NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408741 |
1z00   |
6551 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1z00
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 0.728
_Stereo_assign_list.Total_e_high_states 524.197
_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 ASP QB 165 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.092 0 0
1 4 LEU QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.045 0 0
1 4 LEU QD 164 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.179 0 0
1 5 LEU QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 5 LEU QD 162 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.131 0 0
1 6 MET QG 67 no 100.0 99.8 2.875 2.879 0.005 15 1 no 0.094 0 0
1 7 GLU QB 130 no 100.0 99.9 2.176 2.177 0.001 7 0 no 0.067 0 0
1 7 GLU QG 140 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.107 0 0
1 8 LYS QG 161 no 100.0 100.0 0.830 0.830 0.000 4 0 no 0.051 0 0
1 9 LEU QB 98 no 100.0 99.9 2.252 2.254 0.003 11 3 no 0.094 0 0
1 9 LEU QD 168 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.057 0 0
1 10 GLU QG 109 no 100.0 100.0 2.141 2.141 0.000 10 3 no 0.013 0 0
1 11 GLN QE 85 no 100.0 100.0 0.638 0.639 0.000 13 4 no 0.060 0 0
1 11 GLN QG 84 no 100.0 100.0 4.524 4.525 0.001 13 3 no 0.064 0 0
1 12 ASP QB 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
1 13 PHE QB 70 no 100.0 100.0 2.739 2.739 0.000 14 2 no 0.030 0 0
1 14 VAL QG 107 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 15 SER QB 90 no 100.0 99.5 3.265 3.283 0.018 12 2 no 0.126 0 0
1 16 ARG QD 167 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.065 0 0
1 17 VAL QG 61 no 100.0 0.0 0.000 0.020 0.020 16 0 no 0.267 0 0
1 19 GLU QB 89 no 100.0 100.0 6.214 6.216 0.003 12 2 no 0.065 0 0
1 19 GLU QG 24 no 100.0 99.9 4.824 4.827 0.002 22 3 no 0.084 0 0
1 20 CYS QB 45 no 100.0 99.6 2.911 2.923 0.012 18 3 no 0.126 0 0
1 21 LEU QB 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 LEU QD 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 24 VAL QG 39 no 0.0 0.0 0.000 0.018 0.018 18 0 no 0.193 0 0
1 25 LYS QB 97 no 100.0 100.0 2.296 2.297 0.001 11 0 no 0.075 0 0
1 25 LYS QG 137 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.126 0 0
1 27 VAL QG 122 no 0.0 0.0 0.000 0.000 0.000 8 2 no 0.044 0 0
1 28 ASN QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.047 0 0
1 29 LYS QB 136 no 100.0 100.0 1.303 1.304 0.001 6 0 no 0.066 0 0
1 29 LYS QG 129 no 100.0 100.0 2.078 2.078 0.000 7 0 no 0.049 0 0
1 31 ASP QB 18 no 100.0 100.0 3.451 3.452 0.001 23 5 no 0.084 0 0
1 33 GLN QB 88 no 100.0 100.0 6.150 6.150 0.001 12 1 no 0.041 0 0
1 33 GLN QG 52 no 100.0 99.8 1.277 1.280 0.003 17 1 no 0.084 0 0
1 35 LEU QB 44 no 100.0 99.9 3.890 3.894 0.004 18 3 no 0.083 0 0
1 35 LEU QD 5 no 100.0 100.0 17.077 17.077 0.000 31 8 no 0.036 0 0
1 36 LEU QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 LEU QD 38 no 100.0 0.0 0.000 0.008 0.008 18 0 no 0.132 0 0
1 39 PHE QB 48 no 100.0 100.0 1.266 1.266 0.000 18 4 no 0.026 0 0
1 42 LEU QB 33 no 100.0 99.9 4.044 4.048 0.004 20 6 no 0.095 0 0
1 42 LEU QD 2 no 100.0 100.0 23.942 23.945 0.002 47 7 no 0.065 0 0
1 43 GLU QB 76 no 100.0 100.0 0.800 0.800 0.000 14 5 no 0.025 0 0
