NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569133 |
2m3u   |
17582 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2m3u
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 213
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 0
_Stereo_assign_list.Deassign_percentage 0.0
_Stereo_assign_list.Model_count 21
_Stereo_assign_list.Total_e_low_states 1.997
_Stereo_assign_list.Total_e_high_states 448.490
_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 SER QB 206 no 42.9 98.5 0.051 0.051 0.001 4 0 no 0.107 0 0
1 3 LYS QB 171 no 28.6 52.8 0.004 0.008 0.004 10 0 no 0.206 0 0
1 7 LYS QB 50 no 100.0 99.8 8.192 8.211 0.019 20 5 no 0.161 0 0
1 7 LYS QG 75 no 100.0 99.9 1.549 1.551 0.002 18 6 no 0.146 0 0
1 8 ILE QG 152 no 100.0 99.4 1.299 1.307 0.008 13 8 no 0.276 0 0
1 10 PHE QB 148 no 100.0 99.5 1.742 1.751 0.009 13 5 no 0.168 0 0
1 11 TYR QB 91 no 100.0 98.4 0.530 0.538 0.008 17 5 no 0.170 0 0
1 12 GLU QB 169 no 100.0 99.9 4.717 4.722 0.004 11 5 no 0.137 0 0
1 12 GLU QG 29 no 100.0 99.7 5.451 5.467 0.016 23 6 no 0.148 0 0
1 13 ASP QB 47 no 100.0 99.7 3.989 4.003 0.014 21 12 no 0.161 0 0
1 14 LYS QB 71 no 100.0 93.5 0.120 0.128 0.008 19 9 no 0.161 0 0
1 14 LYS QG 157 no 100.0 98.8 1.504 1.522 0.018 12 7 no 0.231 0 0
1 15 ASN QB 129 no 100.0 99.0 0.900 0.909 0.009 15 8 no 0.168 0 0
1 15 ASN QD 96 no 100.0 99.7 1.773 1.778 0.005 17 13 no 0.129 0 0
1 16 PHE QB 117 no 100.0 99.1 2.912 2.937 0.025 15 3 no 0.197 0 0
1 17 GLN QB 166 no 100.0 99.3 1.091 1.099 0.008 11 4 no 0.207 0 0
1 17 GLN QE 73 no 100.0 99.8 2.765 2.770 0.006 19 13 no 0.189 0 0
1 17 GLN QG 23 no 100.0 100.0 5.384 5.386 0.002 25 13 no 0.092 0 0
1 18 VAL QG 16 no 57.1 54.7 0.014 0.025 0.012 26 14 no 0.207 0 0
1 19 ARG QD 45 no 100.0 99.9 4.678 4.681 0.003 21 9 no 0.102 0 0
1 19 ARG QG 125 no 100.0 100.0 0.725 0.725 0.000 15 6 no 0.007 0 0
1 20 ARG QB 22 no 100.0 99.9 4.118 4.121 0.003 25 10 no 0.108 0 0
1 20 ARG QD 70 no 95.2 93.6 0.187 0.200 0.013 19 9 no 0.207 0 0
1 20 ARG QG 147 no 76.2 95.0 0.114 0.120 0.006 13 5 no 0.198 0 0
1 21 TYR QB 199 no 61.9 93.3 0.022 0.024 0.002 6 1 no 0.152 0 0
1 22 ASP QB 60 no 100.0 99.9 1.698 1.700 0.002 19 4 no 0.115 0 0
1 23 CYS QB 161 no 100.0 99.9 1.222 1.224 0.002 11 1 no 0.102 0 0
1 24 ASP QB 116 no 100.0 99.9 1.570 1.571 0.001 15 3 no 0.125 0 0
1 25 CYS QB 192 no 100.0 99.8 3.058 3.063 0.005 8 2 no 0.169 0 0
1 29 ASP QB 194 no 57.1 65.6 0.034 0.051 0.018 7 1 no 0.174 0 0
