NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447044 |
2ko1   |
16486 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2ko1
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 182
_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 0.542
_Stereo_assign_list.Total_e_high_states 766.509
_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 153 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.114 0 0
1 5 LEU QB 47 no 100.0 99.2 2.293 2.311 0.018 21 6 no 0.205 0 0
1 5 LEU QD 12 no 100.0 100.0 13.711 13.714 0.003 45 13 no 0.082 0 0
1 7 GLY QA 32 no 100.0 100.0 1.219 1.219 0.000 27 12 no 0.014 0 0
1 8 ILE QG 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 9 ARG QG 151 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.138 0 0
1 10 ILE QG 45 no 100.0 100.0 0.326 0.326 0.000 22 4 no 0.000 0 0
1 11 VAL QG 22 no 100.0 99.9 22.030 22.041 0.011 35 4 no 0.130 0 0
1 12 GLY QA 54 no 100.0 100.0 1.486 1.486 0.000 20 8 no 0.037 0 0
1 13 GLU QB 57 no 100.0 99.9 3.922 3.926 0.004 19 5 no 0.079 0 0
1 14 ASP QB 132 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.086 0 0
1 15 LYS QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 16 ASN QB 180 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.084 0 0
1 16 ASN QD 130 no 0.0 0.0 0.000 0.003 0.003 6 0 no 0.115 0 0
1 17 GLY QA 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.025 0 0
1 18 MET QB 96 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.014 0 0
1 18 MET QG 115 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.136 0 0
1 20 ASN QB 114 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 20 ASN QD 55 no 100.0 98.8 0.494 0.500 0.006 19 2 no 0.195 0 0
1 21 GLN QB 74 no 100.0 98.8 1.206 1.221 0.015 16 7 no 0.192 0 0
1 21 GLN QE 40 no 100.0 99.9 4.280 4.283 0.003 24 7 no 0.095 0 0
1 21 GLN QG 36 no 100.0 99.9 2.007 2.009 0.001 26 8 no 0.066 0 0
1 22 ILE QG 61 no 100.0 100.0 0.326 0.326 0.000 18 3 no 0.027 0 0
1 24 GLY QA 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 VAL QG 14 no 100.0 100.0 49.616 49.623 0.008 41 11 no 0.131 0 0
1 26 ILE QG 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 SER QB 113 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.035 0 0
1 28 LYS QB 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 28 LYS QD 161 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.022 0 0
1 28 LYS QG 128 no 0.0 0.0 0.000 0.002 0.002 6 0 no 0.164 0 0
1 29 PHE QB 102 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 32 ASN QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 ASN QD 94 no 35.0 99.8 0.993 0.994 0.002 11 0 no 0.119 0 0
1 33 ILE QG 95 no 95.0 97.6 0.056 0.058 0.001 11 4 no 0.140 0 0
1 34 ARG QD 160 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 37 VAL QG 26 no 100.0 100.0 22.109 22.114 0.005 33 8 no 0.155 0 0
1 38 LEU QD 6 no 100.0 100.0 19.245 19.250 0.005 54 5 no 0.111 0 0
1 39 ASN QD 127 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 42 ASP QB 100 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 43 GLY QA 163 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.086 0 0
1 44 ILE QG 49 no 100.0 99.3 1.920 1.935 0.014 20 2 no 0.165 0 0
1 45 PHE QB 85 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 47 CYS QB 34 no 100.0 99.9 0.794 0.794 0.001 26 5 no 0.057 0 0
1 48 ASN QB 91 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.037 0 0
1 48 ASN QD 93 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.033 0 0
1 49 LEU QB 70 no 100.0 100.0 0.111 0.111 0.000 17 3 no 0.000 0 0
1 49 LEU QD 24 no 100.0 100.0 22.512 22.512 0.000 35 9 no 0.069 0 0
1 50 MET QB 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 50 MET QG 28 no 100.0 99.9 2.120 2.122 0.002 32 12 no 0.069 0 0
1 51 ILE QG 77 no 100.0 99.9 2.666 2.668 0.002 14 2 no 0.078 0 0
1 52 PHE QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 VAL QG 4 no 100.0 99.9 25.158 25.174 0.016 70 16 no 0.126 0 0
1 54 LYS QB 112 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 54 LYS QG 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 55 ASN QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 55 ASN QD 174 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.210 0 0
1 58 LYS QB 117 no 100.0 0.0 0.000 0.001 0.001 8 2 no 0.108 0 0
1 58 LYS QE 182 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.017 0 0
