NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441768 |
2kbb   |
15457 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kbb
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 227
_Stereo_assign_list.Swap_count 16
_Stereo_assign_list.Swap_percentage 7.0
_Stereo_assign_list.Deassign_count 34
_Stereo_assign_list.Deassign_percentage 15.0
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 26.365
_Stereo_assign_list.Total_e_high_states 430.331
_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 ILE QG 211 no 35.0 67.0 0.225 0.335 0.111 3 0 yes 1.367 1 2
1 3 ASP QB 205 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 4 PRO QB 170 no 30.0 100.0 0.008 0.008 0.000 10 7 no 0.000 0 0
1 4 PRO QD 156 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 4 PRO QG 159 no 80.0 80.8 0.390 0.483 0.093 12 9 no 0.143 0 0
1 5 PHE QB 182 no 15.0 60.6 0.000 0.001 0.000 8 0 no 0.050 0 0
1 8 PRO QB 97 no 100.0 99.9 2.363 2.366 0.003 18 10 no 0.112 0 0
1 8 PRO QD 96 no 100.0 99.9 0.244 0.244 0.000 18 8 no 0.030 0 0
1 8 PRO QG 141 no 5.0 100.0 0.000 0.000 0.000 13 7 no 0.000 0 0
1 9 GLY QA 79 no 100.0 100.0 2.596 2.596 0.001 20 7 no 0.081 0 0
1 10 GLN QB 208 no 90.0 99.6 1.472 1.477 0.005 4 2 no 0.227 0 0
1 10 GLN QE 68 no 70.0 73.6 1.048 1.423 0.375 22 15 yes 1.319 2 10
1 10 GLN QG 101 yes 95.0 98.6 2.222 2.253 0.031 17 6 no 0.543 0 1
1 11 LEU QB 145 no 100.0 99.9 0.547 0.547 0.001 12 2 no 0.064 0 0
1 11 LEU QD 189 yes 90.0 94.7 0.978 1.033 0.054 7 4 no 0.675 0 2
1 12 GLU QB 45 no 100.0 99.9 0.408 0.408 0.000 25 14 no 0.080 0 0
1 12 GLU QG 125 no 60.0 74.2 0.472 0.636 0.164 15 10 yes 1.310 7 11
1 13 CYS QB 19 no 100.0 96.3 0.440 0.457 0.017 36 23 no 0.377 0 0
1 14 GLU QB 110 no 90.0 94.0 1.452 1.544 0.092 16 7 no 0.702 0 1
1 14 GLU QG 227 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 17 ILE QG 35 no 100.0 99.9 1.643 1.645 0.002 27 9 no 0.084 0 0
1 20 LEU QB 34 no 100.0 100.0 0.165 0.165 0.000 28 14 no 0.000 0 0
1 20 LEU QD 1 no 100.0 99.5 14.153 14.225 0.072 83 21 no 0.240 0 0
1 21 ASN QB 44 no 100.0 97.4 0.238 0.245 0.006 25 13 no 0.124 0 0
1 21 ASN QD 107 no 100.0 99.9 1.778 1.779 0.002 17 8 no 0.077 0 0
1 22 SER QB 144 no 25.0 1.2 0.000 0.006 0.006 12 2 no 0.124 0 0
1 23 CYS QB 216 no 40.0 43.6 0.199 0.457 0.257 3 1 yes 1.168 6 8
1 24 LEU QB 63 no 100.0 99.9 0.454 0.455 0.000 22 11 no 0.071 0 0
1 24 LEU QD 11 no 100.0 99.2 13.475 13.578 0.103 43 27 no 0.859 0 3
1 25 ARG QB 201 no 70.0 70.0 0.355 0.508 0.153 5 3 no 0.598 0 7
1 25 ARG QG 149 no 45.0 46.8 0.003 0.007 0.004 12 3 no 0.272 0 0
1 26 ASP QB 134 no 85.0 100.0 0.067 0.067 0.000 13 2 no 0.000 0 0