1 30 PHE QB 209 no 100.0 100.0 0.804 0.804 0.000 3 0 no 0.000 0 0
1 31 HIS QB 182 no 100.0 99.8 4.704 4.714 0.010 9 1 no 0.127 0 0
1 33 TYR QB 177 no 52.4 99.8 0.025 0.025 0.000 10 4 no 0.024 0 0
1 34 LEU QB 168 no 100.0 100.0 1.909 1.910 0.001 11 5 no 0.090 0 0
1 34 LEU QD 5 no 100.0 99.8 2.166 2.171 0.005 44 16 no 0.154 0 0
1 36 ARG QB 208 no 100.0 99.8 4.107 4.117 0.010 3 0 no 0.234 0 0
1 37 CYS QB 126 no 71.4 73.0 0.014 0.020 0.005 15 7 no 0.157 0 0
1 38 ASN QB 86 no 100.0 99.7 6.008 6.024 0.016 17 2 no 0.231 0 0
1 39 SER QB 20 no 52.4 98.1 0.613 0.625 0.012 25 6 no 0.177 0 0
1 40 ILE QG 133 no 100.0 100.0 1.779 1.779 0.000 14 1 no 0.035 0 0
1 41 LYS QB 59 no 100.0 98.1 0.360 0.367 0.007 19 4 no 0.141 0 0
1 41 LYS QD 95 no 100.0 97.8 0.675 0.690 0.015 17 11 no 0.161 0 0
1 41 LYS QE 111 no 38.1 93.8 0.409 0.436 0.027 16 9 no 0.370 0 0
1 41 LYS QG 128 no 100.0 99.6 2.366 2.377 0.010 15 8 no 0.176 0 0
1 42 VAL QG 10 no 100.0 99.8 6.075 6.086 0.011 28 6 no 0.133 0 0
1 43 GLU QB 124 no 100.0 99.4 1.355 1.364 0.008 15 6 no 0.144 0 0
1 43 GLU QG 198 no 95.2 97.3 0.143 0.147 0.004 7 5 no 0.189 0 0
1 44 GLY QA 134 no 95.2 99.2 0.785 0.791 0.006 14 2 no 0.275 0 0
1 45 GLY QA 98 no 100.0 99.7 2.673 2.681 0.008 16 2 no 0.143 0 0
1 47 TRP QB 135 no 100.0 99.2 0.203 0.205 0.002 14 3 no 0.146 0 0
1 49 VAL QG 36 no 100.0 99.7 3.267 3.275 0.008 22 8 no 0.276 0 0
1 50 TYR QB 82 no 100.0 99.6 2.533 2.543 0.010 18 8 no 0.197 0 0
1 51 GLU QB 83 no 100.0 99.8 3.459 3.465 0.006 18 9 no 0.131 0 0
1 51 GLU QG 33 no 100.0 95.6 0.394 0.412 0.018 23 11 no 0.210 0 0
1 52 ARG QB 72 no 100.0 99.7 1.349 1.353 0.004 19 12 no 0.136 0 0
1 52 ARG QD 141 no 57.1 99.3 0.521 0.524 0.004 14 10 no 0.116 0 0
1 52 ARG QG 19 no 100.0 99.6 1.764 1.771 0.008 26 18 no 0.179 0 0
1 53 PRO QB 81 no 100.0 99.8 2.286 2.291 0.005 18 8 no 0.132 0 0
1 53 PRO QD 151 no 100.0 99.1 0.841 0.848 0.007 13 8 no 0.162 0 0
1 54 ASN QB 150 no 100.0 99.9 3.317 3.319 0.002 13 7 no 0.104 0 0
1 54 ASN QD 200 no 100.0 100.0 1.585 1.585 0.000 6 4 no 0.000 0 0
1 55 PHE QB 143 no 100.0 99.5 1.868 1.877 0.009 13 3 no 0.197 0 0
1 57 GLY QA 69 no 100.0 99.8 4.228 4.238 0.010 19 9 no 0.179 0 0
1 60 TYR QB 139 no 100.0 99.8 5.160 5.169 0.009 14 6 no 0.176 0 0
1 61 ILE QG 146 no 100.0 99.7 3.533 3.543 0.010 13 5 no 0.233 0 0
1 62 LEU QD 1 no 100.0 99.9 10.641 10.654 0.013 52 26 no 0.176 0 0
1 63 PRO QB 52 no 100.0 99.8 2.817 2.823 0.007 20 6 no 0.233 0 0
