NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
381651 |
1j57   |
5261 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1j57
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 192
_Stereo_assign_list.Swap_count 47
_Stereo_assign_list.Swap_percentage 24.5
_Stereo_assign_list.Deassign_count 71
_Stereo_assign_list.Deassign_percentage 37.0
_Stereo_assign_list.Model_count 1
_Stereo_assign_list.Total_e_low_states 1722.359
_Stereo_assign_list.Total_e_high_states 2235.601
_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 9 SER QB 138 no 100.0 100.0 0.006 0.006 0.000 6 2 no 0.000 0 0
1 11 LYS QB 147 no 100.0 0.0 0.000 0.000 0.000 5 4 no 0.000 0 0
1 11 LYS QD 145 yes 100.0 88.0 0.112 0.128 0.015 5 3 no 0.000 0 0
1 11 LYS QE 144 yes 100.0 36.5 0.274 0.750 0.476 5 3 no 0.000 0 0
1 11 LYS QG 88 yes 100.0 58.4 9.016 15.448 6.432 24 15 yes 2.113 2 3
1 13 ASN QB 67 yes 100.0 18.6 0.493 2.656 2.163 27 16 no 0.466 0 0
1 13 ASN QD 34 yes 100.0 6.1 43.152 708.558 665.405 34 19 yes 9.981 12 14
1 14 SER QB 192 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 15 GLU QB 22 no 100.0 97.8 5.722 5.852 0.129 37 13 no 0.248 0 0
1 15 GLU QG 149 no 100.0 100.0 0.061 0.061 0.000 5 5 no 0.248 0 0
1 16 ILE QG 9 no 100.0 15.1 0.816 5.408 4.592 44 20 yes 1.527 1 5
1 17 LEU QB 141 no 100.0 1.7 0.000 0.003 0.003 6 6 no 0.056 0 0
1 17 LEU QD 19 yes 100.0 34.9 8.462 24.277 15.815 38 16 yes 2.013 5 8
1 18 GLU QB 112 no 100.0 69.8 10.334 14.801 4.466 18 10 yes 1.531 1 1
1 18 GLU QG 154 no 100.0 99.8 2.616 2.620 0.004 4 3 no 0.066 0 0
1 19 GLN QB 38 no 100.0 64.3 0.634 0.985 0.351 33 23 no 0.375 0 0
1 19 GLN QE 80 no 100.0 9.9 0.213 2.144 1.931 26 18 yes 0.800 0 2
1 19 GLN QG 43 no 100.0 37.4 1.430 3.823 2.393 32 21 yes 1.484 1 1
1 20 LEU QB 7 no 100.0 59.1 0.601 1.017 0.416 51 30 no 0.486 0 0
1 20 LEU QD 13 no 100.0 90.8 10.898 12.009 1.110 41 28 yes 1.049 1 1
1 21 LYS QB 42 no 100.0 25.6 0.931 3.632 2.701 32 20 yes 1.442 1 2
1 21 LYS QD 132 yes 100.0 37.8 0.494 1.309 0.815 10 9 yes 0.571 0 1
1 21 LYS QE 131 no 100.0 0.8 0.002 0.210 0.208 10 8 no 0.237 0 0
1 21 LYS QG 16 no 100.0 12.8 2.028 15.844 13.816 40 23 yes 2.547 2 4
1 22 GLN QB 153 yes 100.0 65.0 0.262 0.402 0.141 4 3 no 0.000 0 0
1 22 GLN QE 117 no 100.0 99.2 0.672 0.678 0.006 17 9 no 0.000 0 0
1 22 GLN QG 106 no 100.0 12.2 0.115 0.944 0.829 19 9 yes 0.907 0 1
1 24 SER QB 21 no 100.0 79.2 1.693 2.137 0.444 37 13 yes 0.559 0 1
1 25 ASP QB 33 no 100.0 98.7 2.728 2.764 0.036 34 16 no 0.189 0 0
1 26 GLY QA 129 no 100.0 0.0 0.000 0.000 0.000 11 4 no 0.000 0 0
1 27 LEU QB 37 no 100.0 99.0 1.688 1.704 0.017 33 14 no 0.115 0 0
1 27 LEU QD 23 no 100.0 24.7 3.350 13.575 10.225 37 20 yes 3.197 1 1
1 28 LEU QB 96 yes 100.0 97.5 1.388 1.423 0.035 22 8 no 0.090 0 0