1 27 LEU QB 62 no 100.0 100.0 0.068 0.068 0.000 22 11 no 0.000 0 0
1 27 LEU QD 6 no 100.0 100.0 19.049 19.053 0.004 51 20 no 0.164 0 0
1 28 ASP QB 162 no 85.0 73.3 0.163 0.223 0.059 11 2 no 0.565 0 2
1 29 GLN QB 142 no 85.0 67.5 0.603 0.894 0.290 13 8 no 0.568 0 1
1 29 GLN QE 197 no 90.0 6.2 0.014 0.224 0.210 6 6 no 0.058 0 0
1 29 GLN QG 132 no 90.0 62.4 0.060 0.095 0.036 14 10 no 0.799 0 1
1 31 SER QB 105 no 85.0 99.6 0.151 0.152 0.001 17 7 no 0.093 0 0
1 32 LEU QB 92 no 85.0 41.6 0.059 0.143 0.084 18 5 no 0.958 0 1
1 32 LEU QD 123 no 90.0 91.1 6.637 7.286 0.648 15 9 yes 1.776 4 8
1 35 VAL QG 99 no 85.0 75.4 4.063 5.387 1.324 17 0 yes 2.484 6 11
1 37 GLN QB 207 no 85.0 81.2 1.227 1.511 0.284 4 2 yes 1.244 3 8
1 37 GLN QG 173 no 75.0 57.9 0.235 0.405 0.170 9 2 no 0.596 0 8
1 38 GLN QB 104 no 100.0 100.0 0.733 0.733 0.000 17 7 no 0.029 0 0
1 38 GLN QG 122 no 90.0 88.4 0.200 0.227 0.026 15 6 no 0.630 0 1
1 39 LEU QB 90 no 35.0 99.9 0.295 0.296 0.000 18 2 no 0.078 0 0
1 39 LEU QD 50 no 60.0 26.7 0.518 1.942 1.423 24 8 yes 1.809 4 27
1 41 PRO QB 185 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 41 PRO QD 151 no 65.0 100.0 0.010 0.010 0.000 12 4 no 0.000 0 0
1 41 PRO QG 225 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 42 ARG QB 217 no 75.0 64.1 0.012 0.019 0.007 3 2 no 0.433 0 0
1 42 ARG QG 226 no 95.0 100.0 0.018 0.018 0.000 1 1 no 0.433 0 0
1 43 GLU QB 165 no 100.0 100.0 0.002 0.002 0.000 11 6 no 0.152 0 0
1 43 GLU QG 164 no 45.0 10.0 0.059 0.584 0.526 11 6 yes 1.712 3 8
1 45 ILE QG 53 no 85.0 79.5 0.447 0.563 0.115 23 4 no 0.925 0 3
1 46 SER QB 117 no 25.0 87.2 0.030 0.035 0.004 15 1 no 0.258 0 0
1 47 GLN QB 166 no 40.0 100.0 0.021 0.021 0.000 11 7 no 0.000 0 0
1 47 GLN QE 86 yes 90.0 50.8 2.122 4.179 2.058 19 8 yes 1.157 2 2
1 47 GLN QG 187 no 90.0 92.9 2.342 2.520 0.179 8 5 yes 1.028 1 5
1 48 GLU QB 140 no 35.0 34.5 0.030 0.087 0.057 13 6 no 0.549 0 2
1 48 GLU QG 186 no 35.0 98.4 0.052 0.053 0.001 8 5 no 0.123 0 0
1 50 LEU QB 136 no 95.0 88.4 0.023 0.026 0.003 13 4 no 0.211 0 0
1 50 LEU QD 4 no 100.0 99.8 16.975 17.006 0.031 52 19 no 0.668 0 1
1 51 HIS QB 135 no 50.0 10.3 0.006 0.058 0.052 13 4 no 0.614 0 1
1 53 GLN QB 103 no 100.0 99.0 1.709 1.726 0.017 17 7 no 0.198 0 0
1 53 GLN QE 143 no 65.0 67.5 0.082 0.121 0.039 13 10 no 0.925 0 3
1 53 GLN QG 114 no 85.0 99.2 0.132 0.133 0.001 16 10 no 0.097 0 0
1 54 MET QB 67 no 100.0 99.9 0.234 0.234 0.000 22 15 no 0.046 0 0
1 54 MET QG 57 no 75.0 53.1 0.266 0.501 0.235 23 11 no 0.462 0 0
1 55 LEU QB 39 no 100.0 99.3 3.029 3.050 0.021 26 10 no 0.133 0 0