1 63 PRO QD 25 no 100.0 99.3 1.811 1.823 0.012 24 8 no 0.163 0 0
1 64 GLN QB 84 no 100.0 99.9 5.603 5.607 0.003 18 12 no 0.117 0 0
1 64 GLN QE 187 no 100.0 99.7 1.238 1.242 0.004 9 7 no 0.130 0 0
1 64 GLN QG 178 no 100.0 99.2 1.286 1.296 0.010 10 5 no 0.157 0 0
1 65 GLY QA 164 no 100.0 95.5 0.467 0.488 0.022 11 3 no 0.153 0 0
1 66 GLU QG 32 no 100.0 99.8 4.426 4.437 0.011 23 11 no 0.156 0 0
1 67 TYR QB 7 no 100.0 99.2 4.723 4.762 0.038 31 10 no 0.197 0 0
1 68 PRO QB 173 no 81.0 76.0 0.019 0.025 0.006 10 2 no 0.207 0 0
1 68 PRO QD 31 no 100.0 99.9 3.183 3.187 0.003 23 11 no 0.078 0 0
1 68 PRO QG 185 no 28.6 91.7 0.027 0.029 0.002 9 3 no 0.159 0 0
1 69 GLU QB 42 no 100.0 99.3 4.166 4.194 0.027 21 7 no 0.243 0 0
1 69 GLU QG 138 no 100.0 99.6 2.223 2.233 0.010 14 6 no 0.183 0 0
1 70 TYR QB 205 no 14.3 89.8 0.053 0.059 0.006 4 0 no 0.121 0 0
1 71 GLN QE 131 no 100.0 99.8 1.466 1.469 0.003 15 9 no 0.081 0 0
1 71 GLN QG 197 no 9.5 85.9 0.003 0.004 0.001 7 4 no 0.106 0 0
1 72 ARG QB 49 no 28.6 69.1 0.006 0.009 0.003 20 4 no 0.196 0 0
1 73 TRP QB 80 no 33.3 84.9 0.038 0.045 0.007 18 8 no 0.196 0 0
1 74 MET QB 149 no 100.0 98.1 1.245 1.269 0.024 13 7 no 0.190 0 0
1 74 MET QG 102 no 100.0 99.8 2.185 2.189 0.004 16 4 no 0.168 0 0
1 75 GLY QA 160 no 19.0 17.5 0.003 0.017 0.014 11 1 no 0.166 0 0
1 76 LEU QB 123 no 52.4 95.5 0.494 0.517 0.023 15 6 no 0.280 0 0
1 76 LEU QD 39 no 95.2 99.3 1.997 2.010 0.013 22 12 no 0.185 0 0
1 77 ASN QB 184 no 57.1 98.9 0.692 0.700 0.008 9 2 no 0.167 0 0
1 77 ASN QD 203 no 47.6 99.9 0.367 0.367 0.000 5 3 no 0.060 0 0
1 78 ASP QB 97 no 100.0 99.9 7.168 7.176 0.008 16 1 no 0.167 0 0
1 80 LEU QB 207 no 100.0 99.5 0.494 0.497 0.002 4 2 no 0.136 0 0
1 80 LEU QD 3 no 100.0 99.9 18.386 18.398 0.012 48 17 no 0.157 0 0
1 81 SER QB 54 no 100.0 99.5 4.566 4.587 0.021 20 9 no 0.387 0 0
1 83 CYS QB 155 no 100.0 99.8 2.028 2.032 0.004 12 2 no 0.136 0 0
1 84 ARG QB 113 no 100.0 99.7 2.452 2.460 0.008 15 0 no 0.154 0 0
1 86 VAL QG 48 no 100.0 99.7 7.024 7.043 0.020 20 2 no 0.223 0 0
1 88 LEU QB 163 no 100.0 97.9 0.247 0.252 0.005 11 3 no 0.145 0 0
1 88 LEU QD 101 no 100.0 99.6 2.419 2.428 0.009 16 4 no 0.305 0 0
1 89 PRO QB 130 no 100.0 99.8 3.126 3.132 0.007 15 9 no 0.188 0 0
1 89 PRO QD 40 no 95.2 88.5 0.129 0.146 0.017 22 14 no 0.188 0 0
1 89 PRO QG 179 no 95.2 100.0 0.002 0.002 0.000 10 7 no 0.000 0 0
1 90 SER QB 211 no 38.1 41.5 0.001 0.002 0.001 2 0 no 0.076 0 0