1 28 LEU QD 28 yes 100.0 83.5 4.138 4.959 0.821 35 13 yes 0.835 0 1
1 29 PHE QB 146 no 100.0 0.0 0.000 0.000 0.000 5 4 no 0.000 0 0
1 30 MET QB 82 yes 100.0 26.2 7.759 29.593 21.834 25 14 yes 3.419 3 4
1 31 SER QB 123 yes 100.0 74.5 0.263 0.353 0.090 14 2 no 0.300 0 0
1 32 GLU QB 29 yes 100.0 82.9 0.995 1.200 0.205 35 14 no 0.361 0 0
1 32 GLU QG 140 yes 100.0 2.2 1.335 60.565 59.229 6 3 yes 5.569 3 3
1 33 SER QB 157 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 34 GLU QB 191 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 35 TYR QB 51 no 100.0 95.4 0.451 0.472 0.022 29 11 no 0.147 0 0
1 36 PRO QD 167 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 36 PRO QG 116 no 100.0 94.9 1.338 1.410 0.072 17 5 no 0.255 0 0
1 37 PHE QB 53 no 100.0 91.5 2.241 2.449 0.208 29 16 no 0.456 0 0
1 38 GLU QB 100 yes 100.0 100.0 0.316 0.316 0.000 21 8 no 0.000 0 0
1 39 VAL QG 3 no 100.0 98.4 13.277 13.498 0.220 56 31 no 0.265 0 0
1 40 PHE QB 165 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 41 LEU QB 92 yes 100.0 36.0 5.935 16.492 10.557 23 9 yes 3.164 1 1
1 41 LEU QD 18 no 100.0 8.2 3.825 46.571 42.747 39 20 yes 3.981 7 10
1 42 TRP QB 72 no 100.0 77.9 1.824 2.341 0.517 26 10 no 0.223 0 0
1 43 GLU QB 166 no 100.0 97.7 0.211 0.216 0.005 3 3 no 0.000 0 0
1 43 GLU QG 137 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 45 SER QB 111 yes 100.0 16.0 1.968 12.274 10.306 18 7 yes 0.881 0 2
1 48 PRO QB 76 no 100.0 95.4 4.785 5.015 0.230 26 14 no 0.440 0 0
1 48 PRO QD 102 no 100.0 16.8 5.321 31.709 26.388 21 16 yes 2.796 1 4
1 48 PRO QG 97 no 100.0 3.8 0.086 2.272 2.185 22 12 yes 0.879 0 1
1 49 VAL QG 122 yes 100.0 18.5 0.990 5.355 4.366 14 2 yes 2.087 1 1
1 52 GLU QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 GLU QG 190 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 53 ILE QG 143 no 100.0 33.1 0.308 0.931 0.623 5 3 no 0.324 0 0
1 54 VAL QG 30 yes 100.0 63.1 4.934 7.824 2.890 35 22 yes 1.259 1 1
1 55 LEU QB 26 no 100.0 32.6 0.381 1.168 0.787 36 14 yes 0.863 0 1
1 55 LEU QD 25 no 100.0 30.0 2.284 7.603 5.318 37 23 yes 1.319 2 3
1 56 GLN QB 77 no 100.0 68.0 11.452 16.843 5.391 26 15 yes 1.729 1 2
1 56 GLN QE 45 yes 100.0 88.7 1.395 1.572 0.177 31 21 no 0.337 0 0
1 56 GLN QG 47 no 100.0 91.2 3.279 3.594 0.316 30 14 no 0.441 0 0
1 57 GLN QE 119 yes 100.0 25.5 1.326 5.201 3.875 17 10 yes 1.513 1 1
1 57 GLN QG 73 no 100.0 94.8 2.853 3.009 0.156 26 11 no 0.298 0 0
1 59 GLY QA 128 no 100.0 0.0 0.000 0.000 0.000 11 2 no 0.000 0 0
1 60 HIS QB 94 no 100.0 84.0 0.049 0.058 0.009 22 4 no 0.220 0 0
1 61 GLY QA 99 no 100.0 93.8 2.094 2.234 0.139 21 5 no 0.353 0 0
1 62 GLN QB 104 no 100.0 53.1 18.319 34.492 16.173 21 17 yes 3.161 2 2
