NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
570172 |
2mbs   |
19413 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mbs
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 205
_Stereo_assign_list.Swap_count 85
_Stereo_assign_list.Swap_percentage 41.5
_Stereo_assign_list.Deassign_count 62
_Stereo_assign_list.Deassign_percentage 30.2
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 185.649
_Stereo_assign_list.Total_e_high_states 806.833
_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 ASN QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 4 GLN QB 184 no 70.0 64.8 0.006 0.009 0.003 4 0 no 0.142 0 0
1 5 ILE QG 155 no 50.0 73.2 0.014 0.019 0.005 7 0 no 0.087 0 0
1 7 ASP QB 183 no 95.0 100.0 0.328 0.328 0.000 4 0 no 0.000 0 0
1 8 GLY QA 145 no 65.0 18.2 0.155 0.854 0.699 8 1 yes 1.209 3 20
1 9 LYS QB 62 yes 100.0 97.5 3.253 3.335 0.082 13 1 no 0.370 0 0
1 9 LYS QG 130 no 90.0 41.6 0.048 0.116 0.068 9 2 no 0.542 0 1
1 10 GLN QB 106 no 100.0 61.5 6.371 10.352 3.981 10 1 yes 3.489 20 24
1 10 GLN QG 123 no 35.0 20.3 0.014 0.068 0.054 9 1 no 0.561 0 1
1 12 ILE QG 39 yes 100.0 41.6 1.217 2.927 1.710 17 8 yes 1.566 3 7
1 14 LEU QB 195 no 55.0 56.3 0.152 0.270 0.118 3 0 no 0.737 0 8
1 14 LEU QD 137 yes 100.0 99.7 0.842 0.845 0.003 8 0 no 0.119 0 0
1 16 LYS QB 146 no 90.0 95.2 2.013 2.114 0.101 8 2 no 0.648 0 2
1 17 PRO QB 160 no 100.0 85.3 3.816 4.475 0.659 7 3 yes 1.172 2 11
1 17 PRO QD 96 no 60.0 5.8 0.272 4.709 4.437 11 2 yes 3.148 19 20
1 20 GLY QA 202 no 5.0 88.7 0.001 0.001 0.000 2 0 no 0.041 0 0
1 22 PRO QD 205 no 100.0 100.0 0.049 0.049 0.000 2 2 no 0.737 0 1
1 25 LEU QB 129 yes 90.0 96.3 0.248 0.257 0.010 9 2 no 0.274 0 0
1 25 LEU QD 21 yes 100.0 95.0 3.978 4.189 0.211 22 5 no 0.741 0 3
1 28 PHE QB 154 yes 90.0 99.5 0.669 0.673 0.003 7 0 no 0.159 0 0
1 29 SER QB 35 no 100.0 69.1 6.912 10.005 3.093 17 5 yes 1.271 6 23
1 30 PHE QB 74 no 35.0 5.0 0.018 0.360 0.342 13 6 no 0.970 0 7
1 31 TYR QB 117 yes 100.0 100.0 0.174 0.174 0.000 10 6 no 0.031 0 0
1 32 CYS QB 85 no 45.0 14.3 0.281 1.970 1.689 12 4 yes 1.624 11 34
1 33 PRO QD 177 no 70.0 49.9 0.007 0.013 0.007 5 2 no 0.074 0 0
1 33 PRO QG 197 no 90.0 25.7 0.158 0.617 0.459 3 1 no 0.578 0 8
1 34 HIS QB 116 yes 100.0 99.1 1.349 1.361 0.012 10 6 no 0.142 0 0
1 36 TYR QB 46 no 65.0 7.9 0.141 1.782 1.640 16 5 yes 1.683 8 37
