NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
649582 |
6taz   |
34443 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6taz
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 221
_Stereo_assign_list.Swap_count 38
_Stereo_assign_list.Swap_percentage 17.2
_Stereo_assign_list.Deassign_count 106
_Stereo_assign_list.Deassign_percentage 48.0
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 1406.425
_Stereo_assign_list.Total_e_high_states 1938.793
_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 ASP QB 208 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 3 SER QB 162 yes 75.0 27.1 1.634 6.033 4.399 6 2 yes 2.791 20 20
1 4 ARG QB 159 no 80.0 70.1 0.062 0.088 0.026 7 6 no 0.487 0 0
1 4 ARG QD 221 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 4 ARG QG 200 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 5 ARG QB 114 no 30.0 45.3 0.055 0.122 0.067 18 7 no 0.635 0 6
1 5 ARG QD 184 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 5 ARG QG 178 no 100.0 100.0 0.009 0.009 0.000 3 0 no 0.407 0 0
1 7 PRO QB 83 no 70.0 20.3 0.734 3.617 2.883 26 11 yes 1.548 21 32
1 7 PRO QD 116 no 95.0 82.5 0.171 0.207 0.036 18 9 no 0.537 0 2
1 9 TRP QB 175 no 100.0 33.8 0.020 0.059 0.039 5 5 no 0.000 0 0
1 10 SER QB 142 no 45.0 22.8 0.007 0.031 0.024 12 6 no 0.001 0 0
1 11 PRO QB 124 no 100.0 0.0 0.000 0.000 0.000 16 7 no 0.000 0 0
1 11 PRO QD 207 no 100.0 75.9 0.005 0.007 0.002 1 0 no 0.138 0 0
1 11 PRO QG 122 no 90.0 23.8 6.043 25.432 19.389 17 13 yes 4.276 20 20
1 12 GLU QB 135 no 50.0 19.4 0.090 0.466 0.375 14 7 no 0.773 0 11
1 12 GLU QG 139 no 30.0 42.3 0.060 0.143 0.082 13 7 yes 1.002 1 3
1 13 GLU QB 158 no 75.0 16.6 0.058 0.351 0.293 7 6 no 0.020 0 0
1 13 GLU QG 183 no 100.0 1.4 0.000 0.002 0.002 3 2 no 0.216 0 0
1 14 GLU QB 66 no 100.0 92.0 3.459 3.759 0.300 29 20 no 0.941 0 6
1 14 GLU QG 48 yes 75.0 83.1 0.788 0.948 0.160 35 24 no 0.773 0 5
1 16 HIS QB 171 no 95.0 77.2 0.157 0.203 0.046 5 3 no 0.010 0 0
1 17 LEU QB 42 no 45.0 39.8 0.021 0.053 0.032 36 24 no 0.622 0 2
1 17 LEU QD 6 no 85.0 71.9 7.049 9.800 2.750 63 25 yes 1.828 25 40
1 18 ARG QB 75 no 90.0 56.8 0.231 0.407 0.176 28 21 no 0.949 0 3
1 18 ARG QD 101 no 50.0 29.7 0.192 0.646 0.454 22 14 yes 1.443 2 7
1 18 ARG QG 117 yes 100.0 24.8 6.596 26.595 19.998 18 11 yes 4.719 20 38
1 19 GLU QB 131 no 100.0 96.0 1.910 1.990 0.080 15 9 no 0.469 0 0
1 19 GLU QG 74 no 100.0 92.1 1.410 1.530 0.121 28 21 no 0.232 0 0
1 20 LEU QB 102 no 90.0 99.6 0.015 0.015 0.000 21 8 no 0.065 0 0
1 20 LEU QD 12 yes 90.0 89.9 11.425 12.711 1.286 52 26 yes 1.748 4 34
