NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396133 |
1s6i   |
6104 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1s6i
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 202
_Stereo_assign_list.Swap_count 26
_Stereo_assign_list.Swap_percentage 12.9
_Stereo_assign_list.Deassign_count 56
_Stereo_assign_list.Deassign_percentage 27.7
_Stereo_assign_list.Model_count 15
_Stereo_assign_list.Total_e_low_states 85.803
_Stereo_assign_list.Total_e_high_states 246.060
_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 8 GLU QB 143 no 13.3 55.2 0.003 0.006 0.002 11 7 no 0.193 0 0
1 8 GLU QG 166 no 13.3 51.5 0.062 0.121 0.059 7 4 no 0.701 0 1
1 9 ILE QG 133 no 40.0 27.0 0.002 0.007 0.005 12 3 no 0.228 0 0
1 10 GLY QA 191 no 73.3 90.1 1.133 1.257 0.125 3 3 no 0.000 0 0
1 12 LEU QB 112 yes 86.7 68.4 1.881 2.751 0.870 17 12 yes 2.325 4 8
1 12 LEU QD 81 no 60.0 86.9 0.062 0.071 0.009 22 13 no 0.600 0 2
1 13 LYS QB 98 no 66.7 78.0 2.114 2.710 0.596 20 17 no 0.592 0 2
1 13 LYS QD 195 no 13.3 100.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 13 LYS QG 155 no 73.3 17.1 0.011 0.062 0.051 9 7 no 0.403 0 0
1 14 GLU QB 138 no 53.3 99.6 0.082 0.083 0.000 12 10 no 0.211 0 0
1 14 GLU QG 153 no 26.7 76.7 0.353 0.460 0.107 9 6 yes 1.004 1 8
1 15 LEU QB 16 no 100.0 80.1 0.645 0.806 0.160 42 30 no 0.600 0 1
1 15 LEU QD 49 no 86.7 98.2 1.583 1.612 0.030 29 14 no 0.387 0 0
1 16 PHE QB 30 no 100.0 71.2 3.403 4.779 1.375 35 16 no 0.592 0 1
1 17 LYS QB 74 yes 100.0 80.7 2.245 2.780 0.535 24 20 no 0.136 0 0
1 17 LYS QD 115 no 86.7 45.4 0.098 0.216 0.118 16 12 no 0.110 0 0
1 17 LYS QE 162 yes 86.7 67.6 0.132 0.196 0.063 8 7 no 0.957 0 1
1 17 LYS QG 57 no 86.7 66.9 0.208 0.311 0.103 27 18 yes 0.688 0 19
1 18 MET QB 36 no 66.7 28.3 0.381 1.345 0.964 33 19 yes 1.585 11 12
1 18 MET QG 140 no 53.3 44.7 0.066 0.147 0.082 11 4 no 0.652 0 3
1 19 ILE QG 3 no 60.0 56.3 1.092 1.939 0.848 49 26 yes 1.698 9 18
1 20 ASP QB 17 no 66.7 40.5 0.787 1.942 1.155 41 20 yes 1.459 8 10
1 22 ASP QB 149 no 86.7 40.2 0.040 0.098 0.059 10 8 no 0.297 0 0
1 23 ASN QB 68 no 73.3 68.3 0.463 0.678 0.215 24 13 no 0.711 0 2
1 23 ASN QD 161 no 26.7 24.0 0.045 0.189 0.143 8 6 yes 1.317 1 2
1 24 SER QB 118 no 100.0 21.8 0.000 0.000 0.000 15 4 no 0.000 0 0
1 25 GLY QA 117 yes 100.0 98.6 0.293 0.297 0.004 15 4 no 0.166 0 0