1 37 GLN QE 26 yes 90.0 55.4 1.000 1.805 0.805 20 7 yes 1.319 11 36
1 38 PHE QB 43 no 100.0 99.8 2.677 2.682 0.005 16 4 no 0.075 0 0
1 39 GLU QB 136 no 70.0 34.8 0.184 0.529 0.345 8 0 no 0.989 0 18
1 39 GLU QG 153 no 65.0 58.7 0.429 0.730 0.301 7 0 no 0.899 0 10
1 40 GLU QB 110 yes 85.0 40.6 0.748 1.845 1.097 10 2 yes 1.027 1 2
1 40 GLU QG 56 no 95.0 98.9 3.642 3.683 0.041 14 1 no 0.607 0 2
1 41 VAL QG 27 yes 100.0 99.6 12.249 12.300 0.051 19 3 no 0.499 0 0
1 42 LEU QB 37 no 100.0 99.9 2.246 2.248 0.001 17 6 no 0.080 0 0
1 42 LEU QD 6 no 95.0 90.0 18.699 20.772 2.073 30 14 yes 1.695 2 9
1 44 VAL QG 2 yes 100.0 99.0 35.449 35.804 0.355 44 10 no 0.583 0 1
1 47 ASN QB 32 no 100.0 76.6 0.327 0.427 0.100 18 6 no 0.736 0 3
1 48 VAL QG 14 yes 100.0 54.2 14.957 27.573 12.616 24 5 yes 3.980 52 62
1 49 ARG QD 201 no 85.0 99.5 0.240 0.241 0.001 2 0 no 0.105 0 0
1 49 ARG QG 135 no 90.0 85.6 0.892 1.043 0.150 8 0 no 0.853 0 3
1 50 GLN QB 121 yes 100.0 99.5 1.937 1.947 0.010 9 0 no 0.096 0 0
1 50 GLN QE 204 no 20.0 99.4 0.026 0.026 0.000 2 1 no 0.044 0 0
1 50 GLN QG 144 yes 100.0 97.7 1.098 1.124 0.026 8 1 no 0.427 0 0
1 51 LYS QB 152 yes 100.0 100.0 0.494 0.494 0.000 7 0 no 0.044 0 0
1 51 LYS QD 182 no 70.0 53.2 0.271 0.510 0.239 4 0 no 0.886 0 8
1 52 LEU QB 133 yes 90.0 80.4 0.910 1.132 0.222 9 4 no 0.530 0 4
1 52 LEU QD 45 yes 100.0 97.7 9.204 9.417 0.213 16 5 yes 1.154 2 4
1 53 PRO QB 194 yes 100.0 99.8 0.294 0.295 0.001 3 0 no 0.101 0 0
1 53 PRO QD 72 no 90.0 80.0 0.802 1.002 0.201 13 5 no 0.854 0 2
1 54 GLU QB 193 no 60.0 59.0 0.061 0.104 0.042 3 0 no 0.593 0 1
1 55 GLY QA 192 no 80.0 72.5 0.074 0.102 0.028 3 0 no 0.529 0 2
1 57 LYS QB 165 yes 95.0 85.8 0.101 0.117 0.017 6 0 no 0.254 0 0
1 58 MET QB 157 no 65.0 45.3 0.047 0.103 0.057 7 1 no 0.480 0 0
1 58 MET QG 159 no 85.0 36.8 2.755 7.496 4.740 7 3 yes 3.338 14 25
1 61 TYR QB 66 yes 100.0 97.9 1.990 2.033 0.044 13 3 no 0.571 0 1
1 62 HIS QB 42 no 70.0 63.4 0.296 0.466 0.171 16 4 no 0.549 0 3
1 63 VAL QG 41 yes 100.0 100.0 2.956 2.957 0.001 16 2 no 0.113 0 0
1 64 GLU QG 78 yes 90.0 42.5 0.786 1.851 1.065 12 0 yes 1.038 5 27
1 65 PHE QB 181 yes 90.0 68.7 0.125 0.182 0.057 4 0 no 0.694 0 2
1 66 LEU QB 104 no 95.0 75.6 0.549 0.727 0.178 11 6 no 0.136 0 0
1 66 LEU QD 89 yes 90.0 94.5 0.357 0.377 0.021 12 5 no 0.173 0 0
1 67 GLY QA 128 yes 100.0 98.6 0.201 0.204 0.003 9 2 no 0.136 0 0