1 91 GLY QA 190 no 42.9 8.1 0.000 0.006 0.005 8 1 no 0.188 0 0
1 93 GLN QB 122 no 61.9 82.6 0.014 0.017 0.003 15 6 no 0.183 0 0
1 93 GLN QE 170 no 100.0 98.7 0.598 0.605 0.008 11 8 no 0.228 0 0
1 93 GLN QG 53 no 66.7 97.6 0.343 0.352 0.008 20 9 no 0.190 0 0
1 94 TYR QB 90 no 100.0 99.1 1.417 1.430 0.013 17 5 no 0.242 0 0
1 95 LYS QB 63 no 100.0 99.4 3.057 3.075 0.018 19 6 no 0.183 0 0
1 95 LYS QD 121 no 81.0 91.7 0.093 0.101 0.008 15 5 no 0.138 0 0
1 95 LYS QE 107 no 100.0 91.2 0.296 0.324 0.028 16 6 no 0.528 0 1
1 96 ILE QG 61 no 100.0 99.8 2.767 2.773 0.006 19 5 no 0.135 0 0
1 97 GLN QB 188 no 100.0 100.0 2.433 2.434 0.001 8 0 no 0.092 0 0
1 97 GLN QE 201 no 90.5 94.7 0.184 0.195 0.010 5 0 no 0.291 0 0
1 98 ILE QG 88 no 100.0 99.7 0.903 0.906 0.003 17 3 no 0.109 0 0
1 100 GLU QB 104 no 100.0 100.0 2.038 2.038 0.000 16 5 no 0.000 0 0
1 100 GLU QG 30 no 100.0 98.9 2.749 2.779 0.030 23 10 no 0.220 0 0
1 101 LYS QB 26 no 100.0 99.7 0.973 0.976 0.002 24 15 no 0.154 0 0
1 101 LYS QD 127 no 100.0 100.0 0.204 0.204 0.000 15 8 no 0.039 0 0
1 101 LYS QG 8 no 100.0 100.0 5.580 5.583 0.002 29 13 no 0.105 0 0
1 102 GLY QA 176 no 95.2 99.3 0.158 0.160 0.001 10 4 no 0.113 0 0
1 103 ASP QB 193 no 100.0 99.8 0.325 0.325 0.001 8 3 no 0.053 0 0
1 104 PHE QB 119 no 100.0 99.9 1.417 1.418 0.001 15 4 no 0.090 0 0
1 105 SER QB 38 no 100.0 100.0 0.999 0.999 0.000 22 12 no 0.031 0 0
1 106 GLY QA 37 no 100.0 99.8 6.300 6.312 0.012 22 12 no 0.204 0 0
1 107 GLN QB 85 no 100.0 99.7 2.308 2.315 0.007 18 14 no 0.190 0 0
1 107 GLN QE 202 no 95.2 99.9 2.100 2.102 0.001 5 2 no 0.122 0 0
1 107 GLN QG 132 no 81.0 94.3 0.268 0.284 0.016 15 10 no 0.193 0 0
1 108 MET QG 34 no 100.0 99.7 2.155 2.161 0.006 22 0 no 0.125 0 0
1 109 TYR QB 181 no 100.0 99.4 2.208 2.220 0.013 9 1 no 0.206 0 0
1 110 GLU QB 165 no 4.8 75.8 0.027 0.036 0.009 11 4 no 0.226 0 0
1 110 GLU QG 136 no 4.8 69.5 0.022 0.032 0.010 14 5 no 0.226 0 0
1 113 GLU QB 162 no 76.2 79.0 0.023 0.029 0.006 11 3 no 0.185 0 0
1 113 GLU QG 174 no 81.0 72.6 0.051 0.070 0.019 10 3 no 0.216 0 0
1 114 ASP QB 64 no 100.0 99.4 2.958 2.975 0.017 19 7 no 0.188 0 0
1 115 CYS QB 74 no 100.0 99.7 4.756 4.768 0.012 18 6 no 0.181 0 0
1 116 PRO QD 109 no 100.0 96.7 0.475 0.491 0.016 16 7 no 0.171 0 0
1 116 PRO QG 175 no 95.2 85.0 0.043 0.050 0.008 10 4 no 0.293 0 0
1 117 SER QB 68 no 100.0 99.4 2.884 2.901 0.017 19 9 no 0.236 0 0
1 118 ILE QG 191 no 90.5 100.0 0.011 0.011 0.000 8 2 no 0.000 0 0
