NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
582527 |
2mf7   |
19538 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mf7
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 236
_Stereo_assign_list.Swap_count 1
_Stereo_assign_list.Swap_percentage 0.4
_Stereo_assign_list.Deassign_count 23
_Stereo_assign_list.Deassign_percentage 9.7
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 113.483
_Stereo_assign_list.Total_e_high_states 789.587
_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 GLY QA 232 no 15.0 100.0 0.014 0.014 0.000 2 0 no 0.000 0 0
1 3 MET QB 231 no 45.0 100.0 0.036 0.036 0.000 2 0 no 0.000 0 0
1 3 MET QG 220 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 5 SER QB 102 no 100.0 99.9 1.993 1.994 0.002 12 4 no 0.112 0 0
1 6 GLY QA 236 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 7 ASP QB 136 no 30.0 66.3 0.037 0.055 0.019 10 1 no 0.308 0 0
1 9 GLN QB 19 no 100.0 99.8 2.712 2.717 0.005 25 16 no 0.279 0 0
1 9 GLN QE 155 no 100.0 99.0 2.218 2.239 0.022 10 7 no 0.303 0 0
1 9 GLN QG 23 no 100.0 98.7 2.302 2.332 0.029 24 15 no 0.222 0 0
1 10 LEU QB 46 no 100.0 100.0 1.419 1.419 0.000 19 10 no 0.089 0 0
1 10 LEU QD 6 no 100.0 99.1 8.104 8.180 0.076 42 27 no 0.301 0 0
1 11 PHE QB 80 no 100.0 99.9 0.545 0.546 0.000 15 5 no 0.072 0 0
1 11 PHE QD 188 no 100.0 100.0 13.838 13.838 0.000 8 5 no 0.000 0 0
1 11 PHE QE 187 no 100.0 100.0 7.188 7.188 0.000 8 5 no 0.006 0 0
1 12 ASN QB 63 no 100.0 96.7 0.599 0.620 0.021 17 13 no 0.346 0 0
1 12 ASN QD 20 no 95.0 98.9 4.132 4.176 0.044 24 10 no 0.350 0 0
1 13 ARG QB 72 no 100.0 100.0 0.612 0.612 0.000 16 10 no 0.037 0 0
1 13 ARG QD 24 no 100.0 98.4 5.385 5.470 0.085 24 19 no 0.350 0 0
1 13 ARG QG 145 no 95.0 98.2 0.228 0.232 0.004 10 5 no 0.167 0 0
1 15 VAL QG 5 no 100.0 93.8 27.013 28.786 1.773 43 19 yes 1.661 13 32
1 16 SER QB 186 no 80.0 95.1 0.787 0.827 0.041 8 5 no 0.346 0 0
1 17 MET QB 45 no 100.0 99.8 2.526 2.531 0.005 19 8 no 0.091 0 0
1 17 MET QG 36 no 100.0 97.8 5.270 5.386 0.116 20 5 no 0.444 0 0
1 18 VAL QG 1 no 100.0 95.1 19.631 20.653 1.022 48 20 yes 2.451 6 17
1 19 GLU QB 76 no 100.0 99.9 2.484 2.488 0.004 16 11 no 0.119 0 0
1 19 GLU QG 40 no 100.0 97.9 1.140 1.164 0.024 20 12 no 0.215 0 0
1 20 LYS QB 128 no 100.0 100.0 0.093 0.093 0.000 11 7 no 0.000 0 0
