NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
524704 |
3ztg   |
17772 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_3ztg
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 217
_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 32
_Stereo_assign_list.Total_e_low_states 0.888
_Stereo_assign_list.Total_e_high_states 204.774
_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 PRO QB 202 no 93.8 99.7 1.417 1.422 0.004 3 0 no 0.166 0 0
1 2 PRO QD 194 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.148 0 0
1 2 PRO QG 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 3 LEU QB 141 no 100.0 100.0 0.334 0.334 0.000 8 4 no 0.050 0 0
1 3 LEU QD 95 no 100.0 99.9 1.222 1.223 0.001 11 4 no 0.125 0 0
1 4 GLY QA 129 no 90.6 91.2 0.100 0.110 0.010 9 4 no 0.266 0 0
1 5 SER QB 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 6 GLU QB 165 no 12.5 92.7 0.000 0.000 0.000 6 0 no 0.024 0 0
1 7 ASP QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.040 0 0
1 8 ASP QB 168 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.134 0 0
1 9 PRO QB 201 no 100.0 100.0 0.405 0.405 0.000 3 0 no 0.000 0 0
1 9 PRO QD 138 no 25.0 38.9 0.003 0.007 0.004 8 2 no 0.151 0 0
1 11 PRO QB 55 no 100.0 99.9 4.259 4.261 0.002 16 0 no 0.098 0 0
1 11 PRO QD 21 no 93.8 99.9 0.370 0.370 0.000 22 2 no 0.068 0 0
1 11 PRO QG 52 no 100.0 100.0 4.238 4.238 0.000 17 4 no 0.036 0 0
1 13 GLU QB 193 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.064 0 0
1 13 GLU QG 164 no 37.5 97.7 0.024 0.024 0.001 6 0 no 0.111 0 0
1 14 LEU QB 85 no 100.0 0.0 0.000 0.000 0.000 13 4 no 0.005 0 0
1 14 LEU QD 4 no 96.9 0.0 0.000 0.007 0.007 34 10 no 0.175 0 0
1 15 LEU QB 59 no 37.5 99.4 0.003 0.003 0.000 16 4 no 0.018 0 0
1 15 LEU QD 14 no 100.0 0.0 0.000 0.042 0.042 26 6 no 0.268 0 0
1 16 CYS QB 6 no 100.0 100.0 3.590 3.591 0.001 30 5 no 0.077 0 0
1 17 LEU QB 116 no 100.0 100.0 0.000 0.000 0.000 10 4 no 0.014 0 0
1 17 LEU QD 42 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.077 0 0
1 20 LYS QB 88 no 100.0 100.0 0.545 0.545 0.000 13 6 no 0.000 0 0
1 20 LYS QD 115 no 87.5 99.3 0.091 0.091 0.001 10 4 no 0.067 0 0
1 20 LYS QG 163 no 15.6 100.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 21 ASP QB 135 no 100.0 0.0 0.000 0.004 0.004 8 0 no 0.115 0 0
1 23 MET QB 60 no 100.0 100.0 0.611 0.611 0.000 15 1 no 0.033 0 0
1 23 MET QG 8 no 100.0 99.9 0.551 0.551 0.000 28 4 no 0.052 0 0
1 25 ASP QB 150 no 40.6 99.9 0.026 0.026 0.000 7 0 no 0.031 0 0
1 30 PRO QB 192 no 100.0 100.0 0.283 0.283 0.000 4 0 no 0.000 0 0
1 30 PRO QD 54 no 100.0 99.9 0.788 0.789 0.001 16 0 no 0.045 0 0
1 30 PRO QG 90 no 100.0 100.0 3.490 3.491 0.001 12 0 no 0.065 0 0
1 31 CYS QB 33 no 100.0 99.1 0.623 0.629 0.006 20 10 no 0.161 0 0
1 32 CYS QB 67 no 100.0 92.6 0.075 0.081 0.006 15 8 no 0.092 0 0
1 33 GLY QA 109 no 100.0 100.0 1.910 1.910 0.000 10 2 no 0.040 0 0
1 34 ASN QB 94 no 100.0 100.0 1.173 1.173 0.000 11 0 no 0.000 0 0
