NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485157 |
2jzb   |
15614 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2jzb
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 184
_Stereo_assign_list.Swap_count 40
_Stereo_assign_list.Swap_percentage 21.7
_Stereo_assign_list.Deassign_count 33
_Stereo_assign_list.Deassign_percentage 17.9
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 73.039
_Stereo_assign_list.Total_e_high_states 221.315
_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 19 PHE QB 82 no 50.0 43.9 1.336 3.045 1.709 14 6 yes 1.260 2 9
1 20 ASP QB 88 yes 95.0 88.4 0.548 0.620 0.072 13 4 no 0.652 0 1
1 21 PRO QB 113 yes 100.0 99.9 0.150 0.150 0.000 8 5 no 0.000 0 0
1 21 PRO QD 139 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 22 ILE QG 131 no 30.0 96.8 0.576 0.595 0.019 6 1 no 0.401 0 0
1 23 LEU QD 48 no 70.0 32.0 1.278 3.994 2.716 24 10 yes 1.879 6 10
1 24 LEU QB 137 yes 100.0 75.1 0.765 1.018 0.253 6 3 no 0.000 0 0
1 24 LEU QD 39 yes 75.0 75.6 6.034 7.983 1.948 27 9 yes 2.297 10 10
1 25 ARG QB 142 no 100.0 100.0 0.004 0.004 0.000 5 0 no 0.157 0 0
1 25 ARG QD 157 no 30.0 14.3 0.071 0.491 0.421 4 3 yes 1.277 6 8
1 25 ARG QG 180 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 26 PRO QB 126 no 100.0 100.0 0.019 0.019 0.000 6 0 no 0.297 0 0
1 26 PRO QD 145 yes 100.0 99.9 0.277 0.277 0.000 5 1 no 0.065 0 0
1 26 PRO QG 171 no 100.0 96.6 3.003 3.108 0.105 2 1 no 0.002 0 0
1 27 VAL QG 30 no 65.0 13.1 0.236 1.808 1.571 30 5 yes 1.317 3 17
1 28 ASP QB 125 no 70.0 94.2 0.301 0.319 0.019 6 0 no 0.602 0 1
1 29 ASP QB 107 no 80.0 97.5 0.001 0.001 0.000 8 0 no 0.131 0 0
1 30 LEU QB 184 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 30 LEU QD 72 yes 80.0 88.2 0.700 0.793 0.094 16 4 no 0.932 0 2
1 32 LEU QB 179 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 32 LEU QD 73 no 70.0 40.2 0.312 0.776 0.464 16 6 yes 1.318 7 16
1 34 VAL QG 52 yes 100.0 100.0 3.200 3.200 0.000 22 6 no 0.012 0 0
1 35 ARG QB 130 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 35 ARG QG 108 no 75.0 72.9 0.165 0.226 0.061 8 1 no 0.513 0 3
1 38 ASN QB 89 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.011 0 0
1 38 ASN QD 101 no 100.0 100.0 1.986 1.986 0.000 10 8 no 0.012 0 0
1 39 CYS QB 136 no 10.0 100.0 0.001 0.001 0.000 6 3 no 0.000 0 0
1 40 LEU QB 161 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 40 LEU QD 162 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 41 LYS QD 135 yes 85.0 72.5 0.237 0.327 0.090 6 3 no 0.318 0 0
