NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
466255 |
2krr   |
16646 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2krr
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 184
_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 20
_Stereo_assign_list.Total_e_low_states 0.516
_Stereo_assign_list.Total_e_high_states 239.430
_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 3 GLU QB 181 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.074 0 0
1 4 PRO QB 160 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 4 PRO QD 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 8 PHE QB 130 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 9 ASN QB 33 no 100.0 99.6 1.903 1.910 0.008 16 1 no 0.122 0 0
1 9 ASN QD 2 no 100.0 100.0 4.638 4.639 0.002 29 5 no 0.063 0 0
1 10 LEU QB 41 no 100.0 99.9 3.722 3.725 0.003 15 1 no 0.104 0 0
1 11 PHE QB 52 no 100.0 99.8 3.719 3.724 0.006 14 6 no 0.091 0 0
1 12 VAL QG 17 no 100.0 0.0 0.000 0.111 0.111 20 4 no 0.356 0 0
1 13 GLY QA 21 no 100.0 100.0 2.185 2.185 0.000 19 5 no 0.009 0 0
1 14 ASN QB 20 no 100.0 99.9 0.593 0.594 0.000 20 10 no 0.061 0 0
1 14 ASN QD 11 no 100.0 100.0 3.346 3.346 0.000 22 11 no 0.030 0 0
1 15 LEU QB 43 no 100.0 99.9 1.642 1.644 0.002 15 4 no 0.082 0 0
1 15 LEU QD 36 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.029 0 0
1 16 ASN QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 ASN QD 159 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.049 0 0
1 17 PHE QB 77 no 100.0 100.0 2.929 2.930 0.001 11 1 no 0.114 0 0
1 18 ASN QB 133 no 100.0 100.0 0.906 0.906 0.000 6 2 no 0.028 0 0
1 18 ASN QD 54 no 100.0 100.0 3.912 3.913 0.001 13 2 no 0.086 0 0
1 19 LYS QB 61 no 100.0 100.0 3.755 3.756 0.000 12 0 no 0.057 0 0
1 22 PRO QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 PRO QD 155 no 100.0 100.0 1.641 1.641 0.000 4 0 no 0.000 0 0
1 22 PRO QG 154 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.085 0 0
1 23 GLU QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 LEU QB 70 no 100.0 100.0 2.552 2.552 0.001 12 3 no 0.056 0 0
1 24 LEU QD 16 no 0.0 0.0 0.000 0.006 0.006 20 4 no 0.201 0 0
1 25 LYS QB 108 no 100.0 99.9 0.754 0.755 0.001 7 0 no 0.053 0 0
1 25 LYS QG 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 27 GLY QA 73 no 100.0 100.0 1.364 1.364 0.000 12 4 no 0.000 0 0
1 28 ILE QG 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 30 ASP QB 7 no 100.0 100.0 7.278 7.279 0.001 23 4 no 0.057 0 0
1 31 VAL QG 47 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.008 0 0
1 32 PHE QB 4 no 100.0 100.0 7.976 7.977 0.001 26 9 no 0.054 0 0
1 35 ASN QB 3 no 100.0 99.9 4.563 4.567 0.004 27 12 no 0.114 0 0
1 35 ASN QD 5 no 100.0 100.0 2.341 2.342 0.001 25 8 no 0.051 0 0
1 36 ASP QB 102 no 100.0 100.0 1.318 1.318 0.000 8 2 no 0.029 0 0
1 37 LEU QB 29 no 100.0 100.0 2.642 2.642 0.000 18 6 no 0.013 0 0
1 37 LEU QD 24 no 100.0 100.0 11.088 11.089 0.001 19 9 no 0.047 0 0
1 39 VAL QG 1 no 100.0 100.0 18.857 18.857 0.001 43 6 no 0.039 0 0
1 40 VAL QG 28 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.026 0 0
1 41 ASP QB 128 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.029 0 0
1 42 VAL QG 99 no 100.0 0.0 0.000 0.026 0.026 8 0 no 0.241 0 0