1 34 ASN QD 66 no 100.0 99.9 0.553 0.553 0.000 15 6 no 0.062 0 0
1 35 SER QB 169 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 36 TYR QB 69 no 100.0 98.0 1.111 1.134 0.023 14 0 no 0.190 0 0
1 37 CYS QB 30 no 100.0 99.7 5.525 5.542 0.018 20 2 no 0.180 0 0
1 38 ASP QB 191 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 39 GLU QB 120 no 100.0 99.8 2.753 2.760 0.007 9 1 no 0.103 0 0
1 39 GLU QG 83 no 100.0 100.0 0.682 0.682 0.000 13 3 no 0.051 0 0
1 40 CYS QB 173 no 100.0 100.0 2.554 2.554 0.000 5 0 no 0.000 0 0
1 42 ARG QB 45 no 100.0 100.0 0.491 0.491 0.000 18 6 no 0.034 0 0
1 42 ARG QD 87 no 100.0 92.8 0.162 0.175 0.013 13 6 no 0.161 0 0
1 42 ARG QG 43 no 100.0 98.1 0.066 0.067 0.001 18 5 no 0.090 0 0
1 42 ARG QH1 217 no 100.0 100.0 0.361 0.361 0.000 1 1 no 0.000 0 0
1 42 ARG QH2 216 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 45 LEU QB 20 no 100.0 99.9 2.398 2.401 0.004 23 9 no 0.089 0 0
1 45 LEU QD 13 no 100.0 0.0 0.000 0.003 0.003 26 6 no 0.080 0 0
1 46 LEU QB 82 no 62.5 100.0 0.104 0.104 0.000 13 3 no 0.000 0 0
1 46 LEU QD 37 no 59.4 92.4 0.009 0.010 0.001 20 11 no 0.055 0 0
1 47 GLU QB 149 no 100.0 100.0 1.800 1.800 0.000 7 0 no 0.000 0 0
1 47 GLU QG 103 no 93.8 29.0 0.000 0.000 0.000 10 0 no 0.027 0 0
1 48 SER QB 80 no 37.5 99.8 0.015 0.015 0.000 13 0 no 0.033 0 0
1 50 GLU QB 153 no 100.0 99.6 0.067 0.067 0.000 7 2 no 0.054 0 0
1 51 HIS QB 79 no 46.9 99.2 0.010 0.010 0.000 13 0 no 0.035 0 0
1 53 CYS QB 10 no 100.0 100.0 2.221 2.221 0.000 27 7 no 0.053 0 0
1 54 PRO QB 102 no 100.0 96.7 1.541 1.593 0.053 10 0 no 0.279 0 0
1 54 PRO QD 29 no 100.0 99.7 1.115 1.118 0.003 20 2 no 0.089 0 0
1 54 PRO QG 28 no 100.0 100.0 3.155 3.156 0.001 20 2 no 0.064 0 0
1 56 CYS QB 71 no 100.0 99.3 0.448 0.451 0.003 14 4 no 0.088 0 0
1 57 HIS QB 134 no 100.0 100.0 1.998 1.998 0.000 8 0 no 0.029 0 0
1 58 GLN QB 36 no 100.0 99.8 0.177 0.177 0.000 20 11 no 0.057 0 0
1 58 GLN QE 48 no 100.0 99.6 3.513 3.527 0.014 18 9 no 0.178 0 0
1 58 GLN QG 65 no 100.0 100.0 7.061 7.064 0.003 15 5 no 0.095 0 0
1 59 ASN QB 111 no 100.0 99.9 1.446 1.447 0.001 10 3 no 0.102 0 0
1 59 ASN QD 140 no 100.0 99.5 0.713 0.716 0.003 8 4 no 0.102 0 0
1 60 ASP QB 174 no 84.4 99.9 0.280 0.280 0.000 5 1 no 0.067 0 0
1 62 SER QB 133 no 100.0 0.0 0.000 0.006 0.006 8 0 no 0.154 0 0
1 63 PRO QB 64 no 100.0 100.0 1.700 1.701 0.000 15 5 no 0.070 0 0
1 63 PRO QD 57 no 100.0 94.7 0.111 0.117 0.006 16 3 no 0.110 0 0
1 63 PRO QG 148 no 100.0 99.9 0.285 0.286 0.000 7 0 no 0.080 0 0
1 64 ASP QB 190 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 LEU QB 128 no 100.0 100.0 0.926 0.926 0.000 9 4 no 0.003 0 0
1 66 LEU QD 24 no 100.0 0.0 0.000 0.000 0.000 21 4 no 0.011 0 0
1 69 ASN QB 18 no 100.0 100.0 4.083 4.083 0.000 23 6 no 0.028 0 0
1 69 ASN QD 75 no 100.0 98.3 0.929 0.945 0.016 14 6 no 0.171 0 0
1 70 LYS QD 200 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 70 LYS QE 198 no 100.0 0.0 0.000 0.006 0.006 4 4 no 0.299 0 0
1 70 LYS QG 46 no 100.0 98.4 3.203 3.256 0.053 18 7 no 0.310 0 0