1 20 LYS QD 215 no 80.0 99.9 0.011 0.011 0.000 5 3 no 0.011 0 0
1 20 LYS QE 55 no 100.0 97.9 1.127 1.151 0.024 18 12 no 0.204 0 0
1 20 LYS QG 223 no 95.0 99.9 0.028 0.028 0.000 4 2 no 0.019 0 0
1 21 ASN QB 21 no 100.0 99.3 2.325 2.341 0.016 24 11 no 0.244 0 0
1 21 ASN QD 44 no 100.0 98.6 3.008 3.052 0.044 19 8 no 0.923 0 1
1 22 LYS QB 195 no 100.0 100.0 0.092 0.092 0.000 7 4 no 0.000 0 0
1 22 LYS QD 154 no 50.0 96.6 0.234 0.242 0.008 10 7 no 0.198 0 0
1 22 LYS QE 197 no 95.0 99.4 1.415 1.423 0.008 7 5 no 0.152 0 0
1 22 LYS QG 91 no 100.0 98.6 0.334 0.339 0.005 14 9 no 0.122 0 0
1 23 ASP QB 22 no 100.0 89.2 3.789 4.248 0.459 24 15 yes 1.944 3 3
1 24 ILE QG 15 no 100.0 99.5 2.202 2.212 0.010 28 17 no 0.192 0 0
1 25 ARG QB 118 no 100.0 10.5 0.008 0.080 0.072 11 3 no 0.359 0 0
1 25 ARG QD 198 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 25 ARG QG 221 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 26 SER QB 222 no 100.0 92.2 0.850 0.922 0.072 4 2 no 0.359 0 0
1 27 LEU QB 39 no 100.0 99.6 0.247 0.248 0.001 20 12 no 0.099 0 0
1 27 LEU QD 41 no 100.0 100.0 4.456 4.457 0.000 20 13 no 0.063 0 0
1 28 LEU QB 75 no 100.0 98.7 0.795 0.806 0.011 16 11 no 0.080 0 0
1 28 LEU QD 7 no 100.0 99.9 20.013 20.025 0.012 41 17 no 0.204 0 0
1 29 GLN QB 196 no 30.0 91.9 0.016 0.017 0.001 7 5 no 0.107 0 0
1 29 GLN QE 109 no 85.0 99.4 1.171 1.178 0.007 12 6 no 0.180 0 0
1 29 GLN QG 71 no 100.0 100.0 1.154 1.155 0.001 16 10 no 0.099 0 0
1 30 CYS QB 178 no 100.0 99.8 2.257 2.262 0.005 8 2 no 0.193 0 0
1 31 ASP QB 177 no 70.0 96.2 0.411 0.427 0.016 8 0 no 0.381 0 0
1 32 ASP QB 130 no 100.0 100.0 3.421 3.422 0.001 11 8 no 0.144 0 0
1 33 GLY QA 86 no 100.0 99.4 0.300 0.302 0.002 14 6 no 0.128 0 0
1 34 ILE QG 134 no 85.0 95.1 0.466 0.490 0.024 10 0 no 0.272 0 0
1 36 GLY QA 115 no 100.0 98.6 0.788 0.799 0.011 12 8 no 0.245 0 0
1 37 LYS QB 70 no 100.0 100.0 1.629 1.630 0.001 16 10 no 0.121 0 0
1 37 LYS QD 47 no 100.0 99.4 1.557 1.566 0.010 19 13 no 0.212 0 0
1 37 LYS QE 133 no 100.0 99.5 0.979 0.984 0.005 11 9 no 0.140 0 0
1 37 LYS QG 59 no 100.0 99.9 2.254 2.256 0.002 17 10 no 0.128 0 0
1 38 GLU QB 182 no 50.0 89.5 0.082 0.091 0.010 8 4 no 0.209 0 0
1 38 GLU QG 200 no 10.0 8.5 0.002 0.022 0.020 6 1 no 0.292 0 0
1 39 ARG QB 168 no 85.0 89.5 0.061 0.069 0.007 9 5 no 0.254 0 0
1 39 ARG QD 165 no 100.0 99.0 1.670 1.687 0.017 9 4 no 0.254 0 0
