NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
540079 |
2lf7   |
17741 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lf7
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 204
_Stereo_assign_list.Swap_count 77
_Stereo_assign_list.Swap_percentage 37.7
_Stereo_assign_list.Deassign_count 54
_Stereo_assign_list.Deassign_percentage 26.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 263.164
_Stereo_assign_list.Total_e_high_states 1655.702
_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 5 ARG QB 201 no 100.0 100.0 0.072 0.072 0.000 1 0 no 0.009 0 0
1 5 ARG QD 200 no 80.0 83.1 0.386 0.464 0.078 1 0 no 0.727 0 3
1 6 LEU QB 46 yes 100.0 95.8 0.387 0.404 0.017 26 14 no 0.199 0 0
1 6 LEU QD 12 no 100.0 95.8 26.816 27.979 1.162 43 21 yes 0.981 0 21
1 7 LEU QB 41 no 100.0 54.0 6.349 11.762 5.413 27 15 yes 1.449 20 38
1 7 LEU QD 2 no 100.0 78.1 36.792 47.131 10.339 62 31 no 0.365 0 0
1 8 TRP QB 36 yes 100.0 75.6 6.202 8.209 2.007 27 10 yes 1.329 4 4
1 9 ASP QB 135 no 40.0 33.0 0.104 0.316 0.212 10 5 no 0.444 0 0
1 10 TYR QB 45 no 100.0 99.3 1.341 1.350 0.009 26 12 no 0.028 0 0
1 10 TYR QD 87 no 100.0 99.9 39.469 39.490 0.021 18 9 no 0.466 0 0
1 10 TYR QE 91 no 100.0 99.9 62.199 62.253 0.053 18 11 no 0.237 0 0
1 11 VAL QG 4 no 100.0 99.6 30.684 30.807 0.124 57 27 no 0.376 0 0
1 12 TYR QB 34 yes 100.0 85.1 2.937 3.453 0.516 28 16 no 0.836 0 3
1 12 TYR QD 125 no 100.0 98.0 37.466 38.238 0.772 13 7 yes 1.659 4 4
1 12 TYR QE 115 no 100.0 99.3 37.451 37.718 0.267 14 4 no 0.051 0 0
1 13 GLN QB 151 no 90.0 95.9 1.528 1.594 0.066 6 4 no 0.630 0 2
1 13 GLN QE 83 no 100.0 90.7 0.593 0.654 0.061 19 11 no 0.416 0 0
1 13 GLN QG 150 no 90.0 73.3 0.388 0.529 0.141 6 4 no 0.853 0 4
1 14 LEU QB 85 no 100.0 97.2 0.515 0.530 0.015 18 7 no 0.142 0 0
1 14 LEU QD 3 no 100.0 99.5 23.970 24.080 0.110 58 30 no 0.416 0 0
1 15 LEU QB 52 yes 100.0 99.5 0.208 0.209 0.001 25 10 no 0.076 0 0
1 15 LEU QD 1 no 100.0 94.1 50.089 53.250 3.162 79 32 yes 2.895 9 21
1 16 SER QB 161 yes 80.0 45.5 0.474 1.042 0.568 4 1 yes 1.547 4 8
1 17 ASP QB 74 no 100.0 99.0 0.374 0.378 0.004 21 8 no 0.140 0 0
1 18 SER QB 137 no 40.0 1.0 0.037 3.741 3.704 9 2 yes 1.128 8 16
1 19 ARG QB 121 no 100.0 95.5 1.258 1.316 0.059 13 3 no 0.375 0 0
1 19 ARG QD 127 no 50.0 7.9 0.107 1.346 1.239 12 4 yes 1.321 10 10
1 19 ARG QG 158 no 70.0 95.2 1.308 1.374 0.066 4 0 yes 1.615 8 24
