NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412960 |
2bzb   |
7350 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2bzb
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 200
_Stereo_assign_list.Swap_count 2
_Stereo_assign_list.Swap_percentage 1.0
_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 1.344
_Stereo_assign_list.Total_e_high_states 177.486
_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 GLU QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 2 GLU QG 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.095 0 0
1 3 MET QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 3 MET QG 118 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.142 0 0
1 4 GLY QA 160 yes 100.0 100.0 0.692 0.692 0.000 3 1 no 0.008 0 0
1 5 GLN QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 5 GLN QG 117 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.006 0 0
1 6 LEU QB 62 no 100.0 100.0 2.274 2.274 0.000 14 5 no 0.019 0 0
1 6 LEU QD 44 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.036 0 0
1 7 LYS QB 66 no 96.9 74.8 1.786 2.388 0.602 13 5 no 0.177 0 0
1 7 LYS QD 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 7 LYS QE 200 no 100.0 0.0 0.000 0.002 0.002 2 2 no 0.177 0 0
1 7 LYS QG 85 no 100.0 99.8 1.199 1.202 0.003 10 0 no 0.126 0 0
1 8 ASN QB 158 no 100.0 0.0 0.000 0.002 0.002 4 2 no 0.124 0 0
1 8 ASN QD 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 LYS QB 57 no 100.0 100.0 1.533 1.533 0.000 14 3 no 0.040 0 0
1 9 LYS QD 127 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 9 LYS QG 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 10 ILE QG 69 no 100.0 100.0 2.024 2.024 0.000 13 6 no 0.006 0 0
1 11 GLU QB 116 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.013 0 0
1 11 GLU QG 101 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.045 0 0
1 12 ASN QB 192 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.159 0 0
1 13 LYS QB 115 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 13 LYS QD 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 LYS QE 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 LYS QG 53 no 100.0 99.9 0.843 0.844 0.001 14 2 no 0.090 0 0
1 14 LYS QB 27 no 100.0 99.5 2.395 2.406 0.012 19 5 no 0.234 0 0
1 14 LYS QD 77 no 100.0 100.0 2.905 2.905 0.000 11 1 no 0.009 0 0
1 14 LYS QE 9 no 100.0 99.6 1.493 1.499 0.007 26 11 no 0.122 0 0
1 14 LYS QG 56 no 100.0 100.0 0.704 0.704 0.000 14 3 no 0.035 0 0
1 15 LYS QB 126 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.035 0 0
1 15 LYS QD 58 no 100.0 99.9 3.012 3.015 0.002 14 4 no 0.106 0 0
1 15 LYS QG 157 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 16 GLU QB 72 no 100.0 99.8 1.027 1.029 0.002 12 2 no 0.084 0 0
1 16 GLU QG 114 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 17 LEU QB 17 no 100.0 100.0 3.733 3.734 0.000 21 5 no 0.043 0 0
1 17 LEU QD 4 no 0.0 0.0 0.000 0.019 0.019 28 10 no 0.277 0 0
1 18 ILE QG 42 no 100.0 100.0 3.454 3.455 0.001 17 5 no 0.140 0 0
1 19 GLN QB 81 no 100.0 100.0 1.630 1.631 0.001 11 2 no 0.044 0 0
1 19 GLN QG 74 no 100.0 99.9 0.348 0.349 0.000 11 0 no 0.068 0 0
1 20 LEU QB 15 no 100.0 100.0 2.342 2.342 0.000 22 9 no 0.020 0 0
1 20 LEU QD 92 no 100.0 0.0 0.000 0.001 0.001 10 6 no 0.122 0 0
1 21 VAL QG 8 no 0.0 0.0 0.000 0.018 0.018 26 8 no 0.174 0 0
1 23 ARG QB 84 no 100.0 100.0 3.089 3.090 0.000 10 0 no 0.028 0 0
1 23 ARG QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 ARG QG 49 no 100.0 100.0 2.813 2.814 0.000 14 0 no 0.056 0 0