1 43 ARG QB 111 no 100.0 100.0 2.362 2.362 0.000 7 3 no 0.019 0 0
1 45 GLY QA 127 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.067 0 0
1 46 MET QB 135 no 100.0 100.0 0.444 0.444 0.000 5 0 no 0.000 0 0
1 46 MET QG 98 no 0.0 0.0 0.000 0.000 0.000 8 0 no 0.022 0 0
1 48 ARG QB 158 no 100.0 99.8 2.463 2.469 0.006 4 2 no 0.110 0 0
1 49 LYS QB 97 no 100.0 0.0 0.000 0.030 0.030 8 0 no 0.448 0 0
1 50 PHE QB 42 no 100.0 99.9 2.040 2.041 0.002 15 4 no 0.108 0 0
1 51 GLY QA 14 no 100.0 99.9 2.100 2.101 0.002 21 5 no 0.081 0 0
1 52 TYR QB 66 no 100.0 100.0 1.817 1.817 0.000 12 2 no 0.026 0 0
1 53 VAL QG 8 no 100.0 0.0 0.000 0.001 0.001 22 2 no 0.052 0 0
1 54 ASP QB 9 no 100.0 99.9 0.729 0.730 0.001 22 4 no 0.049 0 0
1 55 PHE QB 38 no 100.0 99.9 1.693 1.693 0.001 16 6 no 0.063 0 0
1 56 GLU QB 109 no 100.0 99.9 1.605 1.607 0.002 7 1 no 0.077 0 0
1 57 SER QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 GLU QB 126 no 100.0 100.0 1.816 1.817 0.000 6 0 no 0.058 0 0
1 59 GLU QG 96 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 60 ASP QB 84 no 100.0 100.0 1.671 1.671 0.000 10 3 no 0.029 0 0
1 61 LEU QB 15 no 100.0 99.5 3.142 3.159 0.017 20 4 no 0.157 0 0
1 61 LEU QD 65 no 100.0 0.0 0.000 0.006 0.006 12 2 no 0.166 0 0
1 63 LYS QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 65 LEU QB 101 no 100.0 100.0 1.404 1.404 0.000 8 1 no 0.018 0 0
1 66 GLU QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.044 0 0
1 66 GLU QG 40 no 100.0 99.5 1.506 1.514 0.008 15 1 no 0.121 0 0
1 67 LEU QB 105 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 67 LEU QD 13 no 0.0 0.0 0.000 0.036 0.036 22 14 no 0.431 0 0
1 69 GLY QA 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 LEU QB 31 no 100.0 99.9 1.454 1.454 0.001 17 5 no 0.059 0 0
1 70 LEU QD 53 no 100.0 0.0 0.000 0.001 0.001 14 14 no 0.145 0 0
1 71 LYS QB 95 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.036 0 0
1 71 LYS QD 86 no 100.0 100.0 2.075 2.075 0.000 9 0 no 0.051 0 0
1 71 LYS QG 94 no 0.0 0.0 0.000 0.001 0.001 8 0 no 0.051 0 0
1 72 VAL QG 34 no 0.0 0.0 0.000 0.002 0.002 16 2 no 0.100 0 0
1 73 PHE QB 44 no 100.0 100.0 2.642 2.643 0.000 15 6 no 0.049 0 0
1 74 GLY QA 174 no 100.0 100.0 1.730 1.730 0.000 2 0 no 0.006 0 0
1 75 ASN QB 74 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.013 0 0
1 75 ASN QD 104 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.072 0 0
1 76 GLU QB 69 no 100.0 99.8 2.212 2.216 0.003 12 3 no 0.108 0 0
1 77 ILE QG 56 no 100.0 100.0 0.683 0.683 0.000 13 3 no 0.000 0 0
1 78 LYS QB 39 no 100.0 99.9 5.558 5.561 0.004 16 7 no 0.102 0 0
1 78 LYS QG 132 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 79 LEU QB 57 no 100.0 99.6 0.417 0.418 0.002 13 4 no 0.113 0 0
1 79 LEU QD 72 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.069 0 0
1 80 GLU QB 81 no 100.0 99.6 1.357 1.363 0.006 11 4 no 0.091 0 0
1 81 LYS QB 184 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 82 PRO QB 125 no 100.0 100.0 2.027 2.027 0.000 6 0 no 0.033 0 0
1 82 PRO QD 49 no 100.0 99.9 2.015 2.018 0.003 14 2 no 0.089 0 0
1 82 PRO QG 100 no 100.0 100.0 2.043 2.044 0.001 8 1 no 0.091 0 0
1 84 GLY QA 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 86 ASP QB 173 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.206 0 0