1 43 GLU QG 106 no 0.0 0.0 0.000 0.004 0.004 10 2 no 0.081 0 0
1 44 GLN QB 47 no 100.0 99.9 6.606 6.610 0.004 18 4 no 0.077 0 0
1 44 GLN QE 81 no 100.0 99.9 0.782 0.783 0.001 14 9 no 0.063 0 0
1 44 GLN QG 30 no 100.0 100.0 8.721 8.723 0.002 20 5 no 0.053 0 0
1 45 LEU QB 58 no 100.0 100.0 5.880 5.881 0.001 17 3 no 0.053 0 0
1 46 ILE QG 62 no 100.0 99.9 2.217 2.219 0.002 16 1 no 0.074 0 0
1 49 SER QB 158 no 0.0 0.0 0.000 0.004 0.004 4 0 no 0.123 0 0
1 50 ARG QB 27 no 100.0 100.0 6.964 6.965 0.001 21 6 no 0.066 0 0
1 50 ARG QD 74 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.027 0 0
1 50 ARG QG 135 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.051 0 0
1 51 GLU QB 124 no 100.0 100.0 1.489 1.489 0.000 8 3 no 0.030 0 0
1 51 GLU QG 65 no 100.0 99.4 0.545 0.548 0.003 16 4 no 0.085 0 0
1 52 ASP QB 14 no 100.0 99.4 2.476 2.491 0.015 24 3 no 0.197 0 0
1 53 LEU QB 64 no 100.0 100.0 2.714 2.714 0.000 16 4 no 0.031 0 0
1 53 LEU QD 102 no 100.0 0.0 0.000 0.004 0.004 10 0 no 0.139 0 0
1 55 LEU QB 94 no 100.0 100.0 3.033 3.034 0.001 12 5 no 0.037 0 0
1 55 LEU QD 20 no 100.0 99.9 11.417 11.428 0.010 23 8 no 0.106 0 0
1 57 PRO QB 148 no 100.0 99.6 1.215 1.220 0.005 5 0 no 0.107 0 0
1 57 PRO QD 120 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.075 0 0
1 59 LEU QB 49 no 100.0 100.0 1.288 1.288 0.000 18 5 no 0.056 0 0
1 59 LEU QD 4 no 100.0 100.0 54.123 54.148 0.025 40 9 no 0.201 0 0
1 61 PRO QB 147 no 100.0 99.4 0.441 0.444 0.003 5 0 no 0.144 0 0
1 61 PRO QD 119 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 62 GLN QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 62 GLN QE 112 no 100.0 99.9 1.768 1.770 0.002 9 0 no 0.065 0 0
1 62 GLN QG 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 ARG QB 118 no 100.0 100.0 2.039 2.039 0.000 8 0 no 0.026 0 0
1 66 ARG QD 134 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.043 0 0
1 66 ARG QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 67 LEU QB 54 no 100.0 99.9 3.303 3.308 0.005 17 2 no 0.101 0 0
1 67 LEU QD 79 no 100.0 0.0 0.000 0.004 0.004 14 6 no 0.091 0 0
1 68 PHE QB 40 no 100.0 100.0 3.126 3.126 0.000 18 1 no 0.031 0 0
1 69 ASP QB 157 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.081 0 0
1 70 VAL QG 13 no 30.0 0.0 0.000 0.025 0.025 26 0 no 0.317 0 0
1 71 LEU QB 35 no 100.0 99.8 3.025 3.032 0.007 19 3 no 0.269 0 0
1 71 LEU QD 9 no 90.0 0.0 0.000 0.050 0.050 28 6 no 0.259 0 0
1 72 HIS QB 141 no 100.0 99.7 5.097 5.113 0.017 6 1 no 0.169 0 0
1 73 GLU QB 66 no 100.0 100.0 4.495 4.497 0.001 16 9 no 0.072 0 0
1 74 PRO QD 80 no 100.0 99.9 5.762 5.765 0.003 14 7 no 0.078 0 0
1 74 PRO QG 93 no 100.0 100.0 5.224 5.225 0.001 12 4 no 0.060 0 0
1 75 PHE QB 32 no 100.0 99.0 1.303 1.315 0.013 20 6 no 0.127 0 0
1 76 LEU QB 63 no 100.0 99.8 2.592 2.597 0.005 16 3 no 0.115 0 0
1 76 LEU QD 41 no 100.0 0.0 0.000 0.000 0.000 18 2 no 0.034 0 0
1 77 LYS QB 57 no 100.0 100.0 7.647 7.648 0.001 17 3 no 0.065 0 0
1 78 VAL QG 145 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 79 PRO QB 133 no 100.0 100.0 2.255 2.255 0.000 6 0 no 0.031 0 0
1 79 PRO QD 28 no 100.0 99.6 1.180 1.185 0.005 21 7 no 0.136 0 0
1 79 PRO QG 117 no 100.0 100.0 3.246 3.247 0.001 8 0 no 0.046 0 0