1 24 HIS QB 19 no 100.0 99.9 4.218 4.223 0.005 20 2 no 0.102 0 0
1 26 LEU QB 29 no 100.0 100.0 4.372 4.373 0.000 19 6 no 0.037 0 0
1 26 LEU QD 10 no 0.0 0.0 0.000 0.005 0.005 26 12 no 0.130 0 0
1 27 ASP QB 100 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.132 0 0
1 28 HIS QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.053 0 0
1 29 ASP QB 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.052 0 0
1 30 LYS QB 1 no 100.0 99.6 2.065 2.072 0.008 30 12 no 0.157 0 0
1 30 LYS QD 103 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.065 0 0
1 30 LYS QE 105 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.059 0 0
1 30 LYS QG 32 no 100.0 99.9 0.838 0.839 0.001 18 2 no 0.070 0 0
1 31 VAL QG 70 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.018 0 0
1 32 LEU QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 LEU QD 99 no 0.0 0.0 0.000 0.002 0.002 8 0 no 0.127 0 0
1 33 LEU QB 25 no 100.0 100.0 1.174 1.175 0.000 19 4 no 0.067 0 0
1 33 LEU QD 73 no 100.0 0.0 0.000 0.001 0.001 12 6 no 0.105 0 0
1 34 PHE QB 50 no 100.0 100.0 0.873 0.873 0.000 14 1 no 0.044 0 0
1 35 SER QB 125 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.140 0 0
1 36 ARG QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 ARG QD 64 no 100.0 99.8 1.830 1.834 0.004 13 2 no 0.113 0 0
1 36 ARG QG 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 37 ASP QB 90 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.065 0 0
1 38 LEU QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 LEU QD 38 no 100.0 0.0 0.000 0.012 0.012 18 6 no 0.189 0 0
1 39 ASP QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.035 0 0
1 40 LYS QB 185 no 0.0 0.0 0.000 0.004 0.004 2 0 no 0.138 0 0
1 40 LYS QD 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.059 0 0
1 40 LYS QG 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.026 0 0
1 41 LEU QB 40 no 100.0 100.0 2.508 2.509 0.000 17 3 no 0.045 0 0
1 41 LEU QD 13 no 6.3 0.0 0.000 0.002 0.002 24 6 no 0.103 0 0
1 42 ILE QG 23 no 100.0 100.0 1.246 1.246 0.000 19 3 no 0.000 0 0
1 43 ASN QB 46 no 100.0 100.0 2.081 2.081 0.001 16 5 no 0.056 0 0
1 43 ASN QD 156 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.045 0 0
1 44 LYS QB 21 no 100.0 100.0 3.587 3.587 0.000 20 7 no 0.036 0 0
1 44 LYS QD 130 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.012 0 0
1 44 LYS QE 155 no 100.0 0.0 0.000 0.002 0.002 4 2 no 0.074 0 0
1 44 LYS QG 88 no 100.0 99.9 1.168 1.170 0.002 10 2 no 0.097 0 0
1 45 PHE QB 36 no 100.0 100.0 1.651 1.651 0.000 18 5 no 0.048 0 0
1 46 MET QB 120 no 100.0 100.0 3.702 3.703 0.000 6 1 no 0.056 0 0
1 46 MET QG 34 no 100.0 0.0 0.000 0.004 0.004 18 4 no 0.113 0 0
1 47 ASN QB 94 no 96.9 99.5 0.464 0.467 0.002 9 2 no 0.147 0 0
1 47 ASN QD 199 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.029 0 0
1 48 VAL QG 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.051 0 0
1 49 LYS QB 141 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.131 0 0
1 49 LYS QD 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 LYS QG 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.069 0 0
1 51 LYS QB 107 no 100.0 100.0 0.304 0.304 0.000 7 2 no 0.037 0 0
1 51 LYS QD 124 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.050 0 0
1 51 LYS QG 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 VAL QG 98 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.152 0 0
1 53 HIS QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 LYS QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 55 LEU QD 140 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.135 0 0