1 20 TYR QB 69 yes 100.0 68.8 8.242 11.972 3.730 22 13 no 0.125 0 0
1 20 TYR QD 99 no 100.0 99.2 61.835 62.320 0.485 17 11 yes 1.117 4 10
1 20 TYR QE 109 no 100.0 98.3 53.651 54.591 0.941 16 12 no 0.156 0 0
1 21 GLU QB 110 yes 95.0 94.1 2.519 2.676 0.157 15 2 yes 1.464 1 2
1 21 GLU QG 177 yes 85.0 98.2 2.972 3.026 0.053 3 2 no 0.562 0 3
1 22 ASN QB 112 yes 100.0 82.1 0.209 0.255 0.046 15 8 no 0.428 0 0
1 22 ASN QD 139 no 100.0 99.6 1.090 1.095 0.005 8 5 no 0.126 0 0
1 23 PHE QB 24 yes 100.0 98.1 1.756 1.790 0.034 31 14 no 0.113 0 0
1 23 PHE QD 114 yes 100.0 69.1 12.729 18.426 5.697 15 10 yes 1.470 2 2
1 23 PHE QE 144 yes 100.0 99.1 19.709 19.884 0.175 7 5 no 0.000 0 0
1 24 ILE QG 26 yes 100.0 26.9 1.953 7.265 5.313 30 16 yes 2.223 26 26
1 25 ARG QB 172 yes 100.0 85.0 0.704 0.829 0.125 3 1 no 0.000 0 0
1 25 ARG QD 171 yes 85.0 24.8 0.120 0.485 0.365 3 1 yes 1.147 2 4
1 25 ARG QG 157 yes 95.0 99.8 1.099 1.101 0.002 4 0 no 0.195 0 0
1 26 TRP QB 22 yes 100.0 88.6 1.233 1.391 0.158 32 13 no 0.099 0 0
1 27 GLU QB 44 no 100.0 99.1 2.324 2.344 0.020 26 10 no 0.173 0 0
1 27 GLU QG 131 no 35.0 74.4 0.067 0.090 0.023 11 5 no 0.257 0 0
1 28 ASP QB 51 no 100.0 95.3 0.957 1.004 0.047 25 10 no 0.264 0 0
1 29 LYS QB 63 no 100.0 82.8 1.114 1.345 0.231 23 11 no 0.187 0 0
1 29 LYS QD 170 yes 95.0 82.7 0.225 0.271 0.047 3 1 no 0.875 0 1
1 29 LYS QE 190 no 40.0 15.8 0.058 0.366 0.308 2 1 yes 1.136 1 4
1 29 LYS QG 16 no 55.0 11.2 0.201 1.796 1.594 34 15 yes 1.217 8 36
1 30 GLU QB 187 yes 100.0 100.0 1.264 1.264 0.000 2 0 no 0.000 0 0
1 30 GLU QG 189 no 55.0 50.0 0.258 0.516 0.258 2 1 yes 1.177 4 11
1 31 SER QB 29 no 100.0 92.2 1.333 1.445 0.112 29 12 no 0.264 0 0
1 32 LYS QB 37 yes 100.0 55.4 1.034 1.867 0.833 27 12 yes 1.900 4 11
1 32 LYS QD 156 yes 75.0 58.8 0.988 1.679 0.691 4 0 yes 1.729 5 5
1 32 LYS QE 204 no 30.0 5.0 0.000 0.005 0.005 1 1 no 0.188 0 0
1 32 LYS QG 56 yes 80.0 72.6 0.460 0.634 0.174 24 10 no 0.593 0 4
1 33 ILE QG 19 no 95.0 83.8 0.730 0.872 0.141 33 15 yes 1.064 1 3
1 34 PHE QB 11 no 100.0 86.0 2.662 3.096 0.433 44 20 yes 1.951 8 8
1 34 PHE QD 40 no 65.0 35.3 9.294 26.347 17.054 27 15 yes 3.047 146 188
1 34 PHE QE 72 no 35.0 6.2 1.013 16.346 15.333 22 17 yes 4.569 57 69
1 35 ARG QB 199 no 5.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 35 ARG QD 25 yes 100.0 90.6 1.941 2.142 0.202 31 22 no 0.309 0 0