1 21 TYR QB 199 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 22 LEU QB 56 no 70.0 17.3 0.082 0.473 0.392 33 20 no 0.283 0 0
1 22 LEU QD 38 no 100.0 75.7 7.667 10.130 2.463 38 26 no 0.791 0 4
1 24 ASN QB 96 no 90.0 45.6 0.203 0.445 0.242 23 15 no 0.153 0 0
1 24 ASN QD 84 no 30.0 12.1 0.008 0.070 0.061 25 12 no 0.271 0 0
1 25 LYS QB 69 no 90.0 99.9 0.119 0.119 0.000 28 12 no 0.028 0 0
1 25 LYS QD 220 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 25 LYS QE 168 no 95.0 99.1 0.030 0.031 0.000 5 2 no 0.507 0 1
1 25 LYS QG 109 no 100.0 97.7 0.589 0.603 0.014 20 9 no 0.354 0 0
1 26 ASP QB 140 no 65.0 18.0 0.081 0.449 0.368 13 8 no 0.103 0 0
1 27 VAL QG 43 yes 80.0 84.9 11.064 13.034 1.970 36 25 yes 1.861 10 33
1 28 GLU QG 145 no 15.0 99.5 0.086 0.087 0.000 11 7 no 0.253 0 0
1 29 GLY QA 125 no 100.0 2.3 0.113 4.863 4.750 16 9 yes 0.939 0 29
1 30 GLN QB 104 no 100.0 95.5 1.385 1.450 0.065 21 14 no 0.309 0 0
1 30 GLN QE 59 yes 80.0 30.2 0.977 3.237 2.261 33 23 yes 1.262 2 25
1 30 GLN QG 77 no 55.0 2.9 0.180 6.227 6.047 28 24 yes 2.179 40 54
1 31 ASP QB 58 yes 75.0 5.9 0.316 5.358 5.041 33 22 yes 1.981 9 39
1 32 VAL QG 7 no 100.0 99.5 31.500 31.664 0.164 61 19 no 0.582 0 3
1 33 VAL QG 30 no 60.0 6.1 0.278 4.529 4.251 41 23 yes 1.750 26 80
1 34 GLU QB 160 no 5.0 100.0 0.000 0.000 0.000 7 7 no 0.000 0 0
1 34 GLU QG 32 no 70.0 9.8 1.569 15.978 14.409 41 34 yes 4.371 57 73
1 36 ILE QG 88 no 80.0 70.3 1.322 1.880 0.558 25 14 yes 1.399 4 8
1 37 LEU QB 24 no 50.0 16.2 0.389 2.391 2.003 45 27 yes 1.412 15 30
1 37 LEU QD 14 no 100.0 83.4 11.141 13.362 2.220 52 39 yes 1.581 15 32
1 39 HIS QB 99 yes 100.0 90.1 0.213 0.236 0.023 22 7 no 0.359 0 0
1 40 LEU QB 27 yes 75.0 16.8 0.509 3.034 2.525 43 24 yes 1.354 1 25
1 40 LEU QD 28 no 65.0 60.6 2.561 4.228 1.667 42 25 yes 1.618 27 61
1 41 ASN QB 157 no 55.0 21.7 0.126 0.579 0.453 7 6 no 0.525 0 1
1 41 ASN QD 170 no 70.0 16.4 0.020 0.122 0.102 5 3 no 0.000 0 0
1 43 VAL QG 33 no 65.0 44.2 0.755 1.706 0.951 39 16 no 0.944 0 20
1 44 PRO QB 103 no 55.0 56.6 0.059 0.104 0.045 21 13 no 0.550 0 2
1 44 PRO QD 73 no 65.0 67.4 0.350 0.520 0.169 28 17 no 0.767 0 3
1 44 PRO QG 112 no 80.0 81.5 2.444 2.998 0.554 19 7 yes 1.827 6 8
1 45 ARG QB 198 no 95.0 1.7 0.000 0.002 0.002 2 2 no 0.000 0 0
1 45 ARG QD 25 no 60.0 3.3 0.281 8.456 8.174 44 21 yes 3.165 47 82
1 45 ARG QG 90 no 65.0 39.1 0.894 2.283 1.390 25 16 yes 1.601 9 23
1 47 ARG QB 166 no 60.0 55.4 0.021 0.038 0.017 6 5 no 0.000 0 0
1 47 ARG QD 148 no 90.0 89.2 0.818 0.916 0.099 10 8 no 0.627 0 3
1 47 ARG QG 119 no 60.0 34.0 0.119 0.350 0.231 18 17 no 0.164 0 0