1 41 LYS QE 173 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 41 LYS QG 155 yes 95.0 71.7 0.501 0.699 0.198 4 2 no 0.000 0 0
1 43 GLU QB 144 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 43 GLU QG 129 no 5.0 69.8 0.038 0.055 0.016 6 1 no 0.451 0 0
1 45 ILE QG 165 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 46 HIS QB 117 no 45.0 1.7 0.013 0.746 0.733 7 2 yes 0.880 0 14
1 47 TYR QB 151 no 45.0 100.0 0.008 0.008 0.000 4 0 no 0.000 0 0
1 49 GLY QA 114 no 100.0 98.8 0.010 0.010 0.000 8 6 no 0.000 0 0
1 50 ASP QB 134 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 51 LEU QB 154 yes 100.0 100.0 0.519 0.519 0.000 4 2 no 0.000 0 0
1 51 LEU QD 112 no 90.0 89.0 2.595 2.916 0.321 8 4 no 0.917 0 4
1 52 VAL QG 54 yes 100.0 95.5 4.504 4.714 0.210 22 10 no 0.782 0 3
1 53 GLN QB 96 yes 100.0 88.5 2.575 2.910 0.336 11 4 yes 1.751 3 6
1 53 GLN QE 183 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 53 GLN QG 111 yes 100.0 100.0 0.441 0.441 0.000 8 4 no 0.000 0 0
1 54 ARG QB 104 no 100.0 99.9 0.042 0.042 0.000 9 5 no 0.917 0 1
1 54 ARG QD 81 yes 95.0 79.8 0.114 0.143 0.029 14 5 no 0.012 0 0
1 54 ARG QG 152 yes 100.0 100.0 0.530 0.530 0.000 4 1 no 0.000 0 0
1 56 GLU QB 164 yes 80.0 67.3 0.425 0.632 0.206 3 2 no 0.707 0 3
1 56 GLU QG 178 no 45.0 12.2 0.072 0.589 0.517 1 0 yes 1.194 6 10
1 57 VAL QG 75 yes 100.0 100.0 1.414 1.414 0.000 15 1 no 0.018 0 0
1 58 GLU QB 141 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 59 LEU QB 182 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 59 LEU QD 80 no 60.0 43.6 1.513 3.466 1.954 14 3 yes 1.970 21 49
1 60 LEU QD 103 no 60.0 59.3 0.310 0.522 0.212 9 2 no 0.957 0 7
1 61 LYS QG 78 no 100.0 100.0 0.002 0.002 0.000 14 1 no 0.154 0 0
1 63 PRO QB 86 no 100.0 100.0 1.050 1.050 0.000 13 3 no 0.024 0 0
1 63 PRO QD 124 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 64 ASN QB 123 no 100.0 100.0 0.036 0.036 0.000 6 0 no 0.407 0 0
1 64 ASN QD 110 no 5.0 100.0 0.001 0.001 0.000 8 3 no 0.000 0 0
1 65 LEU QB 150 no 45.0 62.9 0.019 0.031 0.011 4 0 no 0.433 0 0
1 65 LEU QD 53 no 55.0 21.6 0.627 2.909 2.282 22 8 yes 1.977 21 29
1 66 GLY QA 140 no 25.0 100.0 0.001 0.001 0.000 5 0 no 0.000 0 0
1 67 LYS QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 LYS QD 122 no 30.0 100.0 0.003 0.003 0.000 6 0 no 0.001 0 0
1 70 LEU QB 120 no 70.0 78.8 0.802 1.017 0.215 7 4 no 0.957 0 7
1 72 GLU QB 109 yes 100.0 100.0 0.233 0.233 0.000 8 3 no 0.000 0 0
1 72 GLU QG 138 yes 90.0 89.8 0.367 0.409 0.042 6 4 no 0.356 0 0
1 74 LYS QB 160 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 74 LYS QD 133 no 55.0 100.0 0.004 0.004 0.000 6 2 no 0.000 0 0