1 35 ARG QG 38 yes 100.0 95.8 2.288 2.388 0.100 27 14 no 0.499 0 0
1 36 ILE QG 167 no 100.0 100.0 0.385 0.385 0.000 3 0 no 0.000 0 0
1 37 VAL QG 14 no 100.0 99.1 49.204 49.666 0.462 40 15 no 0.618 0 6
1 38 ASP QB 67 yes 100.0 54.6 3.966 7.271 3.304 22 10 yes 1.365 20 34
1 39 PRO QB 20 no 100.0 79.8 1.460 1.829 0.369 33 20 yes 2.219 1 2
1 39 PRO QD 21 yes 100.0 92.5 6.606 7.142 0.536 33 21 no 0.576 0 8
1 39 PRO QG 48 yes 100.0 99.4 7.667 7.714 0.047 26 19 no 0.219 0 0
1 40 ASN QB 81 yes 100.0 93.2 0.542 0.581 0.039 20 14 no 0.197 0 0
1 40 ASN QD 141 no 100.0 97.1 0.181 0.187 0.005 8 6 no 0.184 0 0
1 41 GLY QA 133 no 90.0 19.3 0.668 3.456 2.788 11 6 yes 1.336 2 4
1 42 LEU QB 50 no 100.0 21.6 0.386 1.786 1.400 25 10 no 0.085 0 0
1 42 LEU QD 17 no 100.0 99.8 15.025 15.057 0.032 34 20 no 0.327 0 0
1 44 ARG QB 101 yes 100.0 99.1 2.541 2.564 0.023 16 8 no 0.174 0 0
1 44 ARG QG 32 no 100.0 92.4 1.483 1.605 0.123 29 17 no 0.276 0 0
1 45 LEU QB 160 yes 100.0 100.0 2.726 2.726 0.000 4 1 no 0.059 0 0
1 45 LEU QD 10 no 100.0 75.1 19.697 26.227 6.530 45 29 no 0.312 0 0
1 46 TRP QB 43 yes 100.0 50.8 0.123 0.242 0.119 26 10 no 0.220 0 0
1 47 GLY QA 124 no 100.0 96.1 3.979 4.141 0.162 13 7 no 0.224 0 0
1 48 ASN QB 76 yes 100.0 95.0 1.053 1.108 0.055 21 13 no 0.276 0 0
1 48 ASN QD 62 no 100.0 97.2 1.647 1.695 0.048 23 11 no 0.207 0 0
1 49 HIS QB 134 no 100.0 99.6 1.751 1.758 0.008 10 3 no 0.104 0 0
1 50 LYS QB 59 yes 95.0 79.0 0.105 0.134 0.028 24 13 no 0.924 0 2
1 50 LYS QD 142 no 45.0 32.4 0.204 0.630 0.426 7 3 yes 1.444 2 10
1 50 LYS QE 71 yes 85.0 86.4 3.743 4.334 0.591 22 15 yes 1.299 4 10
1 50 LYS QG 33 no 60.0 44.7 0.188 0.421 0.233 28 15 no 0.782 0 8
1 51 ASN QB 107 no 50.0 47.8 0.086 0.180 0.094 16 10 no 0.424 0 0
1 51 ASN QD 145 no 85.0 100.0 0.061 0.061 0.000 7 6 no 0.000 0 0
1 52 ARG QB 96 yes 100.0 98.3 3.990 4.059 0.069 17 6 no 0.425 0 0
1 52 ARG QD 116 no 80.0 51.8 0.022 0.042 0.020 14 6 no 0.425 0 0
1 52 ARG QG 155 yes 100.0 99.9 1.171 1.172 0.001 4 0 no 0.075 0 0
1 54 ASN QB 176 no 60.0 56.9 0.038 0.067 0.029 3 2 no 0.777 0 1
1 54 ASN QD 149 no 100.0 93.7 0.266 0.284 0.018 6 4 no 0.284 0 0
1 55 MET QB 86 no 100.0 91.0 1.508 1.658 0.150 18 9 no 0.276 0 0
1 55 MET QG 152 no 60.0 90.3 0.233 0.258 0.025 5 3 no 0.297 0 0
1 57 TYR QB 54 yes 100.0 41.8 0.746 1.784 1.038 25 13 no 0.107 0 0
