no 65.0 71.0 0.209 0.294 0.085 10 0 yes 1.067 4 6
1 47 LYS QE 204 no 70.0 22.0 0.062 0.282 0.220 2 2 no 0.319 0 0
1 47 LYS QG 145 no 70.0 86.9 0.143 0.164 0.022 12 2 no 0.203 0 0
1 48 ASP QB 115 no 60.0 11.3 0.038 0.337 0.299 16 4 no 0.992 0 10
1 49 CYS QB 88 no 35.0 29.8 0.400 1.340 0.940 18 2 yes 1.190 4 24
1 50 GLY QA 171 no 25.0 100.0 0.016 0.016 0.000 10 4 no 0.000 0 0
1 51 PRO QB 153 no 80.0 100.0 0.383 0.383 0.000 12 6 no 0.026 0 0
1 51 PRO QD 83 no 20.0 96.6 0.176 0.182 0.006 20 16 no 0.250 0 0
1 51 PRO QG 117 yes 80.0 79.7 0.566 0.711 0.144 16 6 no 0.628 0 8
1 52 GLY QA 150 yes 100.0 98.4 2.707 2.752 0.045 12 4 no 0.725 0 4
1 53 ILE QG 178 no 100.0 100.0 0.215 0.215 0.000 8 0 no 0.021 0 0
1 54 GLY QA 109 no 70.0 72.7 0.373 0.513 0.140 16 0 yes 1.244 4 12
1 56 CYS QB 71 no 40.0 80.0 0.143 0.178 0.036 20 2 no 0.381 0 0
1 57 PHE QB 69 no 55.0 75.4 0.140 0.186 0.046 20 0 no 0.534 0 2
1 58 GLU QB 149 no 45.0 22.0 0.089 0.402 0.314 12 4 no 0.659 0 6
1 58 GLU QG 195 yes 90.0 75.7 0.121 0.160 0.039 6 0 no 0.530 0 2
1 59 GLY QA 141 no 75.0 97.3 0.072 0.074 0.002 12 0 no 0.083 0 0
1 61 GLY QA 177 yes 100.0 100.0 0.104 0.104 0.000 8 0 no 0.000 0 0
1 62 ILE QG 51 no 45.0 80.1 0.641 0.800 0.159 22 0 no 0.965 0 2
1 63 LYS QB 123 yes 75.0 21.5 0.170 0.790 0.620 14 0 yes 1.286 6 10
1 63 LYS QD 129 no 35.0 9.2 0.020 0.218 0.198 14 4 no 0.734 0 8
1 63 LYS QE 188 no 90.0 71.7 0.012 0.017 0.005 8 4 no 0.410 0 0
1 63 LYS QG 162 no 35.0 37.3 0.066 0.177 0.111 10 0 no 0.746 0 6
1 65 GLY QA 144 no 85.0 88.5 0.355 0.402 0.046 12 2 no 0.627 0 2
1 66 LYS QB 176 no 10.0 100.0 0.003 0.003 0.000 8 0 no 0.000 0 0
1 66 LYS QD 170 yes 75.0 73.2 0.360 0.492 0.132 10 4 no 0.733 0 4
1 66 LYS QG 194 no 65.0 34.6 0.051 0.147 0.096 6 0 no 0.508 0 2
1 67 TRP QB 161 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 68 ASN QB 122 no 100.0 100.0 1.714 1.714 0.001 14 0 no 0.067 0 0
1 68 ASN QD 148 no 50.0 52.2 0.236 0.452 0.216 12 4 no 0.733 0 10
1 69 GLN QB 87 no 60.0 69.5 0.405 0.583 0.178 18 2 no 0.973 0 4
1 69 GLN QE 173 no 55.0 59.3 0.026 0.044 0.018 10 10 no 0.267 0 0
1 69 GLN QG 47 no 40.0 14.2 0.039 0.277 0.238 24 12 no 0.659 0 8
1 70 LYS QB 126 no 95.0 99.6 0.091 0.092 0.000 14 2 no 0.896 0 2
1 70 LYS QD 201 no 90.0 89.9 0.020 0.022 0.002 4 0 no 0.225 0 0