1 119 MET QB 99 no 100.0 79.8 0.162 0.203 0.041 16 3 no 0.177 0 0
1 119 MET QG 110 no 100.0 99.7 1.588 1.593 0.004 16 8 no 0.090 0 0
1 120 GLU QB 46 no 100.0 99.7 2.515 2.522 0.008 21 10 no 0.153 0 0
1 120 GLU QG 140 no 76.2 55.2 0.009 0.016 0.007 14 7 no 0.157 0 0
1 121 GLN QB 44 no 100.0 97.7 1.699 1.738 0.039 21 8 no 0.165 0 0
1 121 GLN QE 156 no 100.0 99.0 0.856 0.864 0.008 12 5 no 0.156 0 0
1 121 GLN QG 79 no 100.0 99.9 1.891 1.892 0.001 18 8 no 0.085 0 0
1 122 PHE QB 35 no 100.0 99.9 2.849 2.852 0.003 22 7 no 0.122 0 0
1 124 MET QB 58 no 100.0 99.3 1.124 1.132 0.008 19 4 no 0.160 0 0
1 124 MET QG 28 no 100.0 98.7 1.463 1.483 0.019 23 6 no 0.287 0 0
1 125 ARG QB 106 no 100.0 99.8 2.283 2.287 0.004 16 6 no 0.219 0 0
1 126 GLU QB 180 no 100.0 99.6 2.831 2.841 0.010 9 0 no 0.188 0 0
1 127 ILE QG 87 no 100.0 99.8 4.730 4.740 0.010 17 3 no 0.136 0 0
1 128 HIS QB 115 no 100.0 99.7 1.710 1.715 0.005 15 3 no 0.172 0 0
1 129 SER QB 159 no 95.2 97.3 0.304 0.312 0.008 11 1 no 0.209 0 0
1 130 CYS QB 114 no 95.2 98.9 0.514 0.520 0.006 15 2 no 0.187 0 0
1 131 LYS QB 186 no 95.2 80.7 0.005 0.006 0.001 9 4 no 0.190 0 0
1 133 LEU QB 196 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 134 GLU QB 145 no 100.0 99.8 1.941 1.946 0.005 13 4 no 0.179 0 0
1 134 GLU QG 212 no 9.5 87.0 0.002 0.002 0.000 2 1 no 0.065 0 0
1 135 GLY QA 167 no 100.0 99.9 1.970 1.972 0.003 11 5 no 0.135 0 0
1 136 VAL QG 213 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 137 TRP QB 27 no 100.0 99.9 2.227 2.229 0.002 23 4 no 0.114 0 0
1 138 ILE QG 189 no 100.0 99.8 2.183 2.186 0.003 8 1 no 0.123 0 0
1 139 PHE QB 103 no 100.0 100.0 2.991 2.992 0.001 16 5 no 0.109 0 0
1 140 TYR QB 56 no 100.0 99.1 2.049 2.067 0.019 19 3 no 0.190 0 0
1 141 GLU QB 62 no 100.0 99.9 1.356 1.358 0.002 19 6 no 0.127 0 0
1 141 GLU QG 137 no 100.0 99.6 1.962 1.970 0.009 14 6 no 0.158 0 0
1 142 LEU QD 2 no 100.0 99.6 14.624 14.677 0.054 50 27 no 0.241 0 0
1 143 PRO QB 6 no 100.0 99.6 13.749 13.800 0.051 38 23 no 0.245 0 0
1 143 PRO QD 12 no 100.0 99.9 5.656 5.660 0.004 28 19 no 0.098 0 0
1 143 PRO QG 9 no 100.0 98.4 1.370 1.393 0.023 29 17 no 0.215 0 0
1 144 ASN QB 65 no 100.0 100.0 1.444 1.444 0.001 19 8 no 0.072 0 0
1 144 ASN QD 94 no 100.0 99.8 0.424 0.425 0.001 17 11 no 0.100 0 0
1 145 TYR QB 41 no 100.0 99.0 1.367 1.381 0.014 21 7 no 0.170 0 0
1 146 ARG QB 13 no 100.0 99.3 3.775 3.802 0.027 27 12 no 0.200 0 0