1 56 GLU QG 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 57 HIS QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 2 GLU QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 2 GLU QG 176 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.157 0 0
2 3 MET QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 3 MET QG 112 no 0.0 0.0 0.000 0.002 0.002 6 0 no 0.134 0 0
2 4 GLY QA 159 yes 100.0 100.0 0.510 0.510 0.000 3 1 no 0.000 0 0
2 5 GLN QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 5 GLN QG 111 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 6 LEU QB 61 no 100.0 100.0 2.231 2.231 0.000 14 5 no 0.013 0 0
2 6 LEU QD 43 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.054 0 0
2 7 LYS QB 68 no 93.8 82.6 2.108 2.552 0.444 13 6 no 0.122 0 0
2 7 LYS QD 65 no 100.0 100.0 4.996 4.997 0.001 13 4 no 0.104 0 0
2 7 LYS QE 198 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.038 0 0
2 7 LYS QG 76 no 100.0 99.8 1.107 1.109 0.002 11 1 no 0.090 0 0
2 8 ASN QB 154 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.122 0 0
2 8 ASN QD 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 9 LYS QB 55 no 100.0 100.0 1.486 1.486 0.000 14 3 no 0.039 0 0
2 9 LYS QD 123 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
2 9 LYS QG 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 10 ILE QG 67 no 100.0 100.0 2.018 2.018 0.000 13 6 no 0.006 0 0
2 11 GLU QB 47 no 100.0 100.0 3.553 3.553 0.000 15 3 no 0.049 0 0
2 11 GLU QG 87 no 100.0 0.0 0.000 0.001 0.001 10 2 no 0.050 0 0
2 12 ASN QB 153 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 13 LYS QB 110 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 13 LYS QD 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 13 LYS QE 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 13 LYS QG 52 no 100.0 99.9 0.936 0.937 0.001 14 2 no 0.097 0 0
2 14 LYS QB 26 no 100.0 99.5 2.486 2.498 0.012 19 5 no 0.237 0 0
2 14 LYS QD 80 no 100.0 100.0 3.811 3.811 0.000 11 2 no 0.034 0 0
2 14 LYS QE 11 no 100.0 99.6 1.597 1.604 0.007 25 12 no 0.114 0 0
2 14 LYS QG 54 no 100.0 100.0 0.685 0.685 0.000 14 3 no 0.032 0 0
2 15 LYS QB 79 no 100.0 100.0 3.057 3.057 0.000 11 2 no 0.029 0 0
2 15 LYS QD 60 no 100.0 99.9 2.656 2.658 0.002 14 5 no 0.073 0 0
2 15 LYS QG 82 no 100.0 100.0 0.890 0.890 0.000 11 3 no 0.000 0 0
2 16 GLU QB 71 no 100.0 99.8 1.119 1.121 0.002 12 2 no 0.067 0 0
2 16 GLU QG 109 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 17 LEU QB 16 no 100.0 100.0 3.789 3.789 0.000 21 5 no 0.044 0 0
2 17 LEU QD 3 no 100.0 0.0 0.000 0.019 0.019 28 10 no 0.260 0 0
2 18 ILE QG 41 no 100.0 100.0 3.332 3.333 0.001 17 5 no 0.072 0 0
2 19 GLN QB 78 no 100.0 100.0 1.716 1.716 0.001 11 2 no 0.040 0 0
2 19 GLN QG 75 no 100.0 100.0 0.366 0.366 0.000 11 1 no 0.046 0 0
2 20 LEU QB 14 no 100.0 100.0 2.389 2.389 0.000 22 9 no 0.013 0 0
2 20 LEU QD 91 no 100.0 0.0 0.000 0.006 0.006 10 6 no 0.225 0 0
2 21 VAL QG 7 no 90.6 0.0 0.000 0.013 0.013 26 8 no 0.161 0 0
2 23 ARG QB 83 no 100.0 100.0 3.197 3.198 0.000 10 0 no 0.055 0 0
2 23 ARG QD 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 23 ARG QG 48 no 100.0 100.0 3.025 3.026 0.001 14 0 no 0.061 0 0
2 24 HIS QB 18 no 100.0 99.9 4.793 4.798 0.005 20 2 no 0.121 0 0
2 26 LEU QB 30 no 100.0 100.0 4.540 4.541 0.001 19 8 no 0.065 0 0
2 26 LEU QD 6 no 100.0 0.0 0.000 0.007 0.007 28 14 no 0.169 0 0
2 27 ASP QB 97 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.086 0 0