1 48 LYS QB 115 no 30.0 92.8 0.020 0.021 0.002 18 8 no 0.086 0 0
1 48 LYS QD 165 no 75.0 39.6 0.079 0.201 0.121 6 5 no 0.783 0 3
1 48 LYS QE 156 no 95.0 97.4 0.970 0.996 0.026 7 4 no 0.509 0 1
1 48 LYS QG 46 no 95.0 87.6 1.196 1.366 0.170 35 19 no 0.895 0 4
1 49 GLN QB 149 no 55.0 99.2 0.072 0.072 0.001 10 10 no 0.000 0 0
1 49 GLN QE 129 no 85.0 86.4 0.206 0.238 0.032 15 6 no 0.655 0 1
1 49 GLN QG 100 yes 80.0 35.0 0.941 2.689 1.748 22 10 yes 1.244 5 36
1 50 ILE QG 121 no 70.0 30.3 0.006 0.020 0.014 17 13 no 0.418 0 0
1 51 ILE QG 62 no 95.0 41.0 0.711 1.734 1.023 30 14 yes 1.482 4 10
1 52 HIS QB 31 no 65.0 6.3 0.108 1.694 1.587 41 25 yes 1.467 17 25
1 53 HIS QB 18 no 90.0 14.3 0.159 1.110 0.951 49 39 yes 1.087 3 13
1 54 LEU QB 40 yes 85.0 16.9 0.191 1.129 0.938 37 21 yes 1.342 9 17
1 54 LEU QD 8 no 100.0 95.7 48.534 50.734 2.199 58 20 yes 1.717 12 33
1 55 VAL QG 21 no 95.0 90.3 2.572 2.848 0.276 47 20 no 0.876 0 1
1 56 GLN QB 49 no 95.0 42.1 3.116 7.403 4.286 34 17 yes 1.757 23 40
1 56 GLN QE 138 no 100.0 96.5 2.194 2.272 0.078 13 5 no 0.839 0 2
1 56 GLN QG 44 no 95.0 76.1 3.833 5.034 1.201 36 29 yes 1.890 4 25
1 57 MET QB 67 no 65.0 3.1 0.831 26.629 25.798 29 22 yes 5.241 20 23
1 57 MET QG 87 no 90.0 11.2 0.016 0.143 0.127 25 14 no 0.773 0 5
1 58 GLY QA 146 no 50.0 24.1 0.005 0.021 0.016 10 3 no 0.000 0 0
1 59 LEU QB 85 yes 100.0 67.9 2.145 3.158 1.013 25 13 yes 1.407 5 16
1 59 LEU QD 10 yes 95.0 79.0 8.579 10.856 2.277 56 37 yes 1.350 3 42
1 61 ASP QB 197 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.038 0 0
1 62 SER QB 39 yes 80.0 54.4 0.573 1.052 0.480 37 13 yes 1.535 3 7
1 63 VAL QG 26 yes 90.0 52.3 9.552 18.260 8.708 43 19 yes 3.988 39 73
1 64 LYS QB 70 no 80.0 20.6 0.682 3.314 2.632 28 13 yes 2.140 12 38
1 64 LYS QD 177 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 64 LYS QE 196 no 85.0 16.6 0.014 0.085 0.070 2 2 no 0.000 0 0
1 64 LYS QG 152 yes 80.0 28.4 0.212 0.748 0.536 8 6 yes 1.292 4 7
1 65 ASP QB 78 no 40.0 4.1 0.061 1.490 1.429 27 11 yes 2.157 5 28
1 66 PHE QB 80 no 70.0 72.2 0.234 0.324 0.090 27 13 no 0.045 0 0
1 67 GLN QB 65 no 90.0 48.2 3.080 6.395 3.315 29 17 yes 3.165 19 42
1 67 GLN QE 118 no 100.0 88.9 0.336 0.378 0.042 18 12 no 0.208 0 0
1 67 GLN QG 185 no 60.0 0.0 0.000 0.268 0.268 3 3 no 0.020 0 0
1 68 ARG QB 219 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 68 ARG QD 218 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 68 ARG QG 206 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 69 LYS QB 190 no 70.0 36.8 0.282 0.765 0.483 2 1 no 0.875 0 6
1 70 GLY QA 174 no 90.0 20.4 0.542 2.654 2.111 5 5 yes 1.133 5 16