1 68 PRO QB 176 no 100.0 100.0 0.618 0.618 0.000 5 1 no 0.000 0 0
1 68 PRO QD 93 no 100.0 98.4 1.469 1.494 0.024 11 1 no 0.441 0 0
1 68 PRO QG 191 no 100.0 100.0 0.004 0.004 0.000 3 0 no 0.271 0 0
1 69 LEU QB 76 no 100.0 93.5 2.083 2.228 0.145 13 7 no 0.000 0 0
1 69 LEU QD 8 yes 100.0 96.3 7.523 7.815 0.292 26 10 no 0.761 0 12
1 70 GLY QA 131 yes 100.0 99.6 0.758 0.761 0.003 9 3 no 0.121 0 0
1 71 LYS QB 200 no 100.0 100.0 0.012 0.012 0.000 2 0 no 0.308 0 0
1 71 LYS QD 173 no 95.0 80.2 0.264 0.328 0.065 5 0 no 0.540 0 1
1 71 LYS QG 190 no 15.0 98.7 0.017 0.017 0.000 3 0 no 0.062 0 0
1 72 ASP QB 25 yes 75.0 65.5 1.734 2.648 0.914 20 6 yes 1.634 6 15
1 73 LEU QB 103 no 100.0 81.6 2.701 3.309 0.608 11 4 yes 0.810 0 21
1 73 LEU QD 23 no 100.0 98.2 14.242 14.497 0.255 21 9 no 0.793 0 9
1 75 GLN QB 148 yes 100.0 99.9 1.535 1.536 0.001 8 3 no 0.000 0 0
1 75 GLN QE 36 no 85.0 94.8 2.051 2.162 0.112 17 6 no 0.740 0 3
1 75 GLN QG 33 no 75.0 34.6 0.247 0.714 0.467 17 3 yes 1.534 4 6
1 77 TRP QB 60 yes 100.0 95.3 0.169 0.177 0.008 14 4 no 0.190 0 0
1 79 VAL QG 15 no 100.0 88.6 18.201 20.550 2.349 24 6 yes 1.140 2 22
1 81 ILE QG 65 yes 100.0 89.9 2.724 3.029 0.305 13 2 yes 1.031 1 9
1 83 LEU QB 114 no 100.0 87.7 0.759 0.866 0.106 10 3 no 0.497 0 0
1 84 GLY QA 102 no 45.0 13.0 0.002 0.018 0.016 11 4 no 0.141 0 0
1 85 VAL QG 11 no 100.0 95.7 9.601 10.032 0.431 25 8 yes 0.633 0 19
1 86 GLU QB 120 no 100.0 98.9 1.662 1.680 0.018 9 0 no 0.472 0 0
1 86 GLU QG 20 no 80.0 32.5 0.639 1.965 1.326 22 3 yes 1.386 11 20
1 87 ASP QB 170 no 80.0 49.6 0.265 0.534 0.269 6 2 no 0.958 0 2
1 88 LYS QD 95 yes 90.0 62.4 9.111 14.607 5.496 11 2 yes 2.204 33 47
1 88 LYS QG 70 no 75.0 18.0 0.098 0.544 0.446 13 4 yes 1.326 2 4
1 89 ILE QG 92 yes 100.0 90.9 0.565 0.622 0.056 11 0 no 0.441 0 0
1 92 PRO QB 187 yes 100.0 98.8 1.458 1.475 0.017 4 1 no 0.107 0 0
1 92 PRO QD 105 yes 100.0 95.3 0.296 0.310 0.014 10 1 no 0.276 0 0
1 93 MET QB 80 yes 90.0 87.8 0.143 0.163 0.020 12 1 no 0.378 0 0
1 94 PHE QB 40 no 100.0 99.9 4.915 4.920 0.005 16 1 no 0.093 0 0
1 97 VAL QG 4 yes 100.0 98.5 24.356 24.726 0.370 37 13 no 0.970 0 7
1 98 GLN QB 150 yes 100.0 97.8 0.201 0.205 0.005 8 4 no 0.122 0 0
1 98 GLN QE 10 yes 100.0 91.9 5.413 5.890 0.477 25 8 yes 0.863 0 17
1 98 GLN QG 51 no 95.0 81.0 0.919 1.135 0.215 15 3 yes 1.009 1 5
1 99 LYS QB 38 yes 100.0 90.9 0.369 0.406 0.037 17 7 no 0.576 0 1