1 71 PHE QB 215 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 72 LEU QB 76 no 93.8 100.0 0.064 0.064 0.000 14 10 no 0.000 0 0
1 72 LEU QD 2 no 100.0 99.7 2.017 2.023 0.005 37 16 no 0.156 0 0
1 73 ARG QD 119 no 12.5 98.3 0.140 0.143 0.002 9 1 no 0.099 0 0
1 73 ARG QG 172 no 18.8 97.2 0.029 0.030 0.001 5 0 no 0.070 0 0
1 74 GLN QE 124 no 100.0 98.2 1.224 1.246 0.022 9 2 no 0.198 0 0
1 74 GLN QG 123 no 62.5 64.7 0.041 0.063 0.022 9 2 no 0.198 0 0
1 77 ASN QD 162 no 90.6 94.1 0.071 0.075 0.004 6 0 no 0.107 0 0
1 78 ASN QD 171 no 100.0 91.9 0.289 0.315 0.025 5 0 no 0.339 0 0
1 80 LYS QB 108 no 100.0 100.0 2.464 2.464 0.000 10 2 no 0.000 0 0
1 80 LYS QD 101 no 100.0 99.6 1.527 1.534 0.007 10 0 no 0.205 0 0
1 80 LYS QG 17 no 100.0 99.9 4.023 4.026 0.003 24 3 no 0.129 0 0
1 81 ASN QD 105 no 100.0 100.0 3.624 3.624 0.000 10 1 no 0.037 0 0
1 82 GLU QB 189 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 84 GLY QA 196 no 100.0 100.0 1.654 1.655 0.000 4 1 no 0.040 0 0
1 85 TYR QB 40 no 100.0 99.7 1.481 1.486 0.005 19 5 no 0.248 0 0
1 87 LYS QB 93 no 100.0 99.3 1.344 1.354 0.010 11 0 no 0.224 0 0
1 87 LYS QD 188 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.092 0 0
1 88 ARG QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 LEU QB 187 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.126 0 0
1 89 LEU QD 161 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.076 0 0
1 90 ARG QB 147 no 93.8 39.4 0.002 0.005 0.003 7 0 no 0.231 0 0
1 91 LYS QB 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 GLN QB 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.050 0 0
2 2 PRO QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.086 0 0
2 2 PRO QD 184 no 0.0 0.0 0.000 0.005 0.005 4 0 no 0.137 0 0
2 2 PRO QG 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 3 LEU QB 167 no 96.9 100.0 0.215 0.215 0.000 6 2 no 0.032 0 0
2 3 LEU QD 122 no 84.4 100.0 0.832 0.832 0.000 9 2 no 0.049 0 0
2 4 GLY QA 139 no 75.0 42.4 0.007 0.017 0.010 8 4 no 0.177 0 0
2 5 SER QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.086 0 0
2 6 GLU QB 160 no 15.6 96.8 0.001 0.001 0.000 6 0 no 0.032 0 0
2 7 ASP QB 146 no 100.0 98.9 0.650 0.658 0.007 7 0 no 0.159 0 0
2 8 ASP QB 166 no 6.3 87.0 0.002 0.002 0.000 6 2 no 0.069 0 0
2 9 PRO QB 199 no 100.0 100.0 0.620 0.620 0.000 3 0 no 0.005 0 0
2 9 PRO QD 152 no 12.5 63.0 0.001 0.001 0.000 7 2 no 0.069 0 0
2 11 PRO QB 53 no 100.0 99.9 5.052 5.055 0.003 16 0 no 0.114 0 0
2 11 PRO QD 27 no 100.0 100.0 0.509 0.509 0.000 20 2 no 0.025 0 0
2 11 PRO QG 51 no 100.0 100.0 4.847 4.849 0.002 17 4 no 0.082 0 0
2 13 GLU QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 13 GLU QG 145 no 40.6 98.8 0.023 0.023 0.000 7 0 no 0.094 0 0
2 14 LEU QB 84 no 100.0 0.0 0.000 0.000 0.000 13 4 no 0.008 0 0
2 14 LEU QD 3 no 0.0 0.0 0.000 0.009 0.009 34 10 no 0.170 0 0
2 15 LEU QB 62 no 12.5 89.7 0.000 0.000 0.000 15 4 no 0.019 0 0
2 15 LEU QD 12 no 84.4 20.9 0.011 0.052 0.041 26 6 no 0.271 0 0