1 74 LYS QE 181 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 74 LYS QG 128 no 95.0 92.6 0.033 0.036 0.003 6 1 no 0.522 0 1
1 75 ASP QB 84 yes 80.0 98.9 0.296 0.300 0.003 13 2 no 0.158 0 0
1 76 VAL QG 38 yes 100.0 96.4 14.831 15.385 0.554 28 10 yes 1.583 2 5
1 77 LEU QB 146 no 40.0 98.2 0.192 0.196 0.003 5 2 no 0.142 0 0
1 77 LEU QD 102 no 65.0 64.8 0.622 0.959 0.338 9 2 yes 1.789 8 17
1 79 SER QB 159 no 70.0 42.5 0.289 0.679 0.390 3 0 yes 1.167 7 14
1 80 ARG QB 163 no 100.0 100.0 0.008 0.008 0.000 3 2 no 0.147 0 0
1 80 ARG QD 148 yes 95.0 94.4 0.154 0.163 0.009 5 3 no 0.411 0 0
1 81 GLY QA 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 82 LEU QB 156 no 70.0 42.2 0.446 1.058 0.612 4 3 no 0.433 0 0
1 82 LEU QD 85 yes 80.0 55.6 0.553 0.995 0.442 13 3 yes 1.492 2 5
1 83 SER QB 127 no 25.0 84.4 0.013 0.015 0.002 6 1 no 0.065 0 0
1 84 LEU QB 168 yes 100.0 100.0 0.139 0.139 0.000 2 0 no 0.008 0 0
1 84 LEU QD 116 no 55.0 61.7 0.406 0.659 0.252 7 2 yes 2.303 3 8
1 85 GLY QA 99 yes 95.0 98.8 1.130 1.144 0.014 10 1 no 0.522 0 1
1 86 MET QB 143 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 86 MET QG 91 no 100.0 0.0 0.000 0.000 0.000 11 1 no 0.037 0 0
1 87 ARG QB 177 no 100.0 100.0 0.903 0.903 0.000 1 0 no 0.022 0 0
1 87 ARG QD 132 no 25.0 55.2 0.026 0.048 0.021 6 2 no 0.445 0 0
1 87 ARG QG 119 yes 95.0 29.1 0.375 1.288 0.913 7 3 no 0.000 0 0
1 88 LEU QB 115 no 70.0 82.4 0.276 0.336 0.059 7 2 no 0.742 0 1
1 88 LEU QD 60 no 70.0 62.8 2.852 4.543 1.690 21 9 yes 1.583 27 51
1 89 GLU QB 121 no 5.0 100.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 90 ASN QB 118 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.000 0 0
1 90 ASN QD 147 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 91 TRP QB 158 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 92 PRO QB 176 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 93 PRO QB 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 93 PRO QG 175 yes 100.0 100.0 1.931 1.931 0.000 1 0 no 0.031 0 0
1 95 SER QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 ILE QG 106 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 98 ASP QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 GLU QB 174 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 6 ASP QB 100 no 100.0 0.0 0.000 0.000 0.000 10 7 no 0.000 0 0
2 7 ASN QD 45 no 100.0 100.0 0.240 0.240 0.000 25 6 no 0.003 0 0
2 8 LYS QB 66 no 100.0 0.0 0.000 0.002 0.002 19 12 no 0.119 0 0