1 55 LEU QD 37 no 90.0 87.4 3.050 3.490 0.439 27 16 yes 1.466 3 10
1 58 VAL QG 23 no 90.0 95.8 5.195 5.421 0.226 34 17 yes 1.039 2 5
1 59 GLN QB 81 no 45.0 0.4 0.000 0.098 0.097 20 10 no 0.537 0 1
1 59 GLN QE 158 no 95.0 92.9 0.612 0.659 0.047 12 9 no 0.926 0 1
1 59 GLN QG 89 no 80.0 56.1 0.179 0.320 0.141 19 13 no 0.474 0 0
1 60 GLU QB 109 no 100.0 100.0 0.437 0.437 0.000 16 5 no 0.000 0 0
1 60 GLU QG 78 no 100.0 100.0 0.251 0.252 0.000 20 6 no 0.024 0 0
1 61 ILE QG 31 no 100.0 100.0 0.616 0.616 0.000 29 8 no 0.005 0 0
1 62 SER QB 49 no 100.0 95.4 0.814 0.853 0.039 24 8 no 0.474 0 0
1 63 HIS QB 133 no 20.0 100.0 0.003 0.003 0.000 13 0 no 0.000 0 0
1 64 LEU QB 60 no 100.0 96.2 0.259 0.269 0.010 22 8 no 0.112 0 0
1 64 LEU QD 26 no 100.0 99.8 15.198 15.224 0.026 33 15 no 0.182 0 0
1 65 ILE QG 215 no 95.0 100.0 0.031 0.031 0.000 3 1 no 0.000 0 0
1 66 GLU QB 87 no 100.0 100.0 0.379 0.379 0.000 19 12 no 0.000 0 0
1 66 GLU QG 113 no 15.0 68.4 0.011 0.016 0.005 16 9 no 0.250 0 0
1 67 PRO QB 75 no 55.0 97.5 0.266 0.273 0.007 21 16 no 0.289 0 0
1 67 PRO QD 24 no 100.0 100.0 0.551 0.551 0.000 34 18 no 0.000 0 0
1 67 PRO QG 59 no 100.0 99.1 2.200 2.221 0.021 23 14 no 0.182 0 0
1 68 LEU QB 72 no 100.0 100.0 0.212 0.212 0.000 21 9 no 0.000 0 0
1 68 LEU QD 10 no 100.0 100.0 13.732 13.734 0.003 47 21 no 0.095 0 0
1 70 SER QB 119 no 30.0 19.0 0.022 0.116 0.094 15 3 no 0.813 0 4
1 73 ARG QB 200 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 73 ARG QD 121 no 20.0 100.0 0.007 0.007 0.000 15 6 no 0.006 0 0
1 73 ARG QG 43 no 80.0 65.8 0.328 0.499 0.171 25 12 no 0.832 0 4
1 75 GLU QB 116 no 95.0 74.4 0.287 0.386 0.099 15 0 yes 1.146 1 3
1 75 GLU QG 224 no 35.0 88.2 0.090 0.103 0.012 1 0 no 0.367 0 0
1 78 GLN QB 74 no 40.0 73.7 0.082 0.111 0.029 21 15 no 0.907 0 3
1 78 GLN QE 179 no 100.0 86.8 0.005 0.006 0.001 9 7 no 0.223 0 0
1 78 GLN QG 69 no 95.0 67.9 0.227 0.334 0.107 22 17 no 0.907 0 3
1 79 LEU QB 55 yes 90.0 85.9 1.447 1.684 0.238 23 8 no 0.815 0 3
1 79 LEU QD 14 no 100.0 100.0 17.121 17.124 0.003 41 19 no 0.387 0 0
1 80 GLY QA 58 no 100.0 100.0 0.948 0.948 0.000 23 14 no 0.024 0 0
1 81 HIS QB 130 no 75.0 65.4 0.496 0.759 0.263 14 5 no 0.935 0 7
1 82 LYS QB 38 no 100.0 99.7 1.174 1.178 0.004 27 17 no 0.103 0 0
1 82 LYS QD 124 no 100.0 99.9 1.155 1.156 0.001 15 10 no 0.055 0 0
1 82 LYS QE 83 no 85.0 94.2 1.904 2.022 0.118 20 18 no 0.815 0 4
1 82 LYS QG 65 no 80.0 75.2 0.463 0.616 0.153 22 13 no 0.935 0 4
1 83 VAL QG 13 no 100.0 100.0 12.532 12.532 0.001 41 17 no 0.058 0 0
1 84 SER QB 148 no 50.0 79.8 0.151 0.189 0.038 12 3 no 0.458 0 0
1 85 GLN QB 98 no 100.0 100.0 0.536 0.536 0.000 18 13 no 0.010 0 0