2 16 CYS QB 5 no 100.0 100.0 3.540 3.540 0.000 30 5 no 0.077 0 0
2 17 LEU QB 114 no 100.0 100.0 0.000 0.000 0.000 10 4 no 0.008 0 0
2 17 LEU QD 41 no 100.0 0.0 0.000 0.001 0.001 18 4 no 0.156 0 0
2 20 LYS QB 96 no 100.0 100.0 0.548 0.548 0.000 11 6 no 0.034 0 0
2 20 LYS QD 113 no 84.4 99.5 0.116 0.117 0.001 10 4 no 0.060 0 0
2 20 LYS QG 159 no 3.1 100.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 21 ASP QB 132 no 0.0 0.0 0.000 0.003 0.003 8 0 no 0.107 0 0
2 23 MET QB 56 no 100.0 100.0 1.114 1.114 0.000 16 1 no 0.021 0 0
2 23 MET QG 7 no 100.0 100.0 0.462 0.462 0.000 28 4 no 0.039 0 0
2 25 ASP QB 144 no 53.1 99.3 0.037 0.037 0.000 7 0 no 0.059 0 0
2 30 PRO QB 183 no 100.0 100.0 0.284 0.284 0.000 4 0 no 0.000 0 0
2 30 PRO QD 49 no 100.0 99.9 0.815 0.816 0.000 17 0 no 0.043 0 0
2 30 PRO QG 89 no 100.0 100.0 3.620 3.621 0.001 12 0 no 0.054 0 0
2 31 CYS QB 32 no 100.0 99.2 0.613 0.618 0.005 20 10 no 0.120 0 0
2 32 CYS QB 86 no 100.0 94.4 0.111 0.117 0.007 13 6 no 0.132 0 0
2 33 GLY QA 107 no 100.0 100.0 1.649 1.649 0.000 10 2 no 0.065 0 0
2 34 ASN QB 92 no 100.0 100.0 0.982 0.982 0.000 11 0 no 0.000 0 0
2 34 ASN QD 137 no 100.0 98.7 0.088 0.090 0.001 8 2 no 0.092 0 0
2 35 SER QB 155 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
2 36 TYR QB 78 no 100.0 98.0 1.088 1.110 0.023 13 0 no 0.265 0 0
2 37 CYS QB 22 no 100.0 99.6 5.607 5.627 0.020 21 3 no 0.188 0 0
2 38 ASP QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 39 GLU QB 118 no 100.0 99.8 2.746 2.752 0.006 9 1 no 0.096 0 0
2 39 GLU QG 81 no 100.0 100.0 0.569 0.570 0.000 13 3 no 0.056 0 0
2 40 CYS QB 117 no 100.0 100.0 2.536 2.536 0.000 9 1 no 0.000 0 0
2 42 ARG QB 44 no 100.0 99.9 0.492 0.492 0.000 18 6 no 0.034 0 0
2 42 ARG QD 74 no 100.0 92.6 0.166 0.179 0.013 14 6 no 0.156 0 0
2 42 ARG QG 39 no 100.0 98.2 0.067 0.069 0.001 19 5 no 0.068 0 0
2 42 ARG QH1 213 no 100.0 100.0 0.338 0.338 0.000 2 1 no 0.000 0 0
2 42 ARG QH2 212 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
2 45 LEU QB 19 no 100.0 99.8 2.409 2.413 0.004 23 9 no 0.125 0 0
2 45 LEU QD 11 no 0.0 0.0 0.000 0.004 0.004 26 6 no 0.175 0 0
2 46 LEU QB 61 no 56.3 100.0 0.128 0.128 0.000 15 3 no 0.000 0 0
2 46 LEU QD 35 no 56.3 91.9 0.011 0.012 0.001 20 11 no 0.060 0 0
2 47 GLU QB 158 no 100.0 100.0 1.830 1.830 0.000 6 0 no 0.000 0 0
2 47 GLU QG 100 no 28.1 99.7 0.010 0.010 0.000 10 0 no 0.029 0 0
2 48 SER QB 99 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.058 0 0
2 50 GLU QB 151 no 100.0 99.7 0.070 0.070 0.000 7 2 no 0.065 0 0
2 51 HIS QB 77 no 37.5 98.5 0.007 0.007 0.000 13 0 no 0.051 0 0
2 53 CYS QB 9 no 100.0 100.0 2.219 2.219 0.001 27 7 no 0.082 0 0
2 54 PRO QB 98 no 100.0 96.5 1.470 1.523 0.053 10 0 no 0.283 0 0
2 54 PRO QD 26 no 100.0 99.7 1.073 1.076 0.003 20 2 no 0.092 0 0
2 54 PRO QG 25 no 100.0 100.0 3.134 3.135 0.001 20 2 no 0.099 0 0
2 56 CYS QB 70 no 100.0 99.5 0.541 0.544 0.003 14 4 no 0.093 0 0