1 62 GLN QE 109 no 100.0 100.0 0.044 0.044 0.000 19 11 no 0.000 0 0
1 62 GLN QG 189 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 63 ASP QB 180 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 65 PRO QB 164 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 65 PRO QD 41 no 100.0 100.0 0.005 0.005 0.000 32 17 no 0.000 0 0
1 65 PRO QG 93 no 100.0 99.9 1.892 1.895 0.002 23 12 no 0.047 0 0
1 66 PHE QB 57 yes 100.0 96.4 1.704 1.769 0.064 28 10 no 0.217 0 0
1 67 LYS QB 152 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 67 LYS QE 188 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 67 LYS QG 187 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.151 0 0
1 68 VAL QG 17 yes 100.0 74.5 34.107 45.756 11.649 40 31 yes 2.475 3 5
1 69 VAL QG 1 no 100.0 39.5 4.255 10.762 6.507 64 25 yes 2.812 1 2
1 70 ASP QB 31 yes 100.0 47.0 0.121 0.258 0.137 34 12 no 0.294 0 0
1 71 ILE QG 65 yes 100.0 36.4 2.186 6.001 3.815 27 13 yes 1.210 2 2
1 72 ASP QB 121 no 100.0 66.1 8.390 12.702 4.311 15 7 yes 2.045 1 1
1 73 SER QB 174 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 74 PHE QB 27 no 100.0 72.6 2.925 4.027 1.102 36 23 no 0.065 0 0
1 75 PHE QB 61 no 100.0 99.8 2.381 2.385 0.004 28 14 no 0.065 0 0
1 76 SER QB 177 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 77 ARG QB 173 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 77 ARG QG 126 no 100.0 55.9 1.084 1.939 0.855 13 0 yes 0.925 0 1
1 81 PRO QB 172 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 81 PRO QD 108 yes 100.0 96.8 1.119 1.156 0.037 19 11 no 0.194 0 0
1 81 PRO QG 50 no 100.0 29.6 0.491 1.657 1.166 30 19 yes 0.898 0 2
1 82 GLN QB 90 no 100.0 100.0 3.269 3.269 0.000 23 7 no 0.009 0 0
1 82 GLN QE 85 no 100.0 98.7 0.088 0.089 0.001 24 10 no 0.034 0 0
1 82 GLN QG 101 no 100.0 100.0 0.280 0.280 0.000 21 13 no 0.000 0 0
1 83 ASP QB 179 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 84 TRP QB 110 no 100.0 97.4 1.678 1.723 0.044 18 5 no 0.202 0 0
1 85 TYR QB 15 yes 100.0 99.5 0.703 0.706 0.003 40 19 no 0.059 0 0
1 86 GLU QB 120 no 100.0 57.0 1.310 2.300 0.990 16 5 yes 0.800 0 2
1 86 GLU QG 186 no 100.0 11.1 0.000 0.001 0.001 1 1 no 0.033 0 0
1 88 GLU QB 118 no 100.0 93.7 0.876 0.935 0.059 17 10 no 0.231 0 0
1 88 GLU QG 139 yes 100.0 97.8 1.022 1.044 0.023 6 3 no 0.151 0 0
1 89 GLU QB 10 no 100.0 53.3 0.639 1.200 0.561 44 22 yes 0.617 0 1
1 89 GLU QG 156 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 90 ASN QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 ASN QD 71 no 100.0 100.0 1.239 1.239 0.000 26 9 no 0.000 0 0
1 92 VAL QG 24 no 100.0 100.0 0.093 0.093 0.000 37 21 no 0.000 0 0
1 93 VAL QG 5 no 100.0 84.0 2.463 2.931 0.468 53 28 yes 0.603 0 1