1 70 LYS QG 168 no 50.0 99.7 0.498 0.500 0.002 10 2 no 0.082 0 0
1 71 LEU QB 22 yes 95.0 99.8 0.292 0.293 0.001 32 8 no 0.060 0 0
1 71 LEU QD 4 no 80.0 77.3 6.362 8.234 1.872 64 28 yes 1.571 32 90
1 72 SER QB 111 no 65.0 32.8 0.108 0.330 0.222 16 2 no 0.828 0 10
1 73 TYR QB 46 yes 100.0 83.5 0.934 1.119 0.185 24 12 yes 1.091 2 26
1 74 VAL QG 19 no 80.0 88.4 5.965 6.748 0.784 38 14 yes 1.033 2 16
1 75 ASP QB 44 yes 95.0 85.8 1.476 1.720 0.244 24 10 yes 1.009 2 6
1 76 GLN QB 63 yes 95.0 89.3 0.320 0.358 0.038 22 12 no 0.618 0 2
1 76 GLN QE 82 no 80.0 97.2 3.381 3.480 0.099 20 12 no 0.638 0 4
1 76 GLN QG 29 no 60.0 48.6 0.136 0.279 0.143 30 14 no 0.830 0 4
1 77 VAL QG 33 no 80.0 94.0 10.833 11.519 0.686 28 8 yes 1.127 2 16
1 78 LEU QB 27 no 70.0 99.9 0.277 0.278 0.000 30 12 no 0.305 0 0
1 78 LEU QD 2 no 95.0 92.9 19.739 21.257 1.519 82 36 yes 1.851 10 26
1 79 GLN QB 45 yes 90.0 91.3 0.629 0.689 0.060 24 12 no 0.176 0 0
1 79 GLN QE 48 yes 100.0 75.4 1.050 1.393 0.343 24 24 yes 1.043 2 12
1 79 GLN QG 30 no 45.0 40.7 0.512 1.259 0.747 30 16 yes 1.708 6 6
1 80 LEU QB 39 no 50.0 7.6 0.044 0.583 0.539 26 12 no 0.000 0 0
1 80 LEU QD 3 no 95.0 91.5 15.351 16.770 1.419 66 24 yes 2.081 8 24
1 81 VAL QG 160 no 65.0 66.5 0.192 0.289 0.097 10 0 no 0.416 0 0
1 82 TYR QB 68 yes 100.0 100.0 0.265 0.266 0.000 20 0 no 0.029 0 0
1 83 GLU QB 110 no 15.0 99.0 0.009 0.009 0.000 16 2 no 0.030 0 0
1 83 GLU QG 140 yes 90.0 79.4 0.112 0.141 0.029 12 0 no 0.403 0 0
1 84 ASP QB 58 no 85.0 86.1 2.412 2.800 0.388 22 6 no 0.733 0 4
1 85 GLY QA 114 no 95.0 98.4 2.783 2.830 0.046 16 4 no 0.627 0 2
1 86 ASP QB 200 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 PRO QB 106 no 0.0 0.0 0.000 0.000 0.000 18 10 no 0.007 0 0
1 87 PRO QD 134 yes 100.0 98.9 1.321 1.336 0.015 14 10 no 0.130 0 0
1 87 PRO QG 41 no 90.0 92.5 0.032 0.035 0.003 26 18 no 0.130 0 0
1 88 CYS QB 113 no 65.0 71.4 0.043 0.060 0.017 16 4 no 0.479 0 0
1 89 PRO QB 139 yes 100.0 99.9 0.328 0.329 0.000 12 0 no 0.032 0 0
1 89 PRO QD 193 yes 100.0 100.0 1.937 1.937 0.000 6 0 no 0.037 0 0
1 89 PRO QG 138 yes 100.0 99.9 1.650 1.651 0.002 12 0 no 0.043 0 0
1 91 ASN QB 21 no 35.0 17.9 0.023 0.130 0.107 34 16 no 0.538 0 4
1 91 ASN QD 64 no 100.0 97.4 1.428 1.466 0.038 22 16 no 0.420 0 0
1 92 LEU QB 102 yes 75.0 72.9 0.196 0.269 0.073 18 8 no 0.565 0 2