1 82 LEU QD 166 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.081 0 0
1 83 GLU QG 179 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.022 0 0
2 3 SER QB 178 no 0.0 0.0 0.000 0.001 0.001 2 0 no 0.078 0 0
2 4 GLU QB 128 no 100.0 99.6 0.406 0.408 0.002 7 0 no 0.147 0 0
2 4 GLU QG 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.053 0 0
2 6 LEU QB 92 no 100.0 99.6 2.746 2.756 0.010 12 4 no 0.166 0 0
2 6 LEU QD 144 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.001 0 0
2 7 PRO QB 170 no 100.0 100.0 0.474 0.474 0.000 3 0 no 0.000 0 0
2 7 PRO QD 68 no 100.0 99.6 1.849 1.857 0.008 15 6 no 0.100 0 0
2 8 GLU QG 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
2 9 SER QB 155 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.105 0 0
2 10 GLU QB 132 no 100.0 100.0 1.183 1.183 0.000 6 0 no 0.000 0 0
2 10 GLU QG 154 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.074 0 0
2 11 LYS QG 83 no 100.0 99.9 8.224 8.228 0.004 13 1 no 0.123 0 0
2 12 TYR QB 75 no 100.0 99.9 2.313 2.315 0.001 14 5 no 0.091 0 0
2 13 ASN QB 6 no 100.0 99.9 3.265 3.268 0.003 31 14 no 0.078 0 0
2 13 ASN QD 10 no 100.0 99.8 3.520 3.529 0.009 28 12 no 0.165 0 0
2 14 PRO QB 146 no 100.0 99.9 0.313 0.314 0.000 5 0 no 0.030 0 0
2 16 PRO QB 51 no 100.0 100.0 3.444 3.444 0.000 18 6 no 0.034 0 0
2 16 PRO QD 78 no 100.0 100.0 4.335 4.335 0.000 14 6 no 0.006 0 0
2 17 GLN QE 15 no 100.0 100.0 9.873 9.877 0.004 24 6 no 0.100 0 0
2 17 GLN QG 34 no 100.0 99.9 2.487 2.489 0.002 19 3 no 0.058 0 0
2 18 ASP QB 26 no 100.0 99.3 3.635 3.660 0.025 21 2 no 0.209 0 0
2 20 LEU QB 19 no 100.0 100.0 6.432 6.435 0.003 23 8 no 0.076 0 0
2 20 LEU QD 95 no 100.0 0.0 0.000 0.003 0.003 12 6 no 0.086 0 0
2 21 LEU QB 169 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 21 LEU QD 125 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 22 LYS QB 113 no 100.0 99.3 3.804 3.832 0.028 9 1 no 0.209 0 0
2 22 LYS QD 123 no 100.0 100.0 0.520 0.520 0.000 8 3 no 0.000 0 0
2 22 LYS QG 96 no 100.0 100.0 2.878 2.878 0.000 11 0 no 0.041 0 0
2 23 MET QG 12 no 100.0 99.9 4.383 4.386 0.003 27 8 no 0.086 0 0
2 24 PRO QB 108 no 100.0 99.9 5.194 5.197 0.003 10 3 no 0.099 0 0
2 24 PRO QD 101 no 100.0 100.0 0.865 0.865 0.000 10 0 no 0.032 0 0
2 24 PRO QG 82 no 100.0 99.9 2.350 2.352 0.001 13 1 no 0.052 0 0
2 26 VAL QG 91 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.027 0 0
2 27 ASN QB 114 no 100.0 99.7 5.847 5.865 0.018 9 2 no 0.152 0 0
2 27 ASN QD 69 no 100.0 99.9 6.641 6.647 0.006 15 7 no 0.102 0 0
2 29 LYS QB 126 no 100.0 100.0 4.616 4.618 0.002 8 5 no 0.062 0 0
2 29 LYS QG 105 no 100.0 98.7 1.524 1.544 0.020 10 1 no 0.159 0 0
2 30 ASN QB 11 no 100.0 99.9 2.906 2.909 0.003 27 8 no 0.097 0 0
2 30 ASN QD 22 no 100.0 99.9 4.137 4.143 0.006 23 13 no 0.147 0 0
2 31 CYS QB 87 no 100.0 0.0 0.000 0.001 0.001 12 0 no 0.118 0 0
2 32 ARG QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 32 ARG QD 111 no 100.0 99.1 2.055 2.074 0.018 9 0 no 0.217 0 0
2 34 LEU QB 17 no 100.0 99.9 2.803 2.806 0.003 23 4 no 0.072 0 0
2 34 LEU QD 31 no 100.0 0.0 0.000 0.004 0.004 20 6 no 0.079 0 0
2 35 MET QB 50 no 100.0 99.9 0.432 0.432 0.001 18 6 no 0.053 0 0
2 35 MET QG 37 no 100.0 99.7 1.587 1.591 0.004 18 0 no 0.103 0 0