1 72 HIS QB 60 no 50.0 2.2 1.243 56.229 54.987 32 22 yes 7.695 60 60
1 73 ILE QG 50 no 95.0 20.8 15.218 73.219 58.001 34 21 yes 8.982 24 58
1 74 VAL QG 19 no 55.0 27.5 4.847 17.628 12.781 48 31 yes 3.663 55 106
1 75 LEU QB 91 no 90.0 7.2 1.793 24.823 23.031 24 9 yes 6.803 13 16
1 75 LEU QD 137 no 70.0 38.3 0.169 0.441 0.272 14 11 yes 0.763 0 13
1 76 TRP QB 68 no 100.0 32.0 10.297 32.132 21.835 29 24 yes 3.485 48 55
1 78 GLY QA 182 no 100.0 99.4 0.226 0.228 0.001 3 2 no 0.000 0 0
1 79 ASP QB 147 no 65.0 0.2 0.009 3.967 3.959 10 4 yes 1.707 16 24
1 80 GLN QB 133 yes 90.0 24.3 0.400 1.643 1.244 15 11 no 0.935 0 3
1 80 GLN QE 123 no 50.0 6.7 0.379 5.678 5.299 16 6 yes 3.008 27 44
1 80 GLN QG 144 no 70.0 25.5 1.598 6.265 4.667 11 7 yes 2.854 20 25
1 81 GLU QB 130 no 55.0 15.4 8.512 55.308 46.796 15 9 yes 7.840 20 20
1 81 GLU QG 164 no 55.0 50.4 2.588 5.130 2.542 6 4 yes 3.933 12 16
1 82 LEU QB 86 yes 95.0 74.1 0.455 0.614 0.159 25 14 no 0.779 0 2
1 82 LEU QD 35 yes 75.0 45.0 10.734 23.868 13.134 39 25 yes 3.250 48 76
1 83 GLU QB 107 no 70.0 28.7 1.882 6.551 4.669 21 16 yes 2.190 20 33
1 83 GLU QG 98 no 50.0 3.2 0.051 1.584 1.533 23 23 no 0.974 0 7
1 84 LEU QB 34 no 85.0 18.5 0.340 1.839 1.499 39 25 yes 1.568 9 30
1 84 LEU QD 5 yes 85.0 21.7 2.044 9.443 7.398 68 51 yes 2.383 38 66
1 85 GLN QB 143 no 90.0 68.8 0.873 1.270 0.397 12 11 no 0.000 0 0
1 85 GLN QE 61 yes 75.0 2.6 9.353 363.687 354.334 32 24 yes 11.337 134 148
1 85 GLN QG 23 yes 75.0 15.0 6.682 44.472 37.790 46 32 yes 5.693 54 92
1 86 ARG QB 217 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 86 ARG QD 173 no 65.0 0.9 0.243 25.594 25.351 5 5 yes 4.965 20 20
1 86 ARG QG 72 no 100.0 52.3 0.630 1.205 0.575 28 17 no 0.025 0 0
1 87 LEU QB 81 yes 90.0 5.5 0.365 6.670 6.305 27 18 yes 2.324 35 41
1 87 LEU QD 53 yes 80.0 41.6 1.923 4.627 2.704 33 15 yes 1.987 12 44
1 88 PHE QB 37 yes 100.0 10.8 6.534 60.357 53.823 39 28 yes 5.883 49 62
1 89 GLU QB 82 no 100.0 54.6 1.697 3.109 1.412 27 19 yes 1.213 4 12
1 89 GLU QG 17 no 55.0 10.0 0.740 7.392 6.651 49 37 yes 2.203 56 114
1 90 GLU QB 110 no 90.0 66.2 0.449 0.678 0.229 20 13 yes 1.131 1 4
1 90 GLU QG 92 no 50.0 24.5 0.765 3.127 2.362 24 14 yes 1.068 1 17
1 91 PHE QB 132 no 30.0 45.8 0.033 0.073 0.039 15 10 no 0.117 0 0
1 92 ARG QB 47 no 40.0 23.4 0.070 0.297 0.228 35 24 yes 1.096 1 4
1 92 ARG QD 64 no 80.0 21.5 0.127 0.588 0.462 29 17 yes 1.550 2 5
1 92 ARG QG 51 no 60.0 1.5 0.027 1.787 1.761 34 23 yes 1.450 14 17
1 93 ASP QB 128 yes 80.0 47.3 0.241 0.509 0.268 15 6 no 0.306 0 0