1 95 LYS QB 155 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 95 LYS QD 171 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 95 LYS QG 98 no 100.0 60.3 0.706 1.171 0.465 21 5 yes 0.682 0 1
1 96 PHE QB 114 no 100.0 100.0 0.034 0.034 0.000 17 1 no 0.000 0 0
1 97 GLN QB 70 no 100.0 51.4 0.982 1.910 0.927 26 9 no 0.110 0 0
1 97 GLN QE 44 no 100.0 47.6 0.409 0.860 0.451 31 16 yes 0.591 0 1
1 97 GLN QG 64 no 100.0 61.3 3.401 5.546 2.146 27 12 no 0.003 0 0
1 98 LYS QB 89 yes 100.0 99.3 6.600 6.644 0.044 23 7 no 0.209 0 0
1 98 LYS QD 158 no 100.0 72.5 0.863 1.190 0.328 3 0 yes 0.572 0 1
1 98 LYS QE 178 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 99 LEU QB 163 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 99 LEU QD 75 no 100.0 55.0 21.749 39.557 17.808 26 14 yes 4.147 1 2
1 100 LEU QB 60 no 100.0 61.4 10.890 17.728 6.838 28 11 yes 2.171 1 2
1 100 LEU QD 2 yes 100.0 95.6 14.480 15.144 0.664 60 35 yes 0.763 0 1
1 101 GLU QB 162 no 100.0 86.4 2.580 2.986 0.406 3 2 yes 0.565 0 1
1 102 VAL QG 35 yes 100.0 78.9 1.390 1.761 0.371 33 11 no 0.168 0 0
1 103 ILE QG 151 no 100.0 70.8 4.663 6.586 1.923 4 2 yes 1.387 1 1
1 104 LYS QB 87 no 100.0 83.1 3.222 3.879 0.657 24 15 no 0.398 0 0
1 104 LYS QD 81 no 100.0 61.4 1.268 2.064 0.796 26 19 yes 0.633 0 1
1 104 LYS QE 105 yes 100.0 96.4 3.721 3.860 0.139 20 13 no 0.183 0 0
1 104 LYS QG 159 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 105 SER QB 56 yes 100.0 84.5 0.369 0.436 0.067 28 10 no 0.238 0 0
1 106 ASN QB 161 no 100.0 85.5 1.559 1.824 0.265 3 2 yes 0.515 0 1
1 106 ASN QD 20 yes 100.0 52.2 2.658 5.093 2.435 38 17 yes 1.217 1 2
1 107 LEU QB 134 no 100.0 1.7 0.011 0.655 0.644 8 5 no 0.379 0 0
1 107 LEU QD 11 no 100.0 39.2 3.159 8.058 4.898 43 21 yes 1.593 1 4
1 108 LYS QB 160 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 108 LYS QD 170 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 108 LYS QE 185 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 108 LYS QG 78 no 100.0 99.3 1.593 1.604 0.011 26 16 no 0.106 0 0
1 109 ASN QB 86 no 100.0 68.9 0.146 0.212 0.066 24 13 no 0.155 0 0
1 109 ASN QD 36 no 100.0 47.2 0.306 0.649 0.343 33 13 yes 0.502 0 1
1 110 PRO QB 184 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 110 PRO QD 59 no 100.0 19.0 6.177 32.472 26.295 28 11 yes 3.010 1 2
1 110 PRO QG 176 no 100.0 100.0 0.072 0.072 0.000 2 2 no 0.000 0 0
1 111 GLN QB 84 no 100.0 21.2 0.009 0.041 0.033 24 9 no 0.181 0 0
1 111 GLN QE 103 no 100.0 5.1 2.242 43.871 41.629 21 17 yes 5.356 2 3
1 111 GLN QG 183 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 112 VAL QG 4 no 100.0 100.0 4.259 4.260 0.001 54 15 no 0.121 0 0
1 113 TYR QB 39 no 100.0 96.8 1.027 1.061 0.034 32 13 no 0.125 0 0