1 27 ILE QG 11 no 100.0 96.6 6.152 6.368 0.216 43 15 yes 1.064 1 3
1 29 PHE QB 90 no 100.0 97.1 4.336 4.465 0.129 20 6 no 0.403 0 0
1 30 ASP QB 73 yes 86.7 78.3 0.102 0.130 0.028 24 19 no 0.610 0 1
1 31 GLU QB 19 no 100.0 97.4 2.828 2.903 0.075 40 23 no 0.531 0 1
1 31 GLU QG 20 no 73.3 65.4 0.256 0.392 0.136 39 25 no 0.531 0 1
1 32 LEU QB 29 no 100.0 95.1 2.342 2.461 0.120 36 22 no 0.802 0 2
1 32 LEU QD 15 no 93.3 96.1 0.637 0.662 0.026 42 20 no 0.371 0 0
1 33 LYS QB 1 no 100.0 82.0 1.331 1.622 0.292 50 39 yes 1.293 1 6
1 33 LYS QD 46 no 93.3 92.3 1.483 1.607 0.124 31 19 yes 1.131 1 1
1 33 LYS QE 51 no 66.7 54.9 0.742 1.352 0.610 29 21 yes 1.174 1 8
1 33 LYS QG 55 no 60.0 71.1 1.457 2.050 0.593 27 14 yes 1.036 1 4
1 34 ASP QB 53 no 33.3 49.3 0.231 0.468 0.237 28 21 yes 1.476 3 3
1 35 GLY QA 6 no 100.0 93.8 1.622 1.730 0.108 46 24 no 0.533 0 1
1 36 LEU QB 14 no 80.0 79.9 2.207 2.761 0.555 43 28 yes 1.284 1 7
1 36 LEU QD 70 no 66.7 31.0 0.951 3.067 2.115 24 15 yes 2.615 9 13
1 37 LYS QB 156 no 66.7 27.0 0.057 0.211 0.154 9 8 no 0.491 0 0
1 37 LYS QD 121 no 73.3 56.2 0.294 0.523 0.229 15 10 yes 1.228 3 8
1 37 LYS QE 165 yes 80.0 52.7 1.520 2.882 1.362 7 4 yes 1.051 1 1
1 37 LYS QG 69 no 33.3 37.0 0.017 0.046 0.029 24 14 no 0.351 0 0
1 38 ARG QB 72 no 100.0 66.2 0.243 0.366 0.124 24 17 no 0.491 0 0
1 38 ARG QD 142 no 60.0 21.1 0.107 0.509 0.402 11 7 no 0.630 0 2
1 38 ARG QG 105 no 26.7 99.9 0.027 0.027 0.000 18 12 no 0.020 0 0
1 39 VAL QG 32 no 46.7 50.4 0.564 1.120 0.556 35 19 yes 1.092 5 28
1 40 GLY QA 123 no 80.0 75.4 0.084 0.111 0.027 14 4 no 0.012 0 0
1 41 SER QB 44 yes 80.0 51.2 0.549 1.073 0.524 31 15 no 0.679 0 3
1 42 GLU QB 139 no 60.0 80.1 0.077 0.096 0.019 11 4 no 0.215 0 0
1 42 GLU QG 164 no 93.3 69.2 0.052 0.075 0.023 7 4 no 0.679 0 2
1 43 LEU QB 26 no 66.7 47.4 0.777 1.638 0.861 37 25 no 0.998 0 17
1 43 LEU QD 13 yes 86.7 98.1 2.734 2.786 0.053 43 25 no 0.593 0 2
1 44 MET QB 113 yes 80.0 53.0 0.276 0.520 0.244 16 10 no 0.752 0 7
1 44 MET QG 109 no 60.0 49.2 0.127 0.258 0.131 17 8 no 0.837 0 8
1 45 GLU QB 131 no 93.3 94.6 0.118 0.124 0.007 13 8 no 0.318 0 0
1 45 GLU QG 137 no 53.3 61.1 1.244 2.035 0.791 12 9 no 0.546 0 1
1 46 SER QB 150 no 86.7 30.3 0.018 0.061 0.042 9 3 no 0.458 0 0
1 47 GLU QB 18 no 100.0 89.0 2.502 2.813 0.310 41 25 yes 1.038 2 6
1 47 GLU QG 100 no 73.3 44.7 0.311 0.695 0.384 19 13 no 0.752 0 11