1 92 LEU QD 11 no 90.0 94.1 12.550 13.343 0.793 48 14 yes 1.325 8 12
1 93 HIS QB 137 no 100.0 66.2 0.002 0.002 0.001 12 0 no 0.123 0 0
1 94 LEU QB 25 no 75.0 100.0 0.079 0.079 0.000 30 4 no 0.000 0 0
1 94 LEU QD 12 no 80.0 79.9 0.694 0.868 0.174 48 18 no 0.538 0 4
1 95 LYS QB 128 no 85.0 77.0 0.050 0.065 0.015 14 4 no 0.498 0 0
1 95 LYS QD 42 no 55.0 32.6 0.298 0.913 0.615 24 8 yes 1.313 10 16
1 95 LYS QE 155 no 35.0 6.1 0.007 0.114 0.107 12 10 no 0.597 0 2
1 95 LYS QG 105 no 60.0 67.2 0.125 0.185 0.061 18 10 no 0.779 0 2
1 96 TYR QB 54 yes 100.0 100.0 4.822 4.823 0.001 22 2 no 0.049 0 0
1 97 LYS QB 101 no 45.0 57.7 0.873 1.514 0.641 18 8 yes 1.012 4 16
1 97 LYS QD 131 no 70.0 73.6 1.422 1.932 0.509 14 6 yes 1.595 10 40
1 97 LYS QE 189 no 50.0 21.4 0.166 0.775 0.609 8 6 yes 1.589 14 18
1 97 LYS QG 147 yes 85.0 93.6 0.374 0.399 0.026 12 4 no 0.418 0 0
1 98 SER QB 159 no 70.0 14.1 0.017 0.122 0.105 10 0 no 0.521 0 8
1 99 VAL QG 13 no 100.0 97.4 11.148 11.446 0.298 46 6 no 0.040 0 0
1 100 ILE QG 57 no 70.0 100.0 0.008 0.008 0.000 22 4 no 0.000 0 0
1 101 SER QB 77 no 50.0 78.0 0.183 0.235 0.051 20 8 no 0.538 0 2
1 102 PHE QB 86 yes 100.0 100.0 0.673 0.673 0.000 18 0 no 0.026 0 0
1 103 VAL QG 14 no 95.0 96.8 7.830 8.091 0.261 44 10 no 0.977 0 8
1 104 CYS QB 50 yes 90.0 69.4 0.950 1.369 0.419 22 0 yes 1.119 4 10
1 105 LYS QB 56 no 85.0 61.7 0.242 0.392 0.150 22 4 no 0.839 0 4
1 105 LYS QD 199 no 95.0 100.0 0.798 0.798 0.000 4 0 no 0.019 0 0
1 105 LYS QE 202 no 25.0 99.9 0.019 0.019 0.000 4 2 no 0.012 0 0
1 105 LYS QG 85 yes 100.0 100.0 2.041 2.042 0.001 18 0 no 0.075 0 0
1 106 SER QB 136 no 80.0 88.2 0.025 0.028 0.003 12 0 no 0.531 0 2
1 107 ASP QB 121 no 15.0 100.0 0.003 0.003 0.000 14 0 no 0.003 0 0
1 109 GLY QA 80 no 100.0 99.5 0.050 0.050 0.000 20 10 no 0.350 0 0
1 110 PRO QB 186 no 100.0 98.9 0.195 0.197 0.002 8 2 no 0.078 0 0
1 110 PRO QD 62 yes 90.0 94.9 0.406 0.428 0.022 22 12 no 0.350 0 0
1 110 PRO QG 100 no 100.0 99.9 0.754 0.755 0.000 18 8 no 0.035 0 0
1 112 SER QB 84 yes 95.0 99.5 0.141 0.142 0.001 18 0 no 0.077 0 0
1 113 GLN QB 167 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 113 GLN QE 154 no 25.0 81.8 0.180 0.220 0.040 12 10 no 0.564 0 2
1 113 GLN QG 61 no 75.0 7.3 0.001 0.013 0.012 22 12 no 0.239 0 0