1 114 ARG QB 130 no 100.0 0.6 0.000 0.054 0.054 10 5 no 0.232 0 0
1 114 ARG QD 79 no 100.0 81.6 0.964 1.182 0.218 26 17 no 0.397 0 0
1 114 ARG QG 136 no 100.0 27.2 0.005 0.018 0.013 7 4 no 0.100 0 0
1 115 LEU QB 142 no 100.0 100.0 0.242 0.242 0.000 5 1 no 0.000 0 0
1 115 LEU QD 40 yes 100.0 27.0 3.103 11.492 8.389 32 15 yes 2.594 1 2
1 116 GLY QA 62 no 100.0 81.6 1.969 2.412 0.443 27 11 yes 0.666 0 1
1 117 GLU QB 68 yes 100.0 96.1 1.721 1.790 0.069 27 17 no 0.263 0 0
1 117 GLU QG 127 yes 100.0 99.5 2.049 2.059 0.010 13 8 no 0.083 0 0
1 118 VAL QG 148 no 100.0 0.0 0.000 0.000 0.000 5 5 no 0.000 0 0
1 119 GLU QB 49 no 100.0 71.3 6.952 9.749 2.797 30 19 yes 0.893 0 2
1 119 GLU QG 54 yes 100.0 34.5 0.256 0.744 0.488 29 19 no 0.344 0 0
1 120 LEU QB 46 no 100.0 98.8 0.924 0.936 0.012 30 11 no 0.090 0 0
1 120 LEU QD 6 no 100.0 36.4 1.051 2.889 1.837 52 29 yes 1.048 1 2
1 121 ASP QB 107 no 100.0 99.3 0.892 0.898 0.006 19 10 no 0.079 0 0
1 122 VAL QG 8 yes 100.0 98.6 5.506 5.584 0.078 50 16 no 0.220 0 0
1 123 TYR QB 55 no 100.0 88.6 0.886 1.000 0.114 28 10 no 0.338 0 0
1 124 VAL QG 14 no 100.0 65.8 0.609 0.925 0.316 40 17 yes 0.562 0 1
1 125 ILE QG 150 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 126 GLY QA 58 no 100.0 36.4 6.633 18.224 11.591 28 11 yes 1.280 2 3
1 127 GLU QB 63 yes 100.0 3.3 2.007 61.697 59.690 27 12 yes 6.175 4 6
1 127 GLU QG 95 no 100.0 98.7 2.824 2.860 0.036 22 8 no 0.180 0 0
1 129 PRO QB 115 yes 100.0 20.0 1.731 8.661 6.930 17 5 yes 2.148 2 4
1 129 PRO QD 135 yes 100.0 12.3 1.933 15.707 13.774 7 3 yes 3.708 1 1
1 129 PRO QG 66 no 100.0 1.0 0.554 56.600 56.046 27 15 yes 4.725 3 4
1 131 GLY QA 124 no 100.0 15.3 0.107 0.701 0.594 14 5 yes 0.770 0 1
1 132 ASN QB 52 yes 100.0 2.1 3.849 185.256 181.407 29 16 yes 6.931 5 6
1 132 ASN QD 91 yes 100.0 13.0 7.859 60.339 52.481 23 8 yes 5.157 1 1
1 133 LEU QB 48 no 100.0 19.4 5.005 25.736 20.731 30 17 yes 3.086 5 8
1 133 LEU QD 12 yes 100.0 2.5 3.952 156.944 152.992 41 25 yes 6.027 13 14
1 135 GLY QA 74 no 100.0 97.3 1.136 1.168 0.032 26 12 no 0.175 0 0
1 136 ILE QG 175 no 100.0 68.3 0.152 0.222 0.070 2 2 no 0.204 0 0
1 137 SER QB 113 no 100.0 24.9 0.063 0.253 0.190 17 0 no 0.333 0 0
1 139 LYS QD 182 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 139 LYS QE 133 yes 100.0 97.3 0.705 0.725 0.019 8 5 no 0.139 0 0
1 139 LYS QG 181 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 140 VAL QG 83 no 100.0 76.1 0.429 0.564 0.135 25 21 no 0.283 0 0
1 141 VAL QG 32 yes 100.0 67.0 15.525 23.156 7.631 34 16 yes 2.511 2 2
1 142 GLU QB 69 no 100.0 53.2 13.017 24.488 11.470 27 19 yes 2.775 1 1
1 142 GLU QG 125 no 100.0 42.0 27.798 66.176 38.378 14 9 yes 5.959 1 2
stop_
save_
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