1 58 LYS QG 42 no 100.0 98.3 1.283 1.306 0.023 23 6 no 0.188 0 0
1 59 LEU QB 79 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 59 LEU QD 8 no 100.0 100.0 16.975 16.976 0.000 50 16 no 0.028 0 0
1 62 LEU QB 59 no 100.0 100.0 1.587 1.588 0.000 19 7 no 0.026 0 0
1 62 LEU QD 2 no 100.0 99.9 11.457 11.473 0.016 78 29 no 0.160 0 0
1 63 MET QB 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 63 MET QG 64 no 100.0 100.0 0.933 0.933 0.000 18 4 no 0.018 0 0
1 64 ASP QB 65 no 100.0 99.5 0.903 0.908 0.005 18 5 no 0.148 0 0
1 65 LYS QB 38 no 100.0 99.7 3.431 3.439 0.009 26 11 no 0.134 0 0
1 65 LYS QD 99 no 100.0 0.0 0.000 0.001 0.001 10 2 no 0.064 0 0
1 65 LYS QG 50 no 100.0 100.0 2.026 2.026 0.000 20 5 no 0.021 0 0
1 66 LEU QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 LEU QD 67 no 100.0 100.0 7.629 7.629 0.000 18 8 no 0.000 0 0
1 67 ARG QG 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 68 LYS QB 81 no 100.0 100.0 1.626 1.626 0.000 13 3 no 0.018 0 0
1 68 LYS QD 173 no 0.0 0.0 0.000 0.002 0.002 2 0 no 0.126 0 0
1 68 LYS QG 125 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.035 0 0
1 69 VAL QG 11 no 100.0 100.0 39.667 39.677 0.009 45 13 no 0.179 0 0
1 70 GLN QE 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 GLY QA 72 no 100.0 100.0 1.070 1.071 0.000 16 5 no 0.057 0 0
1 72 VAL QG 20 no 100.0 99.9 18.407 18.417 0.010 38 7 no 0.165 0 0
1 73 PHE QB 83 no 100.0 98.3 1.013 1.030 0.017 13 7 no 0.146 0 0
1 75 VAL QG 30 no 100.0 100.0 33.540 33.551 0.010 30 2 no 0.146 0 0
1 76 GLU QB 118 no 60.0 99.7 0.062 0.062 0.000 7 0 no 0.042 0 0
1 77 ARG QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 77 ARG QG 87 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.038 0 0
1 78 LEU QB 52 no 100.0 100.0 2.726 2.727 0.001 20 7 no 0.073 0 0
1 78 LEU QD 16 no 100.0 100.0 21.849 21.849 0.001 40 13 no 0.050 0 0
1 80 ASN QB 159 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.039 0 0
1 81 LEU QB 104 no 100.0 100.0 0.792 0.792 0.000 10 5 no 0.000 0 0
1 81 LEU QD 18 no 100.0 99.9 13.351 13.358 0.007 39 17 no 0.129 0 0
1 82 GLU QG 111 no 95.0 0.0 0.000 0.008 0.008 8 0 no 0.154 0 0
1 83 HIS QB 89 no 100.0 99.7 1.695 1.701 0.006 12 5 no 0.151 0 0
2 3 ASP QB 143 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.078 0 0
2 5 LEU QB 46 no 100.0 99.2 2.264 2.282 0.018 21 6 no 0.219 0 0
2 5 LEU QD 10 no 100.0 100.0 14.042 14.044 0.003 45 13 no 0.102 0 0
2 7 GLY QA 31 no 100.0 100.0 1.400 1.400 0.000 27 12 no 0.039 0 0
2 8 ILE QG 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 9 ARG QG 141 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.093 0 0
2 10 ILE QG 44 no 100.0 100.0 0.288 0.288 0.000 22 4 no 0.000 0 0
2 11 VAL QG 21 no 100.0 99.9 22.287 22.299 0.012 35 4 no 0.154 0 0
2 12 GLY QA 53 no 100.0 100.0 1.858 1.858 0.000 20 8 no 0.030 0 0
2 13 GLU QB 56 no 100.0 99.9 3.043 3.046 0.003 19 5 no 0.090 0 0
2 14 ASP QB 131 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.098 0 0
2 15 LYS QB 75 no 100.0 99.7 1.386 1.390 0.004 15 5 no 0.144 0 0
2 16 ASN QB 158 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.091 0 0
2 16 ASN QD 124 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.125 0 0
2 17 GLY QA 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 18 MET QB 43 no 100.0 99.8 1.633 1.636 0.003 22 4 no 0.144 0 0
2 18 MET QG 110 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.236 0 0
2 20 ASN QB 109 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 20 ASN QD 60 no 100.0 98.0 0.435 0.444 0.009 18 3 no 0.182 0 0
2 21 GLN QB 73 no 100.0 98.9 1.196 1.209 0.013 16 7 no 0.126 0 0
2 21 GLN QE 39 no 100.0 99.9 4.095 4.099 0.004 24 7 no 0.147 0 0
2 21 GLN QG 35 no 100.0 99.9 1.993 1.994 0.001 26 8 no 0.058 0 0
2 22 ILE QG 63 no 100.0 100.0 0.309 0.309 0.000 18 4 no 0.015 0 0
2 24 GLY QA 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 25 VAL QG 13 no 100.0 100.0 50.659 50.669 0.010 41 11 no 0.147 0 0
2 26 ILE QG 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 27 SER QB 108 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 28 LYS QB 123 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 28 LYS QD 157 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 28 LYS QG 122 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.244 0 0