2 8 LYS QG 172 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 9 PRO QB 16 no 100.0 100.0 2.248 2.248 0.000 39 31 no 0.010 0 0
2 9 PRO QD 63 no 100.0 95.1 0.014 0.015 0.001 21 16 no 0.342 0 0
2 9 PRO QG 19 no 80.0 54.2 0.296 0.547 0.251 35 23 no 0.000 0 0
2 12 ASP QB 70 no 100.0 82.8 0.238 0.287 0.049 17 10 no 0.681 0 1
2 13 LEU QB 61 no 100.0 100.0 0.500 0.500 0.000 21 13 no 0.020 0 0
2 13 LEU QD 6 no 55.0 50.9 2.458 4.832 2.374 69 53 yes 1.820 15 38
2 14 LEU QB 21 no 95.0 99.9 0.164 0.164 0.000 34 24 no 0.030 0 0
2 14 LEU QD 8 yes 75.0 65.4 2.596 3.968 1.372 58 28 yes 1.863 11 17
2 15 ASN QB 49 yes 80.0 91.8 0.796 0.867 0.071 24 11 no 0.681 0 2
2 15 ASN QD 83 no 25.0 100.0 0.341 0.341 0.000 14 7 no 0.002 0 0
2 16 LEU QB 15 no 100.0 100.0 0.867 0.867 0.000 41 31 no 0.010 0 0
2 16 LEU QD 1 no 95.0 92.9 2.177 2.345 0.168 103 87 yes 1.187 1 3
2 17 GLU QB 64 yes 100.0 100.0 0.105 0.105 0.000 20 9 no 0.000 0 0
2 17 GLU QG 153 no 70.0 90.5 0.525 0.580 0.055 4 2 no 0.513 0 1
2 18 GLY QA 74 no 100.0 0.0 0.000 0.717 0.717 16 8 no 0.000 0 0
2 19 VAL QG 3 no 100.0 100.0 22.380 22.380 0.000 75 51 no 0.008 0 0
2 20 ASP QB 42 no 15.0 69.1 0.002 0.003 0.001 26 16 no 0.036 0 0
2 21 ARG QB 40 no 100.0 57.2 0.001 0.002 0.001 27 19 no 0.035 0 0
2 21 ARG QD 56 no 70.0 87.0 0.006 0.007 0.001 22 14 no 0.066 0 0
2 21 ARG QG 37 yes 100.0 99.8 0.710 0.712 0.002 29 14 no 0.035 0 0
2 22 ASP QB 65 no 100.0 78.4 0.073 0.093 0.020 19 9 no 0.773 0 3
2 23 LEU QD 11 no 65.0 29.0 5.954 20.557 14.604 50 24 yes 2.512 71 75
2 26 LYS QB 17 yes 75.0 67.5 2.715 4.021 1.305 38 25 no 0.318 0 0
2 26 LYS QD 22 yes 75.0 44.1 1.932 4.383 2.451 34 27 yes 1.591 3 7
2 26 LYS QG 34 no 25.0 95.9 0.026 0.027 0.001 30 22 no 0.052 0 0
2 27 LEU QB 43 no 25.0 13.5 0.005 0.038 0.033 26 20 no 0.000 0 0
2 27 LEU QD 13 no 55.0 34.3 0.603 1.760 1.157 46 38 yes 1.964 9 10
2 30 ARG QB 35 no 70.0 6.5 0.000 0.001 0.001 30 23 no 0.030 0 0
2 30 ARG QD 20 no 10.0 47.7 0.109 0.229 0.120 35 26 no 0.031 0 0
2 30 ARG QG 50 yes 100.0 99.7 0.532 0.533 0.001 24 14 no 0.031 0 0
2 31 GLY QA 67 no 5.0 98.3 0.000 0.000 0.000 18 8 no 0.003 0 0
2 32 VAL QG 4 yes 100.0 100.0 6.355 6.355 0.000 73 47 no 0.001 0 0
2 33 CYS QB 41 no 80.0 43.0 0.098 0.227 0.130 26 11 no 0.870 0 5
2 35 LEU QB 31 no 60.0 100.0 0.170 0.170 0.000 30 18 no 0.024 0 0
2 35 LEU QD 5 no 55.0 13.1 0.282 2.155 1.873 69 39 yes 1.591 6 22
2 36 GLU QB 58 no 60.0 65.8 3.040 4.616 1.576 22 16 yes 1.703 47 55
2 36 GLU QG 62 no 55.0 54.3 0.493 0.908 0.416 21 16 no 0.931 0 15
2 37 ASP QB 25 no 100.0 87.1 2.992 3.436 0.443 33 21 no 0.931 0 8
2 38 LEU QB 23 no 100.0 0.0 0.000 0.000 0.000 34 32 no 0.000 0 0