1 85 GLN QE 160 no 90.0 13.9 0.002 0.017 0.014 12 11 no 0.535 0 1
1 85 GLN QG 115 no 100.0 100.0 0.394 0.394 0.000 16 12 no 0.018 0 0
1 86 MET QB 77 yes 100.0 100.0 1.231 1.231 0.000 20 6 no 0.050 0 0
1 86 MET QG 112 no 100.0 99.6 3.558 3.571 0.013 16 9 no 0.112 0 0
1 88 GLN QB 138 no 55.0 85.3 0.280 0.329 0.048 13 5 no 0.598 0 2
1 88 GLN QE 155 no 100.0 99.7 2.145 2.150 0.006 12 8 no 0.204 0 0
1 88 GLN QG 61 no 80.0 81.6 0.366 0.449 0.083 22 10 no 0.870 0 2
1 89 TYR QB 56 no 15.0 100.0 0.000 0.000 0.000 23 9 no 0.000 0 0
1 90 PHE QB 76 no 100.0 100.0 0.770 0.770 0.000 20 5 no 0.000 0 0
1 91 GLU QB 177 no 100.0 100.0 1.850 1.850 0.000 9 5 no 0.000 0 0
1 91 GLU QG 126 no 100.0 99.6 0.115 0.116 0.000 15 11 no 0.074 0 0
1 92 PRO QB 111 yes 100.0 95.6 0.363 0.380 0.017 16 9 no 0.153 0 0
1 92 PRO QD 40 no 100.0 100.0 0.480 0.480 0.000 26 13 no 0.000 0 0
1 92 PRO QG 131 no 100.0 100.0 0.330 0.330 0.000 14 8 no 0.006 0 0
1 93 LEU QB 94 no 95.0 99.4 1.320 1.328 0.008 18 7 no 0.000 0 0
1 93 LEU QD 18 no 95.0 94.5 14.385 15.219 0.834 37 18 yes 1.901 6 11
1 95 LEU QB 128 no 100.0 100.0 1.460 1.460 0.000 14 3 no 0.020 0 0
1 95 LEU QD 153 no 100.0 100.0 1.853 1.853 0.000 12 6 no 0.422 0 0
1 98 VAL QG 21 yes 100.0 99.7 4.884 4.898 0.015 34 10 no 0.173 0 0
1 99 GLY QA 214 no 100.0 100.0 0.691 0.691 0.000 3 1 no 0.012 0 0
1 103 LYS QB 73 no 65.0 41.0 1.893 4.611 2.718 21 11 yes 2.993 26 38
1 103 LYS QD 88 no 35.0 31.4 0.097 0.309 0.212 19 13 no 0.404 0 0
1 103 LYS QE 190 no 95.0 93.5 2.414 2.583 0.169 6 2 yes 1.415 1 2
1 103 LYS QG 46 no 60.0 45.4 0.319 0.704 0.384 25 15 yes 1.139 2 8
1 105 LEU QB 169 no 70.0 30.8 0.039 0.126 0.087 10 3 no 0.403 0 0
1 105 LEU QD 172 no 55.0 27.7 0.158 0.572 0.414 9 2 yes 0.968 0 11
1 106 SER QB 181 no 30.0 0.2 0.001 0.474 0.472 8 0 yes 1.535 5 5
1 108 PRO QB 157 no 100.0 100.0 0.065 0.065 0.000 12 9 no 0.558 0 2
1 108 PRO QD 180 no 100.0 0.0 0.000 0.000 0.000 9 8 no 0.000 0 0
1 108 PRO QG 168 no 100.0 0.0 0.000 0.000 0.000 11 9 no 0.000 0 0
1 109 GLN QB 218 no 20.0 73.9 0.031 0.041 0.011 2 1 no 0.153 0 0
1 109 GLN QE 223 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 110 GLN QB 42 no 75.0 2.5 0.001 0.033 0.032 25 12 no 0.598 0 1
1 110 GLN QE 167 no 40.0 35.1 0.006 0.018 0.012 11 8 no 0.322 0 0
1 110 GLN QG 80 no 75.0 41.5 0.140 0.336 0.197 20 10 yes 1.368 1 2
1 111 MET QB 147 yes 100.0 100.0 0.185 0.185 0.000 12 3 no 0.000 0 0
1 111 MET QG 137 no 70.0 90.2 0.244 0.270 0.027 13 5 yes 1.012 1 9
1 113 LEU QB 100 no 95.0 78.4 1.605 2.048 0.443 17 6 no 0.773 0 1
1 113 LEU QD 22 no 95.0 98.3 5.663 5.763 0.100 34 12 no 0.686 0 2