1 39 ARG QG 194 no 5.0 100.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 40 LEU QB 153 no 100.0 100.0 0.001 0.001 0.000 10 7 no 0.096 0 0
1 40 LEU QD 29 no 100.0 99.9 13.017 13.034 0.016 22 11 no 0.223 0 0
1 41 LYS QB 116 no 25.0 23.1 0.238 1.030 0.792 12 9 no 0.142 0 0
1 41 LYS QD 172 no 80.0 59.0 3.230 5.479 2.249 9 7 no 0.142 0 0
1 41 LYS QE 144 no 100.0 99.1 4.665 4.709 0.044 10 5 no 0.431 0 0
1 41 LYS QG 143 no 10.0 99.6 0.001 0.001 0.000 10 5 no 0.009 0 0
1 43 TYR QB 123 no 100.0 99.8 2.056 2.059 0.004 11 4 no 0.071 0 0
1 43 TYR QD 213 no 75.0 70.3 0.625 0.889 0.265 5 1 yes 1.060 4 5
1 43 TYR QE 88 no 75.0 63.1 21.771 34.487 12.716 14 8 yes 3.893 34 37
1 44 GLY QA 58 no 100.0 98.7 1.972 1.998 0.026 17 7 no 0.291 0 0
1 45 GLU QB 141 no 100.0 94.6 2.174 2.297 0.123 10 4 no 0.497 0 0
1 45 GLU QG 142 no 30.0 92.9 0.126 0.136 0.010 10 5 no 0.291 0 0
1 46 LEU QB 234 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 46 LEU QD 139 no 100.0 99.3 2.940 2.960 0.020 10 3 no 0.290 0 0
1 47 ILE QG 219 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 49 ASN QB 192 no 85.0 95.8 2.133 2.227 0.094 7 2 no 0.492 0 0
1 50 ASP QB 225 no 50.0 1.1 0.001 0.058 0.057 3 0 no 0.494 0 0
1 51 LYS QB 202 no 95.0 97.9 0.010 0.010 0.000 6 2 no 0.295 0 0
1 51 LYS QG 227 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 52 TRP QB 176 no 25.0 71.5 0.014 0.019 0.005 8 0 no 0.325 0 0
1 54 ARG QB 104 no 40.0 95.6 0.283 0.296 0.013 12 5 no 0.306 0 0
1 54 ARG QD 209 no 60.0 94.9 1.541 1.623 0.082 5 0 no 0.442 0 0
1 54 ARG QG 193 no 100.0 0.0 0.000 0.016 0.016 7 3 no 0.304 0 0
1 55 ASN QB 159 no 60.0 85.4 0.181 0.212 0.031 9 3 no 0.345 0 0
1 56 ARG QB 174 no 75.0 92.9 0.554 0.596 0.042 9 8 no 0.336 0 0
1 56 ARG QG 218 no 100.0 0.0 0.000 0.000 0.000 5 4 no 0.000 0 0
1 57 PRO QB 179 no 90.0 94.8 0.398 0.420 0.022 8 3 no 0.249 0 0
1 57 PRO QD 185 no 100.0 95.8 1.493 1.558 0.066 8 5 no 0.406 0 0
1 57 PRO QG 233 no 30.0 99.9 0.152 0.152 0.000 2 1 no 0.047 0 0
1 58 ILE QG 26 no 55.0 90.2 0.162 0.179 0.018 23 8 no 0.194 0 0
1 59 VAL QG 50 no 100.0 99.7 6.377 6.397 0.020 18 8 no 0.282 0 0
1 60 SER QB 28 no 70.0 98.3 0.385 0.392 0.007 22 7 no 0.166 0 0
1 62 LYS QB 92 no 100.0 99.7 2.229 2.236 0.007 13 4 no 0.137 0 0
1 62 LYS QD 79 no 35.0 97.5 0.115 0.118 0.003 15 5 no 0.177 0 0