1 57 TYR QD 61 yes 100.0 98.7 43.854 44.451 0.596 23 9 no 0.093 0 0
1 57 TYR QE 122 yes 100.0 99.8 20.870 20.912 0.042 13 5 no 0.254 0 0
1 58 GLU QB 129 yes 100.0 89.3 0.228 0.255 0.027 11 2 no 0.249 0 0
1 58 GLU QG 198 yes 80.0 76.2 0.475 0.624 0.149 1 0 no 0.943 0 4
1 59 LYS QD 186 yes 100.0 100.0 0.510 0.510 0.000 2 0 no 0.000 0 0
1 59 LYS QE 185 no 45.0 28.0 0.015 0.053 0.038 2 0 no 0.573 0 1
1 59 LYS QG 77 no 95.0 68.5 0.090 0.131 0.041 20 4 no 0.405 0 0
1 60 MET QB 30 no 100.0 47.3 7.534 15.915 8.381 29 14 no 0.077 0 0
1 60 MET QG 175 no 45.0 67.0 0.014 0.021 0.007 3 2 no 0.323 0 0
1 61 SER QB 166 no 70.0 47.5 0.092 0.193 0.101 3 0 yes 0.529 0 14
1 62 ARG QB 184 no 65.0 60.0 0.649 1.083 0.434 2 0 yes 1.141 13 26
1 62 ARG QD 197 no 40.0 84.3 0.441 0.523 0.082 1 0 no 0.927 0 1
1 62 ARG QG 70 no 40.0 53.5 0.192 0.360 0.167 22 15 no 0.993 0 9
1 64 LEU QB 68 yes 100.0 58.7 1.878 3.200 1.322 22 11 no 0.103 0 0
1 64 LEU QD 6 no 100.0 78.1 32.385 41.440 9.055 46 22 no 0.536 0 1
1 65 ARG QB 196 yes 100.0 100.0 0.288 0.288 0.000 1 0 no 0.000 0 0
1 65 ARG QD 90 no 65.0 9.7 1.026 10.593 9.567 18 11 no 0.892 0 2
1 65 ARG QG 42 no 60.0 10.7 0.066 0.612 0.546 27 20 yes 1.193 1 18
1 66 HIS QB 79 no 100.0 95.8 0.262 0.273 0.011 20 9 no 0.090 0 0
1 67 TYR QB 5 yes 100.0 64.4 5.520 8.577 3.057 47 19 yes 1.025 1 21
1 67 TYR QD 80 yes 100.0 100.0 44.123 44.142 0.019 20 12 no 0.292 0 0
1 67 TYR QE 58 yes 100.0 75.6 37.832 50.039 12.207 24 13 no 0.266 0 0
1 68 TYR QB 130 yes 100.0 97.4 1.426 1.464 0.037 11 3 no 0.225 0 0
1 68 TYR QD 105 yes 100.0 84.9 37.372 44.010 6.638 16 9 no 0.892 0 2
1 68 TYR QE 111 yes 100.0 99.9 49.464 49.492 0.028 15 6 no 0.424 0 0
1 69 LYS QB 183 yes 100.0 100.0 0.512 0.512 0.000 2 0 no 0.000 0 0
1 69 LYS QD 182 no 100.0 100.0 0.225 0.225 0.000 2 0 no 0.000 0 0
1 69 LYS QE 181 no 85.0 29.2 0.021 0.072 0.051 2 0 no 0.372 0 0
1 69 LYS QG 94 yes 100.0 99.6 0.392 0.393 0.002 17 2 no 0.066 0 0
1 70 LEU QB 57 yes 100.0 61.1 3.092 5.060 1.967 24 12 yes 1.260 20 20
1 70 LEU QD 8 no 100.0 72.2 38.076 52.717 14.640 46 25 no 0.212 0 0
1 71 ASN QB 118 yes 90.0 95.7 2.401 2.508 0.107 14 8 no 0.656 0 2
1 71 ASN QD 126 no 100.0 98.4 2.066 2.099 0.034 13 9 no 0.386 0 0
1 72 ILE QG 180 yes 100.0 100.0 0.929 0.929 0.000 2 0 no 0.045 0 0
1 73 ILE QG 165 yes 100.0 100.0 0.999 0.999 0.000 3 0 no 0.000 0 0
1 74 ARG QB 104 no 100.0 79.8 5.351 6.708 1.357 16 9 no 0.850 0 1