2 36 HIS QB 86 no 100.0 99.9 7.852 7.857 0.005 12 0 no 0.094 0 0
2 37 HIS QB 116 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.048 0 0
2 38 VAL QG 46 no 100.0 0.0 0.000 0.002 0.002 18 4 no 0.059 0 0
2 39 LYS QB 53 no 100.0 100.0 7.835 7.836 0.001 17 2 no 0.042 0 0
2 39 LYS QG 153 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.052 0 0
2 40 ASN QB 60 no 100.0 100.0 3.327 3.328 0.001 17 4 no 0.043 0 0
2 40 ASN QD 56 no 100.0 100.0 1.140 1.140 0.000 17 3 no 0.055 0 0
2 41 ILE QG 23 no 100.0 99.8 4.322 4.331 0.009 22 2 no 0.276 0 0
2 43 GLU QB 25 no 100.0 99.6 5.943 5.965 0.022 22 5 no 0.178 0 0
2 43 GLU QG 143 no 100.0 0.0 0.000 0.002 0.002 6 2 no 0.086 0 0
2 44 LEU QB 36 no 100.0 100.0 3.127 3.127 0.000 19 6 no 0.005 0 0
2 44 LEU QD 3 no 100.0 100.0 30.530 30.539 0.009 41 10 no 0.081 0 0
2 47 LEU QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 49 GLN QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 49 GLN QE 7 no 100.0 99.7 2.130 2.136 0.006 30 9 no 0.117 0 0
2 49 GLN QG 55 no 100.0 99.8 3.704 3.713 0.009 17 3 no 0.095 0 0
2 50 ASP QB 151 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.088 0 0
2 51 GLU QB 104 no 100.0 100.0 2.330 2.330 0.000 10 1 no 0.034 0 0
2 51 GLU QG 150 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.082 0 0
2 52 LEU QB 43 no 100.0 99.3 1.644 1.656 0.012 18 3 no 0.133 0 0
2 52 LEU QD 1 no 100.0 99.9 39.927 39.974 0.046 48 6 no 0.195 0 0
2 55 ILE QG 100 no 100.0 100.0 1.078 1.078 0.000 10 0 no 0.023 0 0
2 56 LEU QB 77 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.018 0 0
2 56 LEU QD 16 no 100.0 0.0 0.000 0.000 0.000 24 14 no 0.017 0 0
2 58 ASN QB 73 no 0.0 0.0 0.000 0.012 0.012 14 4 no 0.177 0 0
2 58 ASN QD 149 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.098 0 0
2 61 ASN QB 8 no 100.0 100.0 3.816 3.818 0.002 29 10 no 0.058 0 0
2 61 ASN QD 21 no 100.0 99.7 3.276 3.287 0.011 23 10 no 0.102 0 0
2 63 LYS QB 72 no 100.0 100.0 4.854 4.854 0.000 14 4 no 0.031 0 0
2 63 LYS QG 103 no 100.0 100.0 4.465 4.466 0.001 10 1 no 0.057 0 0
2 64 GLN QB 59 no 100.0 100.0 3.998 4.000 0.002 17 4 no 0.068 0 0
2 64 GLN QE 29 no 100.0 100.0 3.609 3.610 0.001 21 8 no 0.055 0 0
2 64 GLN QG 42 no 100.0 100.0 7.740 7.740 0.000 18 3 no 0.069 0 0
2 65 LEU QD 115 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.025 0 0
2 66 TYR QB 142 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
2 67 ASP QB 127 no 100.0 99.9 0.484 0.484 0.000 7 0 no 0.041 0 0
2 68 PHE QB 121 no 100.0 99.8 0.654 0.655 0.001 8 2 no 0.061 0 0
2 69 ILE QG 71 no 100.0 100.0 1.736 1.736 0.000 14 4 no 0.010 0 0
2 72 SER QB 99 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.057 0 0
2 73 PHE QB 110 no 100.0 99.9 1.970 1.972 0.002 9 0 no 0.096 0 0
2 76 VAL QG 131 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 77 VAL QG 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.028 0 0
2 79 LYS QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.027 0 0
2 81 LYS QB 172 no 0.0 0.0 0.000 0.001 0.001 2 0 no 0.093 0 0
2 81 LYS QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.060 0 0
stop_
save_
Contact the webmaster for help, if required. Thursday, May 9, 2024 4:52:54 AM GMT (wattos1)