1 114 PRO QG 135 no 80.0 28.7 0.015 0.054 0.038 12 0 no 0.718 0 2
1 115 LEU QB 35 no 100.0 100.0 0.311 0.311 0.000 26 4 no 0.000 0 0
1 115 LEU QD 112 yes 75.0 68.3 0.137 0.201 0.064 16 4 no 0.446 0 0
1 116 LEU QB 99 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.000 0 0
1 116 LEU QD 15 no 90.0 88.1 19.497 22.137 2.640 44 14 yes 1.606 24 32
1 117 LEU QB 125 no 30.0 38.3 0.276 0.722 0.445 14 2 no 0.481 0 0
1 117 LEU QD 175 no 35.0 99.9 0.048 0.048 0.000 8 0 no 0.019 0 0
1 118 SER QB 120 yes 90.0 74.7 0.192 0.257 0.065 14 0 no 0.652 0 2
1 119 VAL QG 18 no 95.0 94.3 25.369 26.907 1.537 38 4 yes 1.031 2 10
1 120 ASP QB 67 yes 95.0 97.4 0.191 0.196 0.005 20 0 no 0.224 0 0
1 121 GLU QB 94 yes 100.0 100.0 3.195 3.195 0.000 18 4 no 0.048 0 0
1 121 GLU QG 96 no 45.0 42.3 0.034 0.081 0.047 18 6 no 0.481 0 0
1 122 HIS QB 66 no 30.0 80.1 0.144 0.180 0.036 20 0 no 0.248 0 0
1 124 CYS QB 53 yes 95.0 94.1 0.380 0.404 0.024 22 2 no 0.479 0 0
1 126 LEU QB 76 yes 100.0 100.0 0.403 0.403 0.000 20 6 no 0.000 0 0
1 126 LEU QD 5 no 95.0 95.4 0.244 0.256 0.012 62 10 no 0.329 0 0
1 127 PHE QB 72 yes 100.0 99.8 1.253 1.256 0.003 20 4 no 0.059 0 0
1 128 PHE QB 49 no 100.0 99.9 0.852 0.853 0.001 22 0 no 0.034 0 0
1 129 SER QB 75 no 95.0 0.1 0.000 0.052 0.052 20 6 no 0.722 0 2
1 130 TRP QB 158 no 90.0 99.4 0.194 0.195 0.001 10 0 no 0.079 0 0
1 131 HIS QB 52 yes 100.0 100.0 0.319 0.319 0.000 22 2 no 0.005 0 0
1 133 SER QB 34 no 20.0 30.1 0.101 0.335 0.234 26 0 no 0.923 0 10
1 134 LEU QB 20 no 80.0 25.7 0.182 0.707 0.526 34 14 no 0.593 0 2
1 134 LEU QD 17 no 80.0 79.1 3.647 4.608 0.961 40 14 no 0.740 0 8
1 136 CYS QB 119 no 90.0 94.0 0.082 0.087 0.005 14 0 no 0.454 0 0
1 137 GLU QB 174 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 137 GLU QG 157 no 30.0 6.1 0.004 0.069 0.065 10 0 no 0.450 0 0
1 138 GLN QB 93 no 40.0 94.6 0.053 0.056 0.003 18 4 no 0.140 0 0
1 138 GLN QE 203 no 30.0 100.0 0.082 0.082 0.000 2 2 no 0.000 0 0
1 138 GLN QG 95 no 35.0 48.9 0.131 0.267 0.136 18 6 no 0.690 0 16
1 139 GLU QB 108 no 50.0 46.6 0.088 0.188 0.100 16 0 no 0.810 0 2
1 139 GLU QG 192 no 65.0 42.5 0.292 0.689 0.396 6 0 yes 1.357 8 12
1 140 VAL QG 198 no 10.0 77.7 0.001 0.001 0.000 4 0 no 0.049 0 0
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 4:47:20 AM GMT (wattos1)