1 74 ARG QD 103 no 95.0 92.9 0.995 1.070 0.076 16 9 no 0.850 0 2
1 74 ARG QG 35 yes 100.0 96.1 3.126 3.252 0.126 28 17 no 0.535 0 1
1 75 LYS QB 119 yes 100.0 77.4 6.753 8.725 1.972 14 9 yes 0.770 0 17
1 75 LYS QD 92 no 75.0 9.0 0.070 0.774 0.704 18 12 no 0.238 0 0
1 75 LYS QE 65 no 60.0 9.0 0.111 1.233 1.122 23 14 yes 0.853 0 24
1 75 LYS QG 55 no 100.0 63.1 2.686 4.256 1.569 25 21 yes 2.061 1 5
1 76 GLU QB 106 no 20.0 26.8 0.090 0.335 0.245 16 10 no 0.439 0 0
1 76 GLU QG 100 yes 80.0 79.5 5.256 6.611 1.355 16 8 yes 1.838 8 10
1 77 PRO QB 123 no 100.0 80.2 0.827 1.031 0.204 13 7 no 0.293 0 0
1 77 PRO QD 82 no 100.0 87.6 1.577 1.800 0.224 20 15 no 0.293 0 0
1 77 PRO QG 140 no 100.0 92.7 0.199 0.215 0.016 8 6 no 0.151 0 0
1 78 GLY QA 162 yes 100.0 76.2 2.064 2.709 0.645 4 2 no 0.035 0 0
1 79 GLN QB 66 no 100.0 98.2 0.230 0.234 0.004 22 9 no 0.191 0 0
1 79 GLN QE 108 no 100.0 65.6 0.608 0.926 0.318 16 12 yes 1.144 1 1
1 79 GLN QG 169 yes 100.0 100.0 1.036 1.036 0.000 3 1 no 0.035 0 0
1 80 ARG QB 164 no 75.0 73.5 0.087 0.118 0.031 3 0 no 0.392 0 0
1 80 ARG QD 188 no 75.0 81.2 0.089 0.110 0.021 2 1 no 0.395 0 0
1 80 ARG QG 174 yes 80.0 55.7 0.198 0.356 0.158 3 2 no 0.869 0 2
1 81 LEU QB 73 yes 100.0 21.4 0.486 2.272 1.786 21 7 no 0.099 0 0
1 81 LEU QD 13 no 100.0 77.1 21.675 28.117 6.442 41 21 yes 1.543 22 24
1 82 LEU QB 53 no 100.0 95.8 3.475 3.627 0.153 25 13 no 0.915 0 1
1 82 LEU QD 7 no 100.0 92.4 20.051 21.698 1.647 46 23 yes 1.128 3 6
1 83 PHE QB 18 no 100.0 97.9 2.635 2.692 0.058 33 12 no 0.534 0 4
1 83 PHE QD 78 no 90.0 88.1 74.203 84.226 10.022 20 7 yes 3.958 23 28
1 83 PHE QE 27 no 90.0 90.3 71.782 79.504 7.723 30 18 yes 3.537 29 32
1 84 ARG QB 179 yes 90.0 90.3 0.275 0.304 0.030 2 0 no 0.347 0 0
1 84 ARG QD 89 no 55.0 24.5 0.109 0.447 0.338 18 11 no 0.798 0 1
1 84 ARG QG 84 yes 100.0 74.3 3.512 4.725 1.213 19 12 no 0.535 0 1
1 84 ARG QH1 203 yes 90.0 99.9 0.320 0.320 0.000 1 1 no 0.074 0 0
1 84 ARG QH2 195 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 85 PHE QB 15 no 100.0 73.9 1.055 1.428 0.373 40 19 no 0.432 0 0
1 85 PHE QD 64 no 80.0 72.0 38.327 53.237 14.909 23 14 yes 5.264 49 60
1 85 PHE QE 102 no 80.0 76.8 32.562 42.423 9.862 16 9 yes 4.005 28 32
1 86 MET QB 194 yes 100.0 99.8 2.421 2.425 0.005 1 0 no 0.129 0 0
1 86 MET QG 168 yes 100.0 100.0 1.096 1.096 0.000 3 1 no 0.053 0 0