1 114 LEU QB 106 yes 100.0 97.5 0.115 0.118 0.003 17 8 no 0.103 0 0
1 114 LEU QD 15 no 100.0 99.9 17.819 17.828 0.009 40 17 no 0.126 0 0
1 115 ASP QB 161 no 100.0 100.0 0.240 0.240 0.000 11 1 no 0.000 0 0
1 116 GLN QB 120 no 100.0 100.0 0.042 0.042 0.000 15 5 no 0.000 0 0
1 116 GLN QE 154 no 15.0 78.1 0.106 0.135 0.030 12 7 no 0.763 0 1
1 116 GLN QG 85 no 100.0 99.8 1.170 1.172 0.002 19 8 no 0.077 0 0
1 118 LYS QB 36 yes 100.0 98.4 2.451 2.491 0.039 27 12 no 0.231 0 0
1 118 LYS QD 204 no 85.0 95.6 0.516 0.540 0.024 4 1 no 0.512 0 1
1 118 LYS QE 210 no 50.0 38.8 0.051 0.130 0.080 4 4 no 0.859 0 2
1 118 LYS QG 29 no 100.0 97.5 0.279 0.287 0.007 31 18 no 0.120 0 0
1 120 LEU QB 54 no 100.0 99.6 1.275 1.280 0.005 23 8 no 0.000 0 0
1 120 LEU QD 2 no 100.0 99.8 17.356 17.382 0.026 53 20 no 0.666 0 1
1 122 GLU QB 82 no 100.0 100.0 1.071 1.071 0.000 20 11 no 0.000 0 0
1 122 GLU QG 41 no 100.0 99.9 0.595 0.596 0.001 26 15 no 0.046 0 0
1 123 SER QB 51 no 25.0 47.1 0.240 0.510 0.270 24 9 yes 0.732 0 11
1 125 LEU QB 176 no 100.0 100.0 0.218 0.218 0.000 9 4 no 0.008 0 0
1 125 LEU QD 3 no 100.0 99.9 9.532 9.541 0.008 53 23 no 0.155 0 0
1 126 GLN QB 219 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 126 GLN QE 194 no 25.0 55.7 0.012 0.022 0.010 6 3 no 0.254 0 0
1 126 GLN QG 91 no 100.0 99.9 0.269 0.269 0.000 18 5 no 0.049 0 0
1 127 LEU QB 32 no 100.0 100.0 1.532 1.533 0.000 29 13 no 0.049 0 0
1 127 LEU QD 7 no 100.0 98.7 11.265 11.411 0.146 50 24 no 0.937 0 5
1 128 LEU QB 27 no 100.0 100.0 0.665 0.665 0.000 32 14 no 0.000 0 0
1 128 LEU QD 9 no 100.0 100.0 12.915 12.918 0.004 47 20 no 0.105 0 0
1 129 TYR QB 118 no 100.0 100.0 0.417 0.417 0.000 15 2 no 0.000 0 0
1 132 LYS QB 28 yes 95.0 98.8 0.160 0.162 0.002 32 18 no 0.196 0 0
1 132 LYS QD 30 no 100.0 89.0 3.006 3.378 0.372 31 20 no 0.192 0 0
1 132 LYS QE 47 no 75.0 69.6 0.562 0.808 0.246 25 17 yes 1.288 2 4
1 132 LYS QG 33 no 85.0 34.7 0.585 1.688 1.103 29 19 yes 1.574 5 24
1 133 GLU QB 183 no 90.0 98.0 3.702 3.776 0.074 8 1 no 0.818 0 2
1 133 GLU QG 213 no 70.0 9.9 0.042 0.428 0.386 3 1 yes 1.190 5 9
1 135 GLY QA 93 no 100.0 0.0 0.000 0.002 0.002 18 7 no 0.149 0 0
1 136 GLY QA 203 no 100.0 100.0 0.538 0.538 0.000 4 0 no 0.048 0 0
1 137 ASN QB 66 no 55.0 85.0 0.101 0.119 0.018 22 15 no 0.179 0 0
1 137 ASN QD 196 yes 85.0 69.7 0.581 0.833 0.252 6 5 no 0.975 0 3
1 138 PRO QB 129 no 100.0 100.0 0.146 0.146 0.000 14 5 no 0.005 0 0
1 138 PRO QD 52 no 5.0 100.0 0.000 0.000 0.000 24 10 no 0.000 0 0
1 138 PRO QG 202 no 85.0 100.0 1.027 1.027 0.000 4 0 no 0.024 0 0
1 139 LYS QB 108 yes 75.0 72.7 0.712 0.980 0.267 16 5 yes 1.380 3 3