1 48 ILE QG 7 no 100.0 29.0 6.747 23.243 16.497 45 24 yes 4.061 22 24
1 49 LYS QB 9 no 100.0 71.0 1.339 1.886 0.547 44 28 no 0.209 0 0
1 49 LYS QD 61 no 66.7 39.0 0.246 0.630 0.385 25 13 yes 1.397 3 4
1 49 LYS QE 132 no 46.7 31.5 0.109 0.346 0.237 13 11 yes 1.304 2 5
1 49 LYS QG 43 no 100.0 89.5 0.365 0.408 0.043 32 21 no 0.286 0 0
1 50 ASP QB 41 no 100.0 98.3 0.501 0.509 0.009 32 16 no 0.207 0 0
1 51 LEU QB 45 yes 86.7 90.2 0.565 0.627 0.062 31 17 no 0.617 0 1
1 51 LEU QD 40 no 40.0 7.7 0.113 1.475 1.362 32 15 yes 1.894 6 13
1 52 MET QB 23 no 73.3 66.9 1.907 2.851 0.945 38 20 yes 1.740 2 17
1 52 MET QG 10 yes 80.0 20.2 0.255 1.263 1.008 44 29 yes 1.113 2 9
1 53 ASP QB 63 no 86.7 79.7 0.081 0.102 0.021 25 15 no 0.326 0 0
1 56 ASP QB 2 no 100.0 46.9 11.524 24.565 13.041 49 25 yes 4.809 15 18
1 57 ILE QG 27 no 80.0 67.1 2.079 3.099 1.021 36 17 yes 1.390 2 5
1 58 ASP QB 92 yes 93.3 80.9 0.478 0.591 0.113 20 9 no 0.455 0 0
1 59 LYS QB 124 no 60.0 55.7 0.272 0.487 0.216 14 10 no 0.567 0 6
1 59 LYS QD 114 no 60.0 77.6 0.297 0.383 0.086 16 12 no 0.455 0 0
1 59 LYS QE 177 no 40.0 41.9 0.012 0.028 0.016 6 5 no 0.352 0 0
1 59 LYS QG 47 no 60.0 18.8 0.220 1.174 0.954 31 20 no 0.725 0 12
1 60 SER QB 130 no 100.0 94.5 0.253 0.268 0.015 13 6 no 0.421 0 0
1 61 GLY QA 85 yes 80.0 97.8 0.380 0.389 0.009 21 8 no 0.333 0 0
1 63 ILE QG 8 yes 93.3 84.3 2.307 2.735 0.428 44 17 yes 1.675 2 3
1 64 ASP QB 91 no 86.7 33.1 0.052 0.157 0.105 20 8 no 0.461 0 0
1 65 TYR QB 108 no 100.0 100.0 0.030 0.030 0.000 17 5 no 0.243 0 0
1 66 GLY QA 60 yes 100.0 80.7 0.432 0.535 0.103 25 12 no 0.357 0 0
1 67 GLU QB 38 no 100.0 100.0 4.764 4.765 0.000 32 12 no 0.000 0 0
1 67 GLU QG 12 no 100.0 92.6 1.531 1.653 0.122 43 21 no 0.189 0 0
1 68 PHE QB 21 no 73.3 49.6 2.017 4.065 2.048 38 15 yes 1.413 2 6
1 69 ILE QG 89 no 66.7 20.8 0.147 0.706 0.560 20 6 yes 1.639 5 6
1 73 VAL QG 52 no 73.3 86.5 3.454 3.994 0.540 28 9 yes 1.666 2 7
1 74 HIS QB 67 no 60.0 12.3 0.317 2.573 2.256 24 13 yes 3.367 6 15
1 75 LEU QB 147 no 73.3 60.3 0.625 1.037 0.412 10 4 yes 1.572 3 4
1 75 LEU QD 99 no 53.3 22.3 0.447 2.009 1.561 19 12 yes 1.931 5 14
1 76 ASN QB 163 no 73.3 26.5 0.021 0.079 0.058 7 2 no 0.675 0 1
1 77 LYS QB 199 no 6.7 100.0 0.002 0.002 0.000 1 0 no 0.000 0 0
1 77 LYS QD 198 no 26.7 51.5 0.086 0.166 0.081 2 2 no 0.473 0 0