1 87 LYS QB 28 no 90.0 33.4 0.463 1.387 0.924 29 9 yes 2.059 5 7
1 87 LYS QD 60 no 90.0 70.4 0.469 0.666 0.198 24 17 no 0.586 0 4
1 87 LYS QE 202 no 75.0 73.3 0.138 0.188 0.050 1 1 no 0.584 0 3
1 87 LYS QG 193 no 90.0 13.8 0.001 0.007 0.006 1 0 no 0.368 0 0
1 89 PRO QB 95 yes 100.0 98.5 0.598 0.607 0.009 17 5 no 0.154 0 0
1 89 PRO QD 163 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 89 PRO QG 31 yes 100.0 51.2 3.834 7.494 3.660 29 16 yes 2.583 8 12
1 90 ASP QB 146 no 100.0 99.6 0.318 0.320 0.001 6 0 no 0.081 0 0
1 91 GLU QB 49 yes 100.0 99.2 2.654 2.676 0.021 25 9 no 0.249 0 0
1 91 GLU QG 192 no 100.0 100.0 0.001 0.001 0.000 1 0 no 0.112 0 0
1 92 ILE QG 23 no 100.0 99.1 3.542 3.576 0.034 31 9 no 0.189 0 0
1 93 MET QB 136 no 100.0 99.5 3.367 3.383 0.015 9 2 no 0.183 0 0
1 93 MET QG 93 no 100.0 87.1 0.526 0.604 0.078 17 2 no 0.346 0 0
1 94 SER QB 178 no 60.0 14.9 0.022 0.149 0.127 2 0 no 0.549 0 8
1 95 GLY QA 154 no 100.0 99.8 0.199 0.200 0.000 4 0 no 0.075 0 0
1 96 ARG QB 39 no 100.0 83.8 3.130 3.733 0.603 27 15 no 0.992 0 7
1 96 ARG QD 143 no 40.0 16.0 0.106 0.667 0.560 7 4 yes 1.188 3 5
1 96 ARG QG 128 no 85.0 70.9 1.004 1.416 0.412 12 7 yes 1.051 1 15
1 98 ASP QB 159 no 85.0 91.7 0.815 0.889 0.073 4 1 no 0.630 0 2
1 99 ARG QB 117 no 100.0 98.7 0.528 0.535 0.007 14 8 no 0.159 0 0
1 99 ARG QD 191 no 85.0 52.5 0.006 0.012 0.006 2 2 no 0.199 0 0
1 99 ARG QG 97 no 100.0 96.2 1.408 1.463 0.056 17 8 no 0.334 0 0
1 100 LEU QB 88 yes 95.0 91.3 0.818 0.895 0.078 18 10 no 0.764 0 1
1 100 LEU QD 9 no 95.0 35.7 8.336 23.352 15.017 45 28 yes 2.193 5 8
1 101 GLU QB 173 no 95.0 92.6 0.642 0.693 0.051 3 2 no 0.522 0 1
1 101 GLU QG 147 yes 85.0 62.1 0.340 0.548 0.208 6 3 yes 1.105 1 8
1 102 HIS QB 120 no 45.0 27.0 0.395 1.462 1.067 13 3 yes 1.767 9 9
1 103 LEU QB 113 no 95.0 93.8 0.510 0.544 0.034 15 9 no 0.493 0 0
1 103 LEU QD 47 no 95.0 93.1 15.138 16.264 1.127 26 18 yes 2.763 4 6
1 104 GLU QB 98 yes 95.0 86.2 0.177 0.206 0.028 17 9 no 0.397 0 0
1 104 GLU QG 75 yes 90.0 58.0 0.232 0.400 0.168 21 13 no 0.397 0 0
1 105 SER QB 153 no 80.0 15.9 0.076 0.479 0.403 4 0 yes 1.276 1 18
1 106 GLN QB 132 yes 100.0 95.9 0.457 0.476 0.020 11 6 no 0.324 0 0
1 106 GLN QE 138 yes 100.0 99.6 0.624 0.627 0.003 8 3 no 0.164 0 0
1 106 GLN QG 148 no 50.0 7.4 0.017 0.227 0.211 6 4 yes 0.838 0 10
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