1 139 LYS QE 222 no 15.0 88.6 0.011 0.013 0.001 1 0 no 0.135 0 0
1 139 LYS QG 150 no 30.0 30.5 0.011 0.035 0.024 12 4 no 0.476 0 0
1 140 GLN QB 64 no 45.0 18.3 0.104 0.569 0.465 22 13 yes 1.475 3 10
1 140 GLN QE 209 no 5.0 48.3 0.001 0.001 0.001 4 4 no 0.270 0 0
1 140 GLN QG 178 no 100.0 0.0 0.000 0.000 0.000 9 6 no 0.000 0 0
1 145 GLN QB 127 no 100.0 99.3 1.425 1.435 0.010 14 2 no 0.190 0 0
1 145 GLN QE 188 no 55.0 30.7 0.070 0.228 0.158 7 0 yes 1.162 2 7
1 145 GLN QG 206 yes 100.0 99.9 0.280 0.280 0.000 4 2 no 0.055 0 0
1 146 GLU QB 199 no 95.0 93.1 1.868 2.007 0.139 5 1 yes 1.376 1 3
1 146 GLU QG 171 no 65.0 78.4 0.295 0.376 0.081 9 2 yes 1.136 3 9
1 148 LEU QB 48 no 100.0 96.1 1.702 1.771 0.069 24 7 no 0.123 0 0
1 148 LEU QD 25 no 75.0 64.5 2.562 3.974 1.411 33 13 yes 1.894 7 33
1 149 GLU QB 152 no 30.0 87.0 0.469 0.539 0.070 12 6 yes 1.700 4 5
1 149 GLU QG 174 no 25.0 39.1 0.012 0.030 0.018 9 3 no 0.375 0 0
1 150 GLU QB 193 no 70.0 46.7 0.079 0.170 0.090 6 3 no 0.557 0 6
1 150 GLU QG 184 no 50.0 16.9 0.108 0.640 0.532 8 3 no 0.279 0 0
1 152 VAL QG 12 no 100.0 99.8 10.432 10.452 0.020 41 14 no 0.188 0 0
1 153 GLN QB 192 no 90.0 88.8 0.568 0.640 0.072 6 3 no 0.837 0 2
1 153 GLN QE 195 no 100.0 0.6 0.003 0.539 0.536 6 4 no 0.260 0 0
1 154 MET QB 139 no 40.0 94.3 0.378 0.401 0.023 13 6 no 0.408 0 0
1 154 MET QG 163 no 90.0 67.9 0.026 0.039 0.012 11 5 no 0.446 0 0
1 155 MET QB 20 no 100.0 98.7 1.716 1.739 0.023 35 18 no 0.373 0 0
1 155 MET QG 17 no 100.0 94.0 2.145 2.282 0.137 37 18 no 0.333 0 0
1 157 GLU QB 191 no 100.0 100.0 0.001 0.001 0.000 6 3 no 0.095 0 0
1 157 GLU QG 146 no 90.0 87.3 0.400 0.459 0.058 12 3 no 0.893 0 1
1 159 VAL QG 8 no 100.0 99.3 17.343 17.459 0.116 49 22 no 0.373 0 0
1 160 GLU QB 212 no 95.0 94.7 0.228 0.241 0.013 3 1 no 0.386 0 0
1 160 GLU QG 221 no 100.0 100.0 0.021 0.021 0.000 1 0 no 0.628 0 1
1 161 ASP QB 70 no 30.0 49.3 0.051 0.103 0.052 21 8 no 0.323 0 0
1 162 LEU QB 102 no 100.0 100.0 0.594 0.594 0.000 17 7 no 0.000 0 0
1 162 LEU QD 16 no 100.0 99.9 6.482 6.489 0.008 37 11 no 0.115 0 0
1 166 LEU QB 71 yes 100.0 93.9 0.672 0.715 0.043 21 9 no 0.213 0 0
1 166 LEU QD 5 no 100.0 99.8 17.083 17.110 0.028 52 22 no 0.281 0 0
1 167 ASN QB 84 no 100.0 99.6 1.349 1.354 0.005 19 8 no 0.133 0 0
1 167 ASN QD 95 yes 95.0 93.0 0.953 1.024 0.071 18 8 no 0.614 0 3
1 168 GLU QB 198 no 100.0 100.0 1.529 1.529 0.000 5 1 no 0.000 0 0
1 168 GLU QG 175 no 55.0 36.1 0.297 0.822 0.526 9 4 yes 1.165 8 9
1 171 SER QB 220 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
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