1 62 LYS QG 64 no 100.0 99.9 1.743 1.745 0.002 16 3 no 0.105 0 0
1 63 LYS QB 62 no 65.0 37.2 2.654 7.135 4.482 17 13 yes 3.258 18 18
1 63 LYS QD 117 no 95.0 21.9 1.045 4.779 3.733 12 10 yes 2.717 6 6
1 63 LYS QE 173 no 100.0 64.7 0.856 1.322 0.466 9 8 no 0.084 0 0
1 63 LYS QG 61 no 65.0 1.0 0.107 10.591 10.484 17 11 yes 4.245 23 23
1 64 LEU QB 122 no 100.0 100.0 0.481 0.481 0.000 11 4 no 0.000 0 0
1 64 LEU QD 37 no 100.0 98.9 3.110 3.144 0.034 20 9 no 0.324 0 0
1 65 ASP QB 67 no 100.0 96.1 0.485 0.504 0.019 16 8 no 0.273 0 0
1 66 LYS QB 148 no 100.0 98.9 0.507 0.513 0.006 10 6 no 0.214 0 0
1 66 LYS QD 184 no 100.0 98.1 1.659 1.691 0.032 8 5 no 0.311 0 0
1 66 LYS QE 127 no 100.0 99.7 5.275 5.291 0.016 11 7 no 0.215 0 0
1 66 LYS QG 152 no 85.0 100.0 0.460 0.460 0.000 10 7 no 0.053 0 0
1 67 GLU QB 151 no 90.0 98.4 0.201 0.204 0.003 10 7 no 0.170 0 0
1 67 GLU QG 126 no 95.0 99.8 0.590 0.591 0.001 11 7 no 0.087 0 0
1 68 GLY QA 150 no 100.0 100.0 0.696 0.696 0.000 10 7 no 0.058 0 0
1 69 ARG QB 129 no 95.0 99.2 0.933 0.941 0.008 11 8 no 0.199 0 0
1 69 ARG QD 42 no 100.0 98.5 1.455 1.477 0.022 20 14 no 0.380 0 0
1 69 ARG QG 125 no 90.0 100.0 3.520 3.522 0.001 11 7 no 0.168 0 0
1 71 HIS QB 65 no 65.0 9.2 0.113 1.236 1.122 16 5 yes 1.909 9 12
1 72 HIS QB 30 no 100.0 100.0 4.895 4.897 0.002 21 6 no 0.120 0 0
1 73 TYR QB 138 no 100.0 98.2 0.668 0.680 0.012 10 3 no 0.000 0 0
1 73 TYR QD 85 no 70.0 54.4 22.815 41.932 19.117 14 6 yes 3.746 58 66
1 73 TYR QE 156 no 70.0 48.3 16.235 33.605 17.370 10 8 yes 3.925 38 51
1 74 MET QB 52 no 95.0 92.2 0.077 0.084 0.007 18 9 no 0.166 0 0
1 74 MET QG 27 no 100.0 99.5 0.493 0.495 0.002 22 5 no 0.150 0 0
1 75 ARG QB 74 no 100.0 100.0 0.005 0.005 0.000 16 11 no 0.291 0 0
1 75 ARG QD 99 no 70.0 96.4 0.139 0.144 0.005 13 9 no 0.281 0 0
1 75 ARG QG 164 no 40.0 84.3 0.100 0.118 0.019 9 4 no 0.399 0 0
1 76 PHE QB 56 no 100.0 99.9 2.033 2.035 0.002 17 6 no 0.069 0 0
1 76 PHE QD 121 no 60.0 36.5 3.592 9.846 6.254 11 4 yes 2.540 55 78
1 76 PHE QE 66 no 60.0 6.3 0.178 2.802 2.624 16 7 yes 1.670 15 41
1 77 HIS QB 140 no 45.0 78.9 0.044 0.056 0.012 10 4 no 0.202 0 0
1 78 VAL QG 8 no 100.0 96.9 25.453 26.281 0.827 37 13 yes 1.326 12 12
1 79 GLU QB 158 no 100.0 66.9 4.413 6.597 2.184 9 3 no 0.134 0 0
1 79 GLU QG 43 no 100.0 91.2 0.500 0.548 0.048 19 7 no 0.501 0 1