1 99 LYS QD 100 no 95.0 73.3 0.304 0.415 0.111 11 3 no 0.576 0 1
1 99 LYS QE 119 yes 95.0 95.1 0.558 0.587 0.029 10 8 no 0.677 0 1
1 99 LYS QG 31 no 100.0 99.3 1.177 1.186 0.009 18 6 no 0.094 0 0
1 101 GLN QB 199 yes 100.0 96.6 0.117 0.121 0.004 2 0 no 0.151 0 0
1 101 GLN QG 164 yes 85.0 87.8 0.133 0.152 0.019 6 0 no 0.429 0 0
1 103 VAL QG 28 yes 100.0 92.2 6.380 6.917 0.537 19 4 yes 1.036 1 6
1 104 GLN QB 132 no 100.0 66.6 0.076 0.114 0.038 9 4 no 0.378 0 0
1 104 GLN QG 69 no 100.0 80.6 0.343 0.425 0.082 13 4 no 0.167 0 0
1 105 SER QB 143 no 80.0 14.6 0.128 0.874 0.746 8 1 yes 1.215 5 21
1 106 VAL QG 77 no 100.0 96.1 1.625 1.691 0.066 12 0 no 0.417 0 0
1 108 ASP QB 49 yes 75.0 83.8 2.185 2.606 0.421 15 2 no 0.967 0 8
1 109 ILE QG 57 no 90.0 61.4 0.892 1.455 0.562 14 2 yes 0.874 0 21
1 110 ARG QB 142 no 95.0 92.3 0.067 0.073 0.006 8 1 no 0.323 0 0
1 110 ARG QD 196 no 85.0 84.7 0.032 0.038 0.006 3 1 no 0.096 0 0
1 110 ARG QG 141 no 95.0 74.3 2.221 2.990 0.768 8 1 yes 1.326 6 18
1 111 LYS QB 122 no 85.0 49.9 0.009 0.018 0.009 9 1 no 0.093 0 0
1 112 VAL QG 9 yes 100.0 98.1 4.334 4.418 0.083 25 6 no 0.696 0 3
1 113 PHE QB 44 no 100.0 99.8 2.528 2.532 0.004 16 5 no 0.101 0 0
1 114 VAL QG 29 yes 100.0 99.9 13.489 13.504 0.015 19 6 no 0.120 0 0
1 115 ASP QB 50 no 90.0 63.1 0.140 0.222 0.082 15 3 no 0.696 0 3
1 117 GLY QA 189 no 95.0 98.0 0.006 0.006 0.000 3 0 no 0.051 0 0
1 118 VAL QG 17 yes 100.0 100.0 34.589 34.602 0.013 24 7 no 0.279 0 0
1 119 LYS QB 54 yes 80.0 66.3 2.675 4.033 1.358 15 5 yes 1.168 13 34
1 119 LYS QD 175 no 50.0 5.3 0.148 2.797 2.649 5 1 yes 1.531 20 52
1 119 LYS QG 140 no 65.0 43.0 0.194 0.452 0.257 8 1 no 0.833 0 13
1 120 GLY QA 73 no 55.0 19.5 0.089 0.454 0.365 13 6 no 0.631 0 2
1 121 GLU QB 168 yes 100.0 100.0 1.101 1.102 0.000 6 1 no 0.066 0 0
1 121 GLU QG 147 yes 90.0 85.1 0.937 1.101 0.164 8 3 no 0.891 0 4
1 122 ASP QB 68 no 75.0 85.2 0.538 0.631 0.093 13 4 no 0.491 0 0
1 123 TYR QB 88 no 95.0 90.5 0.567 0.626 0.059 12 5 no 0.495 0 0
1 124 ASP QB 163 no 65.0 35.9 0.729 2.028 1.299 6 0 yes 1.740 7 21
1 127 TRP QB 34 yes 100.0 56.2 1.179 2.099 0.920 17 5 no 0.401 0 0
1 128 ASN QB 113 no 80.0 12.3 0.457 3.712 3.255 10 3 yes 1.952 21 33
1 128 ASN QD 71 yes 80.0 79.0 2.346 2.970 0.624 13 5 yes 1.232 1 18
1 129 SER QB 112 yes 100.0 100.0 0.753 0.753 0.000 10 3 no 0.000 0 0
1 130 PHE QB 87 no 80.0 53.0 0.144 0.271 0.127 12 5 no 0.551 0 4