2 38 LEU QD 2 no 45.0 9.1 0.367 4.030 3.664 100 76 yes 2.149 31 46
2 40 GLU QB 77 no 100.0 0.0 0.000 0.000 0.000 15 15 no 0.000 0 0
2 40 GLU QG 105 no 100.0 0.0 0.000 0.000 0.000 9 9 no 0.000 0 0
2 41 GLN QB 90 no 100.0 0.0 0.000 0.000 0.000 12 12 no 0.000 0 0
2 41 GLN QE 69 no 55.0 3.1 0.101 3.209 3.108 17 10 no 0.002 0 0
2 41 GLN QG 28 no 5.0 100.0 0.000 0.000 0.000 32 29 no 0.000 0 0
2 42 GLY QA 47 no 100.0 90.3 3.841 4.253 0.412 24 7 no 0.874 0 1
2 43 ILE QG 87 no 30.0 100.0 0.005 0.005 0.000 13 4 no 0.000 0 0
2 44 ASP QB 79 yes 75.0 89.5 0.514 0.575 0.060 14 2 no 0.874 0 2
2 46 LEU QD 7 no 50.0 43.0 3.197 7.438 4.240 62 51 yes 2.158 47 83
2 49 ILE QG 46 yes 100.0 68.7 0.731 1.063 0.333 25 11 no 0.000 0 0
2 50 GLU QB 57 no 30.0 35.2 0.002 0.004 0.003 22 15 no 0.235 0 0
2 51 GLY QA 95 no 100.0 89.3 0.491 0.550 0.059 11 4 no 0.020 0 0
2 52 LEU QB 32 yes 100.0 73.3 1.971 2.689 0.719 30 19 no 0.031 0 0
2 52 LEU QD 14 no 75.0 46.3 4.033 8.702 4.669 45 22 yes 2.391 18 30
2 55 GLU QB 26 no 100.0 97.2 0.022 0.022 0.001 32 19 no 0.450 0 0
2 55 GLU QG 44 no 25.0 98.3 0.054 0.055 0.001 26 21 no 0.035 0 0
2 56 LYS QB 9 no 25.0 64.6 0.428 0.662 0.235 58 46 yes 1.951 4 4
2 56 LYS QD 18 no 90.0 46.0 0.428 0.931 0.503 36 28 no 0.001 0 0
2 56 LYS QE 27 yes 85.0 75.7 0.502 0.664 0.162 32 25 yes 1.027 1 3
2 56 LYS QG 12 no 10.0 0.0 0.000 0.874 0.874 48 27 yes 2.063 4 8
2 58 GLY QA 51 no 100.0 100.0 0.002 0.002 0.000 22 3 no 0.000 0 0
2 60 LEU QB 33 no 10.0 40.6 0.001 0.003 0.002 30 22 no 0.097 0 0
2 60 LEU QD 10 no 45.0 24.0 0.730 3.044 2.314 53 43 yes 1.529 29 53
2 61 ILE QG 29 no 100.0 0.0 0.000 0.000 0.000 31 23 no 0.000 0 0
2 62 MET QG 92 no 100.0 0.0 0.000 0.000 0.000 11 2 no 0.000 0 0
2 65 ARG QB 94 no 100.0 0.0 0.000 0.000 0.000 11 4 no 0.000 0 0
2 65 ARG QG 68 no 40.0 99.2 0.238 0.240 0.002 18 14 no 0.000 0 0
2 66 ASN QB 36 no 15.0 29.4 0.000 0.001 0.001 29 7 no 0.030 0 0
2 66 ASN QD 76 no 100.0 100.0 1.847 1.847 0.000 15 6 no 0.013 0 0
2 67 ILE QG 24 yes 100.0 98.2 0.533 0.543 0.010 33 19 no 0.014 0 0
2 68 CYS QB 55 no 45.0 66.8 0.691 1.034 0.343 22 11 yes 0.971 0 10
2 70 PHE QB 98 no 10.0 96.5 0.022 0.023 0.001 10 1 no 0.664 0 1
2 71 GLY QA 71 no 85.0 99.3 0.024 0.024 0.000 16 1 no 0.393 0 0
2 72 ASP QB 97 no 5.0 99.8 0.012 0.012 0.000 11 7 no 0.018 0 0
2 73 GLU QB 93 no 0.0 0.0 0.000 0.001 0.001 11 4 no 0.031 0 0
2 73 GLU QG 59 no 100.0 14.8 0.000 0.000 0.000 22 19 no 0.006 0 0
stop_
save_
Contact the webmaster for help, if required. Friday, June 7, 2024 12:17:43 AM GMT (wattos1)