2 28 HIS QB 170 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.101 0 0
2 29 ASP QB 137 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.069 0 0
2 30 LYS QB 5 no 100.0 99.3 1.918 1.931 0.014 28 13 no 0.193 0 0
2 30 LYS QD 28 no 100.0 96.6 0.178 0.184 0.006 19 6 no 0.169 0 0
2 30 LYS QE 104 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.059 0 0
2 30 LYS QG 31 no 100.0 99.9 1.123 1.124 0.001 18 2 no 0.069 0 0
2 31 VAL QG 2 no 100.0 100.0 17.954 17.956 0.002 29 5 no 0.084 0 0
2 32 LEU QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 32 LEU QD 96 no 0.0 0.0 0.000 0.001 0.001 8 0 no 0.062 0 0
2 33 LEU QB 24 no 100.0 99.9 1.395 1.396 0.001 19 4 no 0.058 0 0
2 33 LEU QD 63 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.064 0 0
2 34 PHE QB 51 no 100.0 100.0 1.139 1.140 0.000 14 2 no 0.039 0 0
2 35 SER QB 122 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.024 0 0
2 36 ARG QB 152 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.074 0 0
2 36 ARG QD 102 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.064 0 0
2 36 ARG QG 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 37 ASP QB 89 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.091 0 0
2 38 LEU QB 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 38 LEU QD 37 no 6.3 0.0 0.000 0.011 0.011 18 6 no 0.174 0 0
2 39 ASP QB 59 no 100.0 100.0 2.102 2.103 0.001 14 5 no 0.074 0 0
2 40 LYS QB 168 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.121 0 0
2 40 LYS QD 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.074 0 0
2 40 LYS QG 133 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.203 0 0
2 41 LEU QB 39 no 100.0 100.0 2.276 2.276 0.000 17 3 no 0.047 0 0
2 41 LEU QD 12 no 96.9 0.0 0.000 0.003 0.003 24 6 no 0.120 0 0
2 42 ILE QG 22 no 100.0 100.0 1.390 1.390 0.000 19 3 no 0.000 0 0
2 43 ASN QB 45 no 100.0 100.0 2.084 2.085 0.000 16 5 no 0.053 0 0
2 43 ASN QD 129 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.046 0 0
2 44 LYS QB 20 no 100.0 100.0 3.488 3.488 0.000 20 7 no 0.053 0 0
2 44 LYS QD 128 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.038 0 0
2 44 LYS QE 151 no 0.0 0.0 0.000 0.002 0.002 4 2 no 0.079 0 0
2 44 LYS QG 86 no 100.0 99.9 1.211 1.213 0.002 10 2 no 0.097 0 0
2 45 PHE QB 35 no 100.0 100.0 1.491 1.491 0.000 18 5 no 0.064 0 0
2 46 MET QB 119 no 100.0 100.0 3.848 3.848 0.000 6 1 no 0.044 0 0
2 46 MET QG 33 no 100.0 0.0 0.000 0.003 0.003 18 4 no 0.100 0 0
2 47 ASN QB 93 no 90.6 99.5 0.469 0.472 0.002 9 2 no 0.115 0 0
2 47 ASN QD 197 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.029 0 0
2 48 VAL QG 108 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.091 0 0
2 49 LYS QB 132 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.147 0 0
2 49 LYS QD 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.039 0 0
2 49 LYS QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 51 LYS QB 106 no 100.0 99.9 0.304 0.304 0.000 7 2 no 0.052 0 0
2 51 LYS QD 121 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.049 0 0
2 51 LYS QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 52 VAL QG 95 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.252 0 0
2 53 HIS QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 54 LYS QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 55 LEU QD 131 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.148 0 0
2 56 GLU QG 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 57 HIS QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 11:40:07 PM GMT (wattos1)