1 147 GLY QA 18 no 100.0 99.9 2.782 2.785 0.003 26 16 no 0.129 0 0
1 148 ARG QB 67 no 95.2 99.2 0.324 0.327 0.003 19 9 no 0.074 0 0
1 148 ARG QD 55 no 95.2 99.0 0.291 0.294 0.003 20 11 no 0.120 0 0
1 148 ARG QG 43 no 76.2 92.3 0.327 0.354 0.027 21 8 no 0.475 0 0
1 149 GLN QB 172 no 47.6 79.3 0.041 0.052 0.011 10 2 no 0.368 0 0
1 149 GLN QE 210 no 4.8 100.0 0.002 0.002 0.000 3 2 no 0.000 0 0
1 149 GLN QG 183 no 33.3 94.4 0.045 0.047 0.003 9 2 no 0.216 0 0
1 150 TYR QB 120 no 100.0 99.3 1.698 1.709 0.011 15 5 no 0.172 0 0
1 151 LEU QB 154 no 100.0 99.9 4.253 4.257 0.004 12 0 no 0.192 0 0
1 152 LEU QD 51 no 100.0 99.8 17.747 17.789 0.042 20 6 no 0.340 0 0
1 157 TYR QB 76 no 100.0 99.8 3.244 3.250 0.006 18 7 no 0.188 0 0
1 159 LYS QB 24 no 100.0 99.8 1.595 1.598 0.004 24 8 no 0.135 0 0
1 159 LYS QG 144 no 100.0 97.3 1.326 1.363 0.037 13 4 no 0.331 0 0
1 160 PRO QB 105 no 19.0 88.4 0.021 0.023 0.003 16 6 no 0.159 0 0
1 160 PRO QD 17 no 100.0 99.8 3.245 3.251 0.005 26 15 no 0.145 0 0
1 161 ILE QG 153 no 100.0 100.0 0.512 0.512 0.000 12 0 no 0.041 0 0
1 162 ASP QB 112 no 100.0 99.8 1.058 1.060 0.002 15 0 no 0.135 0 0
1 163 TRP QB 92 no 100.0 99.3 2.020 2.033 0.013 17 7 no 0.232 0 0
1 164 GLY QA 142 no 100.0 98.6 1.795 1.821 0.026 13 3 no 0.145 0 0
1 167 SER QB 118 no 100.0 99.9 0.873 0.874 0.001 15 4 no 0.092 0 0
1 168 PRO QB 93 no 100.0 99.8 2.997 3.004 0.007 17 8 no 0.145 0 0
1 168 PRO QD 15 no 100.0 98.7 3.200 3.243 0.043 26 10 no 0.206 0 0
1 170 VAL QG 4 no 100.0 99.9 13.805 13.817 0.012 47 14 no 0.193 0 0
1 171 GLN QB 78 no 100.0 98.8 1.143 1.157 0.014 18 8 no 0.153 0 0
1 171 GLN QE 108 no 100.0 99.4 0.995 1.002 0.006 16 7 no 0.180 0 0
1 171 GLN QG 14 no 100.0 100.0 1.242 1.243 0.000 27 14 no 0.061 0 0
1 173 PHE QB 57 no 100.0 99.6 0.746 0.749 0.003 19 4 no 0.098 0 0
1 174 ARG QB 89 no 100.0 98.4 0.468 0.475 0.008 17 5 no 0.133 0 0
1 174 ARG QD 11 no 100.0 98.0 1.449 1.478 0.029 28 11 no 0.240 0 0
1 174 ARG QG 21 no 100.0 87.4 0.109 0.124 0.016 25 7 no 0.168 0 0
1 175 ARG QB 100 no 85.7 96.4 0.128 0.133 0.005 16 4 no 0.188 0 0
1 175 ARG QD 66 no 52.4 89.9 0.214 0.238 0.024 19 9 no 0.349 0 0
1 175 ARG QG 77 no 85.7 98.5 0.509 0.517 0.008 18 8 no 0.240 0 0
1 176 ILE QG 158 no 100.0 99.8 3.529 3.535 0.006 11 1 no 0.144 0 0
1 178 GLU QB 195 no 23.8 97.5 0.089 0.091 0.002 7 2 no 0.145 0 0
1 178 GLU QG 204 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
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