1 94 SER QB 150 no 100.0 100.0 0.001 0.001 0.000 8 2 no 0.116 0 0
1 96 ASP QB 189 yes 100.0 100.0 0.195 0.195 0.000 2 1 no 0.000 0 0
1 97 VAL QG 9 no 90.0 70.2 10.474 14.911 4.436 56 34 yes 2.884 20 47
1 98 LEU QB 41 no 75.0 22.2 0.379 1.705 1.326 36 23 yes 1.550 6 17
1 98 LEU QD 20 yes 90.0 48.3 3.644 7.541 3.896 48 35 yes 1.733 11 49
1 99 GLY QA 161 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 100 HIS QB 127 no 100.0 100.0 0.348 0.348 0.000 15 5 no 0.000 0 0
1 102 MET QB 154 no 40.0 96.0 0.053 0.055 0.002 7 3 no 0.161 0 0
1 102 MET QG 63 no 70.0 35.7 0.856 2.395 1.539 29 15 yes 0.800 0 13
1 103 LYS QB 216 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 103 LYS QD 215 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 103 LYS QE 188 no 50.0 43.3 0.286 0.659 0.374 2 1 no 0.971 0 6
1 103 LYS QG 195 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 104 ASN QB 134 no 95.0 69.0 2.645 3.833 1.189 14 7 yes 1.189 5 22
1 105 ILE QG 54 no 100.0 17.2 3.571 20.767 17.197 33 17 yes 4.607 32 42
1 108 LYS QB 214 no 20.0 100.0 0.002 0.002 0.000 1 1 no 0.000 0 0
1 108 LYS QD 213 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 108 LYS QE 205 yes 75.0 86.1 0.971 1.127 0.156 1 0 yes 1.029 1 4
1 108 LYS QG 180 no 70.0 11.8 0.046 0.393 0.347 3 1 no 0.919 0 7
1 109 ARG QB 52 no 60.0 44.9 0.149 0.332 0.183 34 27 yes 1.191 1 2
1 109 ARG QD 22 no 65.0 12.4 0.611 4.919 4.308 46 28 yes 1.925 21 57
1 109 ARG QG 36 no 80.0 72.1 0.549 0.761 0.212 39 28 yes 1.295 2 4
1 110 SER QB 126 no 55.0 19.4 0.007 0.036 0.029 15 4 no 0.125 0 0
1 111 ARG QB 136 no 90.0 62.7 0.016 0.025 0.009 14 8 no 0.162 0 0
1 111 ARG QD 108 no 50.0 29.3 0.017 0.059 0.042 21 18 no 0.218 0 0
1 111 ARG QG 89 no 85.0 66.0 0.376 0.570 0.194 25 16 yes 1.156 1 1
1 113 ARG QB 163 no 65.0 58.0 0.330 0.569 0.239 6 4 yes 1.257 2 5
1 113 ARG QD 187 no 15.0 26.0 0.001 0.003 0.002 2 1 no 0.010 0 0
1 114 ILE QG 29 no 100.0 33.3 13.388 40.207 26.819 41 16 yes 5.125 39 58
1 115 VAL QG 11 no 75.0 12.5 1.518 12.160 10.643 55 34 yes 2.775 62 92
1 116 ASP QB 79 yes 100.0 31.3 4.702 15.026 10.324 27 13 yes 3.043 26 34
1 117 LYS QB 111 yes 100.0 39.1 18.320 46.884 28.564 20 16 yes 4.603 57 59
1 117 LYS QD 105 yes 80.0 14.7 8.513 58.070 49.557 21 15 yes 7.459 41 49
1 118 LEU QB 76 no 50.0 13.6 0.417 3.071 2.654 28 24 yes 1.975 17 30
1 118 LEU QD 4 no 65.0 45.8 2.052 4.481 2.430 69 45 yes 2.213 25 73
1 119 LEU QB 97 no 60.0 14.3 0.303 2.122 1.819 23 18 yes 1.872 14 28
1 119 LEU QD 2 yes 95.0 72.5 17.433 24.031 6.598 81 52 yes 2.230 35 94
1 121 LEU QB 95 no 100.0 18.8 33.644 179.334 145.689 23 15 yes 14.412 21 22