1 80 SER QB 53 no 5.0 97.6 0.051 0.053 0.001 18 10 no 0.070 0 0
1 81 LYS QB 69 no 100.0 99.0 0.693 0.700 0.007 16 10 no 0.264 0 0
1 81 LYS QD 68 no 75.0 85.9 0.095 0.111 0.016 16 9 no 0.268 0 0
1 81 LYS QE 32 no 100.0 99.1 6.053 6.111 0.057 21 11 no 0.407 0 0
1 81 LYS QG 84 no 100.0 100.0 1.521 1.521 0.001 15 11 no 0.070 0 0
1 82 LYS QB 82 no 20.0 100.0 0.181 0.181 0.000 15 10 no 0.037 0 0
1 82 LYS QD 212 no 40.0 90.2 0.034 0.038 0.004 5 1 no 0.151 0 0
1 82 LYS QE 230 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 82 LYS QG 60 no 100.0 99.0 1.171 1.184 0.012 17 11 no 0.221 0 0
1 83 LYS QB 170 no 100.0 98.8 1.303 1.320 0.016 9 6 no 0.219 0 0
1 83 LYS QD 169 no 100.0 98.1 0.555 0.565 0.011 9 6 no 0.228 0 0
1 83 LYS QE 171 no 100.0 99.1 1.675 1.690 0.015 9 7 no 0.302 0 0
1 83 LYS QG 114 no 90.0 99.1 0.168 0.169 0.002 12 8 no 0.136 0 0
1 84 ILE QG 93 no 100.0 99.2 0.380 0.383 0.003 13 5 no 0.115 0 0
1 86 LEU QB 31 no 100.0 99.5 1.124 1.130 0.006 21 9 no 0.120 0 0
1 86 LEU QD 12 no 100.0 59.5 7.833 13.173 5.340 29 16 yes 2.315 10 10
1 87 VAL QG 4 no 100.0 98.4 8.488 8.623 0.135 45 16 no 0.855 0 3
1 88 HIS QB 163 no 100.0 98.7 1.409 1.428 0.018 9 4 no 0.291 0 0
1 89 LEU QB 17 no 100.0 99.9 3.094 3.097 0.003 25 9 no 0.122 0 0
1 89 LEU QD 2 no 100.0 99.9 15.526 15.539 0.013 47 19 no 0.209 0 0
1 90 GLU QB 201 no 95.0 97.5 0.189 0.194 0.005 6 2 no 0.165 0 0
1 90 GLU QG 135 no 100.0 97.4 1.733 1.778 0.046 10 1 no 0.324 0 0
1 92 LYS QB 81 no 100.0 98.5 0.231 0.235 0.003 15 9 no 0.152 0 0
1 92 LYS QD 132 no 100.0 99.0 0.338 0.342 0.003 11 9 no 0.233 0 0
1 92 LYS QE 100 no 55.0 96.0 0.278 0.290 0.012 13 12 no 0.222 0 0
1 92 LYS QG 87 no 95.0 99.8 0.755 0.756 0.001 14 7 no 0.132 0 0
1 93 GLU QB 108 no 100.0 99.7 0.820 0.822 0.002 12 6 no 0.129 0 0
1 93 GLU QG 13 no 100.0 97.8 1.245 1.273 0.028 28 12 no 0.296 0 0
1 94 SER QB 95 no 100.0 99.1 1.071 1.081 0.010 13 6 no 0.222 0 0
1 95 LYS QB 175 no 100.0 99.7 1.547 1.551 0.005 9 9 no 0.198 0 0
1 95 LYS QD 190 no 100.0 99.7 2.431 2.439 0.008 8 6 no 0.245 0 0
1 95 LYS QE 112 no 100.0 99.5 3.261 3.276 0.015 12 7 no 0.191 0 0
1 95 LYS QG 217 no 65.0 95.4 0.087 0.091 0.004 5 4 no 0.148 0 0
1 96 GLN QB 90 no 100.0 99.1 0.523 0.528 0.005 14 9 no 0.198 0 0
1 96 GLN QE 113 no 95.0 98.8 0.894 0.905 0.011 12 8 no 0.205 0 0