1 77 LYS QG 174 no 46.7 61.4 1.646 2.683 1.036 6 3 yes 2.396 1 2
1 78 LEU QB 179 no 86.7 43.0 0.002 0.006 0.003 5 3 no 0.312 0 0
1 78 LEU QD 185 no 73.3 13.7 0.000 0.003 0.003 4 3 no 0.194 0 0
1 79 GLU QB 184 no 93.3 84.6 0.002 0.002 0.000 4 3 no 0.193 0 0
1 79 GLU QG 197 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 80 ARG QB 202 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 80 ARG QD 201 no 13.3 100.0 0.001 0.001 0.000 1 1 no 0.000 0 0
1 80 ARG QG 200 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 84 LEU QB 171 no 46.7 18.7 0.053 0.284 0.231 6 1 yes 1.194 1 4
1 84 LEU QD 136 no 66.7 61.5 1.002 1.630 0.628 12 8 yes 2.602 6 10
1 85 VAL QG 127 no 66.7 57.9 0.200 0.346 0.146 13 5 no 0.786 0 4
1 86 SER QB 187 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 88 PHE QB 54 no 46.7 54.3 0.337 0.621 0.284 27 5 yes 1.324 2 3
1 89 SER QB 146 no 93.3 71.5 0.578 0.808 0.230 10 2 no 0.793 0 6
1 90 TYR QB 106 no 100.0 97.7 0.291 0.298 0.007 17 3 no 0.152 0 0
1 91 PHE QB 84 no 40.0 19.7 0.006 0.029 0.023 21 7 no 0.355 0 0
1 92 ASP QB 42 no 93.3 74.7 3.321 4.443 1.122 32 17 no 0.793 0 10
1 93 LYS QB 119 no 93.3 94.7 2.104 2.221 0.117 15 8 no 0.989 0 3
1 93 LYS QD 169 no 13.3 100.0 0.000 0.000 0.000 7 5 no 0.000 0 0
1 93 LYS QE 152 no 60.0 29.2 0.207 0.710 0.503 9 6 yes 1.454 2 5
1 93 LYS QG 103 no 86.7 96.1 1.045 1.087 0.042 18 9 no 0.787 0 1
1 94 ASP QB 141 no 93.3 83.1 0.436 0.525 0.089 11 7 no 0.989 0 2
1 95 GLY QA 158 no 100.0 99.0 2.444 2.469 0.025 8 1 no 0.272 0 0
1 96 SER QB 126 yes 86.7 66.2 0.156 0.236 0.080 13 4 no 0.933 0 1
1 97 GLY QA 107 yes 100.0 97.4 2.034 2.089 0.055 17 5 no 0.345 0 0
1 98 TYR QB 102 no 20.0 27.3 0.217 0.792 0.576 18 8 no 0.750 0 3
1 99 ILE QG 5 no 100.0 94.3 5.441 5.769 0.328 48 12 no 0.169 0 0
1 101 LEU QB 96 no 100.0 98.5 0.574 0.582 0.009 20 13 no 0.149 0 0
1 101 LEU QD 59 no 100.0 99.9 3.609 3.613 0.005 26 15 no 0.067 0 0
1 102 ASP QB 79 no 93.3 100.0 0.007 0.007 0.000 23 17 no 0.000 0 0
1 103 GLU QB 65 no 100.0 99.9 1.563 1.565 0.001 24 11 no 0.076 0 0
1 103 GLU QG 77 no 100.0 98.2 0.184 0.188 0.003 23 14 no 0.183 0 0
1 104 ILE QG 34 yes 80.0 92.4 1.722 1.863 0.141 34 15 no 0.804 0 3
1 105 GLN QB 62 no 100.0 99.3 2.269 2.284 0.015 25 14 no 0.406 0 0
1 105 GLN QE 56 no 66.7 39.5 0.497 1.258 0.762 27 18 yes 1.316 6 6