1 121 LEU QD 15 yes 85.0 53.1 31.224 58.760 27.536 51 35 yes 6.564 67 89
1 122 GLY QA 94 no 100.0 69.0 7.976 11.556 3.580 23 12 yes 2.066 17 36
1 123 LEU QB 57 no 100.0 96.2 3.393 3.525 0.132 33 21 no 0.274 0 0
1 123 LEU QD 3 yes 100.0 62.9 3.156 5.018 1.862 70 58 yes 1.364 5 49
1 124 VAL QG 1 yes 95.0 72.1 40.204 55.757 15.553 82 45 yes 4.933 105 169
1 126 GLU QB 55 no 90.0 29.4 0.600 2.039 1.440 33 18 yes 1.361 9 27
1 126 GLU QG 16 no 85.0 18.0 4.926 27.316 22.390 50 31 yes 8.567 20 25
1 127 ARG QB 151 no 25.0 55.7 0.004 0.007 0.003 8 6 no 0.000 0 0
1 127 ARG QD 113 no 55.0 46.8 1.110 2.373 1.262 19 15 yes 2.271 13 14
1 127 ARG QG 45 no 40.0 17.6 0.722 4.101 3.379 36 34 yes 2.105 26 46
1 128 ARG QB 181 no 60.0 26.3 0.042 0.159 0.117 3 2 no 0.000 0 0
1 128 ARG QD 194 yes 95.0 96.8 0.413 0.427 0.014 2 2 no 0.314 0 0
1 128 ARG QG 204 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 129 GLU QB 106 yes 90.0 70.2 1.141 1.625 0.483 21 16 yes 1.393 2 8
1 129 GLU QG 169 no 75.0 4.8 0.020 0.412 0.392 5 3 no 0.415 0 0
1 130 LEU QB 71 no 90.0 31.6 2.569 8.124 5.555 28 17 yes 2.319 42 66
1 130 LEU QD 13 no 75.0 10.4 1.905 18.350 16.445 52 30 yes 3.764 52 137
1 131 TYR QB 93 no 70.0 4.4 0.436 9.866 9.429 23 10 yes 4.437 24 36
1 132 LYS QB 179 no 15.0 60.7 0.001 0.001 0.000 3 1 no 0.072 0 0
1 132 LYS QD 212 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 132 LYS QG 167 no 80.0 26.3 0.028 0.105 0.077 5 2 no 0.178 0 0
1 133 LYS QB 153 no 100.0 100.0 0.015 0.015 0.000 7 3 no 0.541 0 1
1 133 LYS QE 193 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 133 LYS QG 192 no 100.0 100.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 134 ARG QD 191 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 134 ARG QG 203 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 135 GLN QB 141 no 55.0 29.6 0.261 0.881 0.620 12 5 yes 1.577 6 10
1 135 GLN QE 155 no 60.0 34.5 0.146 0.422 0.277 7 4 no 0.986 0 3
1 135 GLN QG 211 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 136 LYS QB 186 no 15.0 16.5 0.000 0.002 0.002 2 1 no 0.196 0 0
1 136 LYS QE 202 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 136 LYS QG 176 no 35.0 12.5 0.054 0.433 0.379 4 2 yes 1.613 3 3
1 137 LYS QB 201 no 25.0 23.9 0.000 0.002 0.002 1 0 no 0.129 0 0
1 137 LYS QD 210 no 20.0 65.4 0.010 0.015 0.005 1 1 no 0.241 0 0
1 138 LEU QB 172 no 100.0 16.4 0.001 0.005 0.004 5 5 no 0.241 0 0
1 138 LEU QD 120 no 45.0 0.4 0.136 35.595 35.459 17 13 yes 6.991 33 47
1 141 SER QB 209 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
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