2 29 PHE QB 101 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
2 32 ASN QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 32 ASN QD 139 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.075 0 0
2 33 ILE QG 156 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.026 0 0
2 34 ARG QD 155 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 37 VAL QG 25 no 100.0 100.0 20.533 20.537 0.004 33 8 no 0.112 0 0
2 38 LEU QD 5 no 100.0 100.0 19.948 19.954 0.006 54 5 no 0.136 0 0
2 39 ASN QD 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 42 ASP QB 98 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.050 0 0
2 43 GLY QA 162 no 100.0 0.0 0.000 0.001 0.001 4 4 no 0.098 0 0
2 44 ILE QG 48 no 100.0 99.1 1.975 1.992 0.017 20 2 no 0.172 0 0
2 45 PHE QB 84 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
2 47 CYS QB 33 no 100.0 99.9 0.961 0.961 0.001 26 5 no 0.059 0 0
2 48 ASN QB 90 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.032 0 0
2 48 ASN QD 92 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.041 0 0
2 49 LEU QB 69 no 100.0 100.0 0.155 0.155 0.000 17 3 no 0.000 0 0
2 49 LEU QD 23 no 100.0 100.0 22.230 22.230 0.000 35 8 no 0.043 0 0
2 50 MET QB 120 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 50 MET QG 27 no 100.0 99.9 2.125 2.128 0.003 32 12 no 0.117 0 0
2 51 ILE QG 76 no 100.0 99.9 2.613 2.615 0.002 14 2 no 0.067 0 0
2 52 PHE QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 53 VAL QG 3 no 100.0 99.9 25.891 25.907 0.016 70 16 no 0.113 0 0
2 54 LYS QB 107 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.001 0 0
2 54 LYS QG 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 55 ASN QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 55 ASN QD 166 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.089 0 0
2 58 LYS QB 116 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
2 58 LYS QE 181 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.046 0 0
2 58 LYS QG 41 no 100.0 98.4 1.277 1.298 0.021 23 6 no 0.205 0 0
2 59 LEU QB 78 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
2 59 LEU QD 7 no 100.0 100.0 18.243 18.244 0.001 50 16 no 0.080 0 0
2 62 LEU QB 58 no 100.0 100.0 1.477 1.477 0.000 19 7 no 0.005 0 0
2 62 LEU QD 1 no 100.0 99.9 9.009 9.021 0.012 78 27 no 0.124 0 0
2 63 MET QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 63 MET QG 62 no 100.0 100.0 0.640 0.640 0.000 18 4 no 0.029 0 0
2 64 ASP QB 68 no 100.0 99.3 0.792 0.798 0.006 17 2 no 0.121 0 0
2 65 LYS QB 37 no 100.0 99.8 3.435 3.444 0.009 26 11 no 0.121 0 0
2 65 LYS QD 97 no 100.0 0.0 0.000 0.002 0.002 10 2 no 0.095 0 0
2 65 LYS QG 106 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 66 LEU QB 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 66 LEU QD 66 no 100.0 100.0 8.233 8.233 0.000 18 8 no 0.000 0 0
2 67 ARG QG 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 68 LYS QB 80 no 100.0 100.0 1.590 1.590 0.000 13 3 no 0.018 0 0
2 68 LYS QD 165 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.137 0 0
2 68 LYS QG 119 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.012 0 0
2 69 VAL QG 9 no 100.0 100.0 40.595 40.607 0.011 45 13 no 0.258 0 0
2 70 GLN QE 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 71 GLY QA 71 no 100.0 100.0 0.768 0.768 0.000 16 5 no 0.026 0 0
2 72 VAL QG 19 no 100.0 99.9 18.678 18.689 0.012 38 7 no 0.140 0 0
2 73 PHE QB 82 no 100.0 98.6 0.967 0.981 0.014 13 7 no 0.152 0 0
2 75 VAL QG 29 no 100.0 100.0 32.437 32.446 0.009 30 2 no 0.152 0 0
2 76 GLU QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 77 ARG QB 133 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.082 0 0
2 77 ARG QG 86 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.109 0 0
2 78 LEU QB 51 no 100.0 99.9 3.101 3.103 0.002 20 7 no 0.109 0 0
2 78 LEU QD 15 no 100.0 100.0 23.055 23.058 0.003 40 13 no 0.098 0 0
2 80 ASN QB 154 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.076 0 0
2 81 LEU QB 103 no 100.0 100.0 0.780 0.780 0.000 10 5 no 0.019 0 0
2 81 LEU QD 17 no 100.0 99.9 13.317 13.325 0.008 39 17 no 0.129 0 0
2 82 GLU QG 105 no 100.0 0.0 0.000 0.006 0.006 8 0 no 0.148 0 0
2 83 HIS QB 88 no 100.0 99.0 1.632 1.648 0.016 12 5 no 0.357 0 0
stop_
save_
Contact the webmaster for help, if required. Saturday, May 4, 2024 6:08:11 AM GMT (wattos1)