1 96 GLN QG 83 no 100.0 99.6 3.044 3.055 0.011 15 11 no 0.191 0 0
1 97 ASN QB 107 no 100.0 57.4 1.016 1.771 0.755 12 6 yes 2.231 3 3
1 97 ASN QD 167 no 100.0 58.1 1.288 2.217 0.930 9 5 yes 2.766 3 3
1 98 TYR QB 162 no 100.0 99.4 1.511 1.519 0.008 9 4 no 0.247 0 0
1 98 TYR QD 206 no 85.0 87.8 13.511 15.390 1.878 6 3 yes 2.123 9 9
1 98 TYR QE 235 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 99 GLN QB 131 no 100.0 99.9 0.407 0.407 0.000 11 9 no 0.062 0 0
1 99 GLN QE 98 no 95.0 98.7 0.543 0.550 0.007 13 9 no 0.137 0 0
1 99 GLN QG 189 no 70.0 99.9 0.163 0.164 0.000 8 6 no 0.043 0 0
1 100 PRO QB 51 no 100.0 100.0 0.644 0.644 0.000 18 9 no 0.018 0 0
1 100 PRO QD 34 no 100.0 100.0 4.132 4.132 0.001 21 13 no 0.062 0 0
1 100 PRO QG 111 no 100.0 99.5 1.335 1.341 0.006 12 7 no 0.137 0 0
1 101 ASP QB 147 no 100.0 95.5 0.453 0.475 0.022 10 6 no 0.239 0 0
1 102 PHE QB 25 no 100.0 99.2 1.172 1.182 0.010 23 8 no 0.144 0 0
1 102 PHE QD 106 no 100.0 100.0 24.437 24.439 0.001 12 6 no 0.084 0 0
1 102 PHE QE 110 no 100.0 100.0 21.730 21.730 0.000 12 7 no 0.034 0 0
1 103 ILE QG 48 no 100.0 99.5 0.897 0.901 0.004 18 6 no 0.222 0 0
1 104 ASN QB 33 no 100.0 99.9 1.944 1.945 0.002 21 12 no 0.142 0 0
1 104 ASN QD 73 no 70.0 91.1 0.239 0.263 0.023 16 11 no 0.231 0 0
1 105 MET QB 49 no 100.0 99.9 2.579 2.581 0.002 18 7 no 0.144 0 0
1 105 MET QG 10 no 100.0 99.6 1.160 1.165 0.005 34 16 no 0.194 0 0
1 106 TYR QB 94 no 90.0 100.0 0.098 0.098 0.000 13 6 no 0.000 0 0
1 106 TYR QD 224 no 90.0 57.1 0.000 0.000 0.000 3 0 no 0.077 0 0
1 106 TYR QE 146 yes 75.0 68.6 17.397 25.353 7.957 10 6 yes 3.774 25 26
1 107 VAL QG 11 no 100.0 99.8 6.929 6.942 0.013 29 8 no 0.192 0 0
1 108 ASP QB 89 no 75.0 64.9 6.254 9.635 3.380 14 9 yes 2.275 5 5
1 109 VAL QG 9 no 100.0 100.0 9.085 9.087 0.002 35 18 no 0.112 0 0
1 110 PRO QB 211 no 40.0 99.2 0.106 0.107 0.001 5 1 no 0.092 0 0
1 110 PRO QD 35 no 100.0 100.0 1.803 1.803 0.000 20 5 no 0.022 0 0
1 110 PRO QG 101 no 40.0 97.8 0.091 0.093 0.002 12 3 no 0.085 0 0
1 111 GLY QA 226 no 5.0 100.0 0.006 0.006 0.000 3 1 no 0.000 0 0
1 112 GLU QB 214 no 100.0 100.0 0.054 0.054 0.000 5 2 no 0.000 0 0
1 112 GLU QG 166 no 100.0 99.9 4.449 4.453 0.004 9 5 no 0.141 0 0
1 113 LYS QB 208 no 95.0 98.8 2.084 2.108 0.024 6 4 no 0.263 0 0
1 113 LYS QD 216 no 50.0 69.8 0.073 0.104 0.031 5 4 no 0.358 0 0