1 105 GLN QG 25 no 93.3 95.2 0.279 0.293 0.014 37 19 no 0.363 0 0
1 106 GLN QB 125 yes 86.7 82.7 1.120 1.354 0.234 14 13 yes 1.179 2 3
1 106 GLN QE 190 no 100.0 100.0 0.000 0.000 0.000 3 3 no 0.211 0 0
1 106 GLN QG 145 no 93.3 97.8 0.032 0.032 0.001 11 8 no 0.382 0 0
1 108 CYS QB 116 no 66.7 53.9 0.602 1.118 0.515 15 4 yes 1.757 8 9
1 110 ASP QB 173 no 100.0 100.0 0.000 0.000 0.000 6 3 no 0.001 0 0
1 111 PHE QB 88 no 53.3 62.8 1.253 1.994 0.741 20 6 yes 1.802 9 15
1 112 GLY QA 194 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 113 LEU QB 95 yes 86.7 20.6 0.142 0.687 0.545 20 12 yes 1.407 1 1
1 113 LEU QD 66 no 66.7 51.3 0.438 0.853 0.415 24 13 yes 1.716 3 7
1 114 ASP QB 134 yes 93.3 83.7 0.251 0.300 0.049 12 7 no 0.851 0 1
1 115 ASP QB 170 no 33.3 23.6 0.000 0.001 0.001 7 6 no 0.088 0 0
1 116 ILE QG 93 no 53.3 6.8 0.051 0.751 0.699 20 10 no 0.851 0 2
1 117 HIS QB 148 no 46.7 34.7 0.114 0.328 0.214 10 8 no 0.749 0 2
1 118 ILE QG 78 no 40.0 20.3 0.115 0.564 0.450 23 16 yes 1.564 1 1
1 119 ASP QB 80 no 26.7 53.4 0.054 0.101 0.047 23 19 no 0.397 0 0
1 120 ASP QB 97 no 33.3 59.8 0.020 0.034 0.014 20 14 no 0.327 0 0
1 121 MET QB 86 no 60.0 24.1 0.049 0.205 0.155 21 9 no 0.840 0 3
1 121 MET QG 35 no 66.7 13.1 0.227 1.728 1.501 34 20 yes 1.791 13 18
1 122 ILE QG 31 no 100.0 30.9 0.421 1.362 0.941 35 19 no 0.976 0 3
1 123 LYS QB 82 no 100.0 99.2 1.411 1.423 0.011 22 15 no 0.148 0 0
1 123 LYS QD 157 no 20.0 3.8 0.000 0.002 0.002 9 9 no 0.128 0 0
1 123 LYS QE 160 yes 86.7 80.4 1.231 1.531 0.299 8 5 yes 1.505 2 3
1 123 LYS QG 104 no 73.3 86.9 0.159 0.183 0.024 18 11 no 0.311 0 0
1 124 GLU QB 64 no 100.0 99.6 0.646 0.649 0.003 25 19 no 0.035 0 0
1 124 GLU QG 129 no 100.0 98.1 0.323 0.329 0.006 13 6 no 0.141 0 0
1 125 ILE QG 22 no 66.7 18.1 0.195 1.075 0.880 38 20 yes 1.324 8 9
1 126 ASP QB 39 no 93.3 72.2 0.259 0.359 0.100 32 15 no 0.442 0 0
1 127 GLN QB 76 no 86.7 66.0 0.097 0.147 0.050 23 14 no 0.564 0 2
1 127 GLN QE 111 no 80.0 96.9 1.295 1.336 0.041 17 10 no 0.487 0 0
1 127 GLN QG 94 no 40.0 96.0 0.413 0.430 0.017 20 12 no 0.445 0 0
1 128 ASP QB 144 no 46.7 71.6 0.434 0.606 0.172 11 8 yes 1.186 1 2
1 129 ASN QB 110 no 100.0 47.4 0.001 0.002 0.001 17 9 no 0.190 0 0
1 129 ASN QD 120 no 40.0 30.5 0.206 0.677 0.471 15 10 no 0.257 0 0
1 130 ASP QB 135 no 93.3 89.4 0.061 0.068 0.007 12 8 no 0.591 0 1