1 130 PHE QD 149 no 100.0 99.8 17.741 17.778 0.037 8 4 no 0.185 0 0
1 131 VAL QG 75 yes 100.0 93.8 5.352 5.705 0.352 13 7 no 0.412 0 0
1 132 VAL QG 3 no 100.0 95.5 33.121 34.678 1.556 38 9 yes 0.903 0 20
1 133 LYS QD 109 no 55.0 5.3 0.133 2.527 2.394 10 2 yes 2.391 13 35
1 133 LYS QG 108 yes 100.0 56.2 4.146 7.373 3.226 10 2 yes 1.537 28 40
1 135 LEU QB 48 no 100.0 96.1 2.911 3.028 0.117 15 2 yes 1.221 1 2
1 135 LEU QD 188 yes 100.0 100.0 1.377 1.377 0.000 3 0 no 0.000 0 0
1 136 VAL QG 16 no 100.0 72.1 22.242 30.836 8.595 24 7 yes 1.960 26 46
1 138 GLN QB 158 no 95.0 57.6 2.077 3.603 1.526 7 2 yes 1.941 11 20
1 138 GLN QG 79 no 55.0 60.7 1.350 2.222 0.872 12 1 yes 1.806 18 26
1 139 GLN QG 64 yes 80.0 88.6 1.342 1.515 0.173 13 2 no 0.686 0 1
1 140 GLU QB 139 no 75.0 17.7 0.335 1.896 1.560 8 1 yes 1.901 10 11
1 140 GLU QG 127 yes 95.0 87.6 0.361 0.413 0.051 9 2 no 0.884 0 1
1 141 LYS QB 180 no 100.0 99.2 0.059 0.060 0.001 4 0 no 0.082 0 0
1 145 ASP QB 156 yes 85.0 90.8 0.190 0.210 0.019 7 1 no 0.081 0 0
1 146 LEU QB 186 no 55.0 10.1 0.191 1.898 1.707 4 1 yes 1.424 8 14
1 147 GLN QB 198 no 25.0 100.0 0.004 0.004 0.000 2 0 no 0.000 0 0
1 147 GLN QE 115 yes 75.0 39.5 3.417 8.656 5.239 10 6 yes 2.593 27 50
1 148 LEU QB 86 no 90.0 88.9 1.361 1.531 0.170 12 5 no 0.655 0 8
1 148 LEU QD 13 no 95.0 26.8 2.009 7.499 5.491 24 4 yes 2.199 35 51
1 149 GLN QB 169 yes 100.0 93.5 1.576 1.687 0.110 6 2 no 0.595 0 3
1 149 GLN QG 101 no 75.0 15.7 0.297 1.888 1.592 11 4 yes 1.667 15 24
1 150 GLY QA 174 no 70.0 73.8 0.066 0.089 0.023 5 1 no 0.595 0 3
1 151 VAL QG 179 yes 100.0 99.8 4.785 4.794 0.009 4 0 no 0.275 0 0
1 152 PRO QB 162 no 100.0 66.9 1.103 1.650 0.547 6 0 yes 1.349 4 10
1 152 PRO QD 99 no 100.0 96.8 0.087 0.090 0.003 11 3 no 0.089 0 0
1 152 PRO QG 84 no 100.0 74.8 2.451 3.277 0.826 12 4 yes 1.473 7 15
1 154 MET QB 47 no 70.0 41.2 1.025 2.490 1.464 16 8 no 0.956 0 12
1 156 VAL QG 118 yes 100.0 74.9 1.380 1.842 0.463 10 7 yes 0.873 0 19
1 157 ASN QB 171 yes 100.0 99.9 2.203 2.205 0.002 6 3 no 0.104 0 0
1 158 GLY QA 167 no 100.0 1.6 0.710 45.060 44.350 6 1 yes 5.360 78 80
1 159 LYS QB 59 yes 100.0 56.9 2.797 4.913 2.115 14 4 no 0.330 0 0
1 159 LYS QG 61 yes 100.0 58.2 15.636 26.881 11.245 13 1 yes 3.593 41 76
1 160 TYR QB 91 yes 100.0 99.6 0.157 0.157 0.001 12 6 no 0.088 0 0
1 161 GLN QB 126 yes 80.0 70.2 3.439 4.897 1.458 9 2 yes 1.321 12 20