1 113 LYS QE 105 no 85.0 94.9 0.707 0.744 0.038 12 6 no 0.308 0 0
1 113 LYS QG 205 no 25.0 100.0 0.012 0.012 0.000 6 3 no 0.008 0 0
1 114 ARG QB 103 no 100.0 99.9 3.047 3.050 0.003 12 5 no 0.155 0 0
1 114 ARG QD 161 no 75.0 98.4 1.559 1.584 0.025 9 4 no 0.263 0 0
1 114 ARG QG 120 no 35.0 87.2 0.045 0.052 0.007 11 4 no 0.200 0 0
1 115 TYR QB 38 no 100.0 98.7 0.180 0.183 0.002 20 11 no 0.132 0 0
1 115 TYR QD 207 no 95.0 83.2 1.270 1.527 0.257 6 4 no 0.972 0 1
1 115 TYR QE 77 no 95.0 96.2 35.743 37.161 1.418 16 12 yes 2.134 3 7
1 116 TYR QB 57 no 100.0 100.0 1.259 1.259 0.000 17 7 no 0.000 0 0
1 116 TYR QD 96 no 100.0 100.0 28.554 28.557 0.004 13 7 no 0.133 0 0
1 116 TYR QE 157 no 100.0 100.0 24.755 24.755 0.000 10 9 no 0.011 0 0
1 117 LEU QB 14 no 100.0 78.2 1.634 2.090 0.456 28 14 yes 2.764 2 2
1 117 LEU QD 3 no 100.0 97.7 14.163 14.491 0.328 46 26 yes 1.862 2 2
1 118 ILE QG 16 no 100.0 99.9 3.122 3.126 0.003 27 14 no 0.091 0 0
1 119 LYS QB 183 no 95.0 100.0 0.025 0.025 0.000 8 5 no 0.000 0 0
1 119 LYS QD 97 no 95.0 99.8 0.534 0.535 0.001 13 8 no 0.094 0 0
1 119 LYS QE 229 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.067 0 0
1 119 LYS QG 181 no 65.0 95.3 0.009 0.010 0.000 8 4 no 0.092 0 0
1 120 PRO QB 54 no 100.0 98.9 2.957 2.990 0.033 18 11 no 0.349 0 0
1 120 PRO QD 18 no 100.0 99.9 4.813 4.819 0.006 25 14 no 0.151 0 0
1 120 PRO QG 149 no 100.0 96.0 0.940 0.979 0.039 10 7 no 0.303 0 0
1 121 LYS QB 119 no 20.0 52.5 0.002 0.003 0.002 11 4 no 0.135 0 0
1 121 LYS QD 124 no 30.0 88.6 0.291 0.329 0.038 11 6 no 0.379 0 0
1 121 LYS QE 228 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 121 LYS QG 160 no 75.0 92.7 0.656 0.707 0.052 9 4 no 0.479 0 0
1 122 LEU QB 180 no 30.0 100.0 0.007 0.007 0.000 8 4 no 0.000 0 0
1 122 LEU QD 78 no 95.0 99.1 0.578 0.583 0.005 16 13 no 0.183 0 0
1 123 HIS QB 199 no 75.0 99.7 0.839 0.842 0.003 6 1 no 0.153 0 0
1 124 PRO QD 204 no 90.0 99.7 1.658 1.664 0.006 6 3 no 0.220 0 0
1 125 VAL QG 191 no 100.0 100.0 1.279 1.280 0.000 7 1 no 0.077 0 0
1 126 SER QB 210 no 100.0 99.1 0.905 0.912 0.008 5 1 no 0.231 0 0
1 127 ASN QB 203 no 100.0 98.6 0.581 0.589 0.008 6 3 no 0.257 0 0
1 127 ASN QD 137 no 100.0 99.5 0.754 0.758 0.004 10 3 no 0.134 0 0
stop_
save_
Contact the webmaster for help, if required. Sunday, May 19, 2024 12:30:48 PM GMT (wattos1)