2 57 HIS QB 131 no 100.0 100.0 1.979 1.979 0.000 8 0 no 0.028 0 0
2 58 GLN QB 34 no 100.0 100.0 0.087 0.087 0.000 20 11 no 0.012 0 0
2 58 GLN QE 47 no 100.0 99.7 5.070 5.084 0.015 18 9 no 0.186 0 0
2 58 GLN QG 63 no 100.0 100.0 6.830 6.832 0.003 15 5 no 0.090 0 0
2 59 ASN QB 126 no 100.0 100.0 1.306 1.307 0.001 9 3 no 0.102 0 0
2 59 ASN QD 154 no 100.0 99.2 0.420 0.424 0.004 7 3 no 0.102 0 0
2 60 ASP QB 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 62 SER QB 130 no 100.0 0.0 0.000 0.005 0.005 8 0 no 0.132 0 0
2 63 PRO QB 72 no 100.0 100.0 1.426 1.426 0.000 14 5 no 0.055 0 0
2 63 PRO QD 50 no 100.0 95.0 0.100 0.106 0.005 17 3 no 0.112 0 0
2 63 PRO QG 143 no 100.0 99.9 0.289 0.289 0.000 7 0 no 0.068 0 0
2 64 ASP QB 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 66 LEU QB 112 no 100.0 100.0 0.861 0.861 0.000 10 4 no 0.000 0 0
2 66 LEU QD 23 no 100.0 0.0 0.000 0.000 0.000 21 4 no 0.005 0 0
2 69 ASN QB 31 no 100.0 100.0 1.697 1.697 0.000 20 6 no 0.038 0 0
2 69 ASN QD 73 no 100.0 98.1 0.897 0.914 0.017 14 6 no 0.163 0 0
2 70 LYS QD 136 no 93.8 27.1 0.004 0.013 0.010 8 2 no 0.399 0 0
2 70 LYS QE 197 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.021 0 0
2 70 LYS QG 15 no 100.0 99.5 5.206 5.232 0.026 26 9 no 0.156 0 0
2 71 PHE QB 214 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 72 LEU QB 68 no 96.9 100.0 0.320 0.320 0.000 15 11 no 0.014 0 0
2 72 LEU QD 1 no 100.0 99.8 1.991 1.995 0.004 37 16 no 0.129 0 0
2 73 ARG QD 58 no 100.0 100.0 2.246 2.247 0.001 16 4 no 0.143 0 0
2 73 ARG QG 170 no 6.3 100.0 0.015 0.015 0.000 5 0 no 0.000 0 0
2 74 GLN QE 127 no 100.0 97.8 1.301 1.330 0.029 9 4 no 0.202 0 0
2 74 GLN QG 121 no 56.3 53.8 0.033 0.061 0.028 9 2 no 0.202 0 0
2 77 ASN QB 125 no 100.0 100.0 2.153 2.153 0.000 9 3 no 0.013 0 0
2 77 ASN QD 106 no 84.4 67.2 0.021 0.032 0.010 10 2 no 0.134 0 0
2 78 ASN QD 157 no 100.0 94.6 0.285 0.301 0.016 6 0 no 0.260 0 0
2 80 LYS QB 110 no 100.0 100.0 2.519 2.519 0.000 10 3 no 0.000 0 0
2 80 LYS QD 97 no 100.0 99.2 1.907 1.923 0.016 10 0 no 0.233 0 0
2 80 LYS QG 16 no 100.0 100.0 3.671 3.673 0.001 24 3 no 0.144 0 0
2 81 ASN QD 104 no 100.0 100.0 3.610 3.610 0.000 10 1 no 0.040 0 0
2 82 GLU QB 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 84 GLY QA 195 no 100.0 100.0 1.576 1.577 0.000 4 1 no 0.054 0 0
2 85 TYR QB 38 no 100.0 99.9 1.800 1.803 0.002 19 5 no 0.205 0 0
2 87 LYS QB 91 no 100.0 99.5 1.313 1.319 0.006 11 0 no 0.176 0 0
2 87 LYS QD 178 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.118 0 0
2 88 ARG QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 89 LEU QB 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.065 0 0
2 89 LEU QD 156 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.072 0 0
2 90 ARG QB 142 no 6.3 94.2 0.000 0.000 0.000 7 0 no 0.023 0 0
2 91 LYS QB 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 92 GLN QB 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.051 0 0
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