1 162 LEU QB 30 no 100.0 94.8 4.214 4.446 0.232 18 6 no 0.911 0 6
1 162 LEU QD 5 yes 100.0 98.8 13.802 13.966 0.165 32 5 no 0.677 0 4
1 163 ASN QB 19 no 100.0 86.6 0.090 0.104 0.014 23 9 no 0.125 0 0
1 163 ASN QD 18 yes 100.0 99.5 2.646 2.660 0.013 24 9 no 0.133 0 0
1 164 PRO QB 151 yes 100.0 100.0 0.818 0.818 0.000 7 0 no 0.000 0 0
1 164 PRO QD 53 no 100.0 99.7 0.718 0.721 0.002 15 5 no 0.074 0 0
1 166 GLY QA 172 no 60.0 30.5 0.044 0.144 0.100 6 4 no 0.737 0 1
1 167 MET QB 134 no 100.0 100.0 0.662 0.662 0.000 8 0 no 0.046 0 0
1 168 ASP QB 90 no 95.0 74.3 0.096 0.129 0.033 12 6 no 0.337 0 0
1 171 ASN QB 83 yes 100.0 99.0 1.263 1.276 0.013 12 4 no 0.095 0 0
1 171 ASN QD 58 no 100.0 84.4 2.475 2.931 0.456 14 4 no 0.555 0 1
1 172 MET QB 161 no 95.0 87.6 0.377 0.430 0.053 7 4 no 0.101 0 0
1 172 MET QG 111 no 100.0 92.5 4.585 4.955 0.369 10 3 yes 1.071 1 9
1 173 ASP QB 107 yes 100.0 98.0 0.737 0.752 0.015 10 2 no 0.222 0 0
1 174 VAL QG 12 yes 100.0 100.0 34.097 34.114 0.017 25 15 no 0.337 0 0
1 175 PHE QB 22 no 100.0 99.6 4.602 4.623 0.021 22 6 no 0.330 0 0
1 176 VAL QG 7 yes 100.0 99.8 8.767 8.781 0.014 26 6 no 0.330 0 0
1 178 GLN QB 125 no 100.0 99.7 3.446 3.457 0.010 9 2 no 0.114 0 0
1 178 GLN QE 55 yes 100.0 63.7 2.185 3.429 1.244 15 10 yes 1.868 11 18
1 178 GLN QG 52 no 100.0 93.2 6.344 6.810 0.466 15 5 no 0.806 0 9
1 179 TYR QB 67 yes 100.0 100.0 0.163 0.163 0.000 13 4 no 0.008 0 0
1 181 ASP QB 94 no 100.0 33.4 0.984 2.941 1.957 11 2 yes 1.037 1 11
1 183 VAL QG 124 yes 100.0 90.8 3.761 4.141 0.380 9 2 yes 1.544 2 6
1 184 LYS QB 178 no 50.0 86.2 0.313 0.363 0.050 4 0 no 0.971 0 1
1 185 GLN QB 138 yes 100.0 100.0 0.362 0.362 0.000 8 1 no 0.032 0 0
1 185 GLN QE 24 no 60.0 39.5 1.449 3.671 2.222 20 6 yes 2.274 11 24
1 185 GLN QG 98 no 70.0 97.4 0.215 0.221 0.006 11 3 no 0.088 0 0
1 186 LEU QB 97 no 100.0 57.6 0.787 1.366 0.579 11 3 yes 1.136 1 17
1 186 LEU QD 1 yes 100.0 98.1 13.865 14.130 0.264 46 9 yes 0.767 0 10
1 187 VAL QG 63 yes 100.0 99.6 13.947 13.998 0.051 13 2 no 0.514 0 1
1 188 GLU QB 185 yes 90.0 75.7 0.387 0.511 0.124 4 1 no 0.599 0 2
1 188 GLU QG 82 no 100.0 59.1 2.674 4.522 1.848 12 4 yes 1.202 1 3
1 189 LYS QD 81 no 40.0 4.3 0.146 3.389 3.243 12 4 yes 2.565 23 39
1 189 LYS QG 166 yes 95.0 92.0 0.858 0.933 0.075 6 1 no 0.919 0 1
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