1 131 GLY QA 75 no 100.0 99.8 1.739 1.742 0.003 23 9 no 0.114 0 0
1 132 GLN QB 50 no 40.0 28.1 0.258 0.918 0.660 29 21 yes 1.504 6 11
1 132 GLN QE 71 yes 86.7 88.2 0.299 0.339 0.040 24 17 no 0.336 0 0
1 132 GLN QG 24 no 86.7 75.2 1.785 2.373 0.588 38 29 yes 1.610 3 9
1 133 ILE QG 37 no 100.0 86.6 2.072 2.393 0.321 32 9 yes 1.048 1 6
1 134 ASP QB 28 no 66.7 42.7 1.209 2.833 1.623 36 19 yes 2.566 9 33
1 135 TYR QB 83 yes 100.0 97.6 2.172 2.225 0.053 21 7 no 0.222 0 0
1 136 GLY QA 101 no 40.0 8.1 0.040 0.490 0.451 18 7 no 0.375 0 0
1 137 GLU QB 4 no 100.0 97.1 2.059 2.121 0.062 49 28 no 0.744 0 1
1 137 GLU QG 33 no 93.3 68.9 0.768 1.115 0.346 35 23 no 0.627 0 2
1 138 PHE QB 48 no 100.0 46.1 0.557 1.208 0.650 30 5 no 0.271 0 0
1 141 MET QB 87 yes 93.3 98.4 1.463 1.487 0.023 21 11 no 0.177 0 0
1 141 MET QG 58 no 53.3 36.2 0.012 0.032 0.020 26 13 no 0.477 0 0
1 143 ARG QB 128 yes 80.0 94.2 0.629 0.668 0.039 13 6 no 0.601 0 1
1 143 ARG QD 175 no 66.7 60.4 0.162 0.268 0.106 6 4 yes 1.291 1 7
1 143 ARG QG 193 no 6.7 100.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 144 LYS QB 172 no 80.0 84.9 0.545 0.642 0.097 6 3 no 0.976 0 2
1 144 LYS QE 196 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 144 LYS QG 178 no 100.0 77.3 0.008 0.011 0.002 5 2 no 0.390 0 0
1 147 GLY QA 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 148 ASN QB 181 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 149 GLY QA 188 no 53.3 100.0 0.077 0.077 0.000 3 2 no 0.000 0 0
1 150 GLY QA 189 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 151 ILE QG 151 no 53.3 27.2 0.052 0.191 0.139 9 4 no 0.740 0 4
1 152 GLY QA 183 no 53.3 60.6 0.190 0.314 0.124 4 3 no 0.740 0 4
1 153 ARG QB 122 no 60.0 21.8 0.235 1.079 0.844 15 13 no 0.875 0 3
1 153 ARG QD 176 no 73.3 40.3 0.021 0.053 0.032 6 5 no 0.213 0 0
1 153 ARG QG 168 no 33.3 12.7 0.019 0.147 0.128 7 5 yes 1.091 1 2
1 154 ARG QB 154 no 40.0 40.5 0.004 0.010 0.006 9 7 no 0.164 0 0
1 154 ARG QD 182 no 20.0 55.8 0.008 0.014 0.006 4 3 no 0.213 0 0
1 154 ARG QG 186 no 93.3 65.7 0.011 0.016 0.006 4 4 no 0.185 0 0
1 157 ARG QB 159 no 100.0 100.0 0.043 0.043 0.000 8 5 no 0.800 0 1
1 157 ARG QD 180 no 6.7 89.1 0.000 0.000 0.000 5 4 no 0.025 0 0
1 157 ARG QG 167 no 46.7 71.6 0.439 0.614 0.175 7 5 no 0.562 0 1
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