1 89 LYS QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 ARG QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 ASP QB 124 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.133 0 0
1 96 LEU QB 134 no 100.0 100.0 2.119 2.119 0.000 5 0 no 0.066 0 0
1 96 LEU QD 93 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.112 0 0
1 97 LEU QB 18 no 100.0 100.0 10.570 10.573 0.003 20 7 no 0.185 0 0
1 97 LEU QD 27 no 100.0 0.0 0.000 0.001 0.001 18 4 no 0.064 0 0
1 99 LYS QB 37 no 100.0 99.9 0.950 0.951 0.001 16 6 no 0.057 0 0
1 99 LYS QE 103 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.017 0 0
1 99 LYS QG 123 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.026 0 0
1 100 ASN QB 26 no 100.0 100.0 1.360 1.361 0.001 18 4 no 0.074 0 0
1 100 ASN QD 6 no 100.0 99.9 2.243 2.246 0.003 25 10 no 0.079 0 0
1 101 LEU QB 85 no 100.0 100.0 2.141 2.141 0.000 10 8 no 0.015 0 0
1 101 LEU QD 19 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.028 0 0
1 102 PRO QB 22 no 100.0 100.0 2.508 2.509 0.001 19 6 no 0.087 0 0
1 102 PRO QD 10 no 100.0 99.8 1.038 1.040 0.002 22 11 no 0.086 0 0
1 102 PRO QG 51 no 100.0 100.0 2.489 2.490 0.001 14 4 no 0.076 0 0
1 103 TYR QB 80 no 100.0 100.0 1.366 1.367 0.000 11 3 no 0.031 0 0
1 104 LYS QB 110 no 100.0 100.0 2.580 2.580 0.000 7 2 no 0.039 0 0
1 105 VAL QG 71 no 0.0 0.0 0.000 0.002 0.002 12 4 no 0.086 0 0
1 107 GLN QG 92 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 108 ASP QB 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.039 0 0
1 109 GLU QB 122 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.066 0 0
1 110 LEU QB 25 no 100.0 99.9 2.693 2.695 0.002 18 0 no 0.080 0 0
1 111 LYS QB 60 no 100.0 99.9 1.803 1.804 0.001 12 0 no 0.104 0 0
1 111 LYS QG 46 no 100.0 100.0 1.183 1.183 0.000 14 0 no 0.052 0 0
1 112 GLU QB 58 no 100.0 100.0 2.137 2.138 0.001 13 5 no 0.075 0 0
1 112 GLU QG 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.016 0 0
1 113 VAL QG 35 no 100.0 0.0 0.000 0.007 0.007 16 4 no 0.194 0 0
1 114 PHE QB 91 no 100.0 100.0 1.421 1.421 0.001 8 0 no 0.096 0 0
1 115 GLU QB 79 no 100.0 99.6 4.281 4.296 0.015 11 2 no 0.313 0 0
1 116 ASP QB 157 no 100.0 0.0 0.000 0.019 0.019 4 2 no 0.313 0 0
1 119 GLU QB 90 no 100.0 99.8 2.480 2.484 0.004 8 0 no 0.143 0 0
1 119 GLU QG 120 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.084 0 0
1 120 ILE QG 119 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 121 ARG QB 55 no 100.0 99.9 4.555 4.558 0.003 13 3 no 0.139 0 0
1 121 ARG QD 183 no 100.0 0.0 0.000 0.003 0.003 2 2 no 0.139 0 0
1 122 LEU QB 118 no 100.0 0.0 0.000 0.006 0.006 6 0 no 0.136 0 0
1 122 LEU QD 32 no 100.0 0.0 0.000 0.029 0.029 16 0 no 0.244 0 0
1 123 VAL QG 82 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.021 0 0
1 124 SER QB 76 no 100.0 100.0 2.198 2.199 0.001 11 1 no 0.047 0 0
1 125 LYS QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 125 LYS QG 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 126 ASP QB 75 no 100.0 100.0 1.617 1.617 0.000 11 0 no 0.003 0 0
1 127 GLY QA 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 128 LYS QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 128 LYS QD 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.025 0 0
1 129 SER QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 130 LYS QB 63 no 100.0 100.0 4.005 4.007 0.001 12 1 no 0.062 0 0
1 131 GLY QA 30 no 100.0 100.0 4.402 4.403 0.001 17 5 no 0.066 0 0
1 132 ILE QG 117 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.024 0 0
1 134 TYR QB 62 no 100.0 99.9 1.308 1.309 0.001 12 1 no 0.076 0 0
1 135 ILE QG 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 137 PHE QB 48 no 100.0 100.0 1.340 1.340 0.000 14 1 no 0.025 0 0
1 138 LYS QB 78 no 100.0 100.0 1.302 1.302 0.000 11 2 no 0.000 0 0
1 138 LYS QD 64 no 100.0 100.0 3.172 3.172 0.000 12 2 no 0.012 0 0
1 138 LYS QG 87 no 100.0 100.0 3.207 3.207 0.000 9 1 no 0.025 0 0
1 140 GLU QG 116 no 100.0 0.0 0.000 0.010 0.010 6 0 no 0.289 0 0
1 142 ASP QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 GLU QB 107 no 100.0 99.8 1.507 1.510 0.003 7 0 no 0.097 0 0
1 144 GLU QG 89 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.086 0 0
1 145 LYS QG 115 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.062 0 0
1 147 PHE QB 114 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.060 0 0
1 148 GLU QB 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 148 GLU QG 88 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.117 0 0
1 149 GLU QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.055 0 0
1 149 GLU QG 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 GLN QB 68 no 100.0 99.9 4.721 4.726 0.004 12 3 no 0.115 0 0
1 151 GLN QE 67 no 100.0 99.9 1.563 1.564 0.001 12 3 no 0.082 0 0
1 151 GLN QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 154 GLU QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 154 GLU QG 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 155 ILE QG 83 no 100.0 99.4 0.729 0.733 0.004 10 2 no 0.103 0 0
1 156 ASP QB 23 no 100.0 99.5 1.808 1.816 0.008 19 9 no 0.111 0 0
1 158 ARG QB 45 no 100.0 100.0 1.798 1.799 0.001 15 9 no 0.057 0 0
1 158 ARG QD 12 no 0.0 0.0 0.000 0.006 0.006 22 14 no 0.155 0 0
1 159 SER QB 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.024 0 0
1 160 ILE QG 59 no 100.0 100.0 3.060 3.060 0.000 12 0 no 0.028 0 0
1 161 SER QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 162 LEU QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 163 TYR QB 50 no 100.0 100.0 4.000 4.001 0.001 14 3 no 0.049 0 0
1 164 TYR QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 166 GLY QA 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.055 0 0
1 167 GLU QB 182 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 168 PRO QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 168 PRO QD 131 no 100.0 100.0 0.957 0.957 0.000 6 2 no 0.000 0 0
1 169 LYS QB 113 no 100.0 100.0 0.686 0.686 0.000 6 0 no 0.019 0 0
1 169 LYS QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 171 GLU QB 106 no 100.0 96.9 0.987 1.018 0.032 7 0 no 0.547 0 1
1 171 GLU QG 162 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.152 0 0
1 173 LEU QB 161 no 100.0 0.0 0.000 0.008 0.008 2 0 no 0.326 0 0
1 173 LEU QD 112 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.107 0 0
1 174 GLU QG 136 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.022 0 0
stop_
save_
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