NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
457354 |
2kqn   |
16607 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kqn
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 238
_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 0.561
_Stereo_assign_list.Total_e_high_states 167.265
_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 164 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.094 0 0
1 4 ILE QG 74 no 100.0 99.7 4.322 4.336 0.014 12 5 no 0.178 0 0
1 5 GLN QB 163 no 100.0 0.0 0.000 0.016 0.016 6 0 no 0.188 0 0
1 5 GLN QG 192 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 6 MET QG 122 no 100.0 100.0 0.181 0.181 0.000 9 0 no 0.025 0 0
1 8 GLN QB 121 no 70.0 96.3 0.078 0.081 0.003 9 0 no 0.127 0 0
1 8 GLN QE 12 no 100.0 99.9 0.903 0.903 0.001 20 3 no 0.103 0 0
1 8 GLN QG 42 no 95.0 99.6 0.362 0.363 0.001 13 0 no 0.128 0 0
1 10 PRO QB 232 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 10 PRO QD 110 no 20.0 95.9 0.009 0.009 0.000 10 4 no 0.066 0 0
1 10 PRO QG 150 no 85.0 100.0 0.078 0.078 0.000 7 3 no 0.010 0 0
1 13 LEU QB 118 no 100.0 100.0 1.454 1.455 0.000 10 6 no 0.066 0 0
1 13 LEU QD 46 no 100.0 99.9 7.815 7.821 0.006 13 5 no 0.101 0 0
1 16 SER QB 231 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 VAL QG 109 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.107 0 0
1 18 GLY QA 204 no 35.0 100.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 19 ASP QB 106 no 15.0 83.7 0.003 0.004 0.001 10 2 no 0.085 0 0
1 20 ARG QB 162 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 20 ARG QG 191 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.080 0 0
1 21 VAL QG 98 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.004 0 0
1 23 ILE QG 134 no 100.0 100.0 0.787 0.787 0.000 8 1 no 0.013 0 0
1 25 CYS QB 16 no 45.0 96.7 0.189 0.195 0.006 18 7 no 0.136 0 0
1 26 GLN QB 105 no 100.0 100.0 0.107 0.107 0.000 10 2 no 0.000 0 0
1 26 GLN QE 200 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 26 GLN QG 64 no 100.0 100.0 3.195 3.196 0.001 12 2 no 0.057 0 0
1 29 GLN QB 73 no 90.0 99.1 0.078 0.079 0.001 12 5 no 0.105 0 0
1 29 GLN QE 154 no 20.0 98.9 0.075 0.076 0.001 7 5 no 0.105 0 0
1 29 GLN QG 174 no 100.0 99.9 0.740 0.740 0.001 5 0 no 0.095 0 0
1 30 ASP QB 230 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 ASN QB 130 no 15.0 99.2 0.007 0.007 0.000 8 0 no 0.030 0 0
1 32 ASN QD 238 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 33 ASN QD 199 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.025 0 0
1 34 TYR QB 86 no 85.0 100.0 0.007 0.007 0.000 11 0 no 0.000 0 0
1 35 LEU QB 85 no 75.0 99.9 0.116 0.116 0.000 11 0 no 0.030 0 0
1 35 LEU QD 8 no 100.0 0.0 0.000 0.016 0.016 24 10 no 0.168 0 0
1 36 ILE QG 63 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.061 0 0
1 37 TRP QB 60 no 100.0 100.0 1.943 1.943 0.000 12 0 no 0.000 0 0
1 38 TYR QB 70 no 100.0 99.8 3.062 3.067 0.006 12 4 no 0.120 0 0
1 39 GLN QB 44 no 80.0 96.6 0.047 0.049 0.002 13 2 no 0.118 0 0
1 39 GLN QE 229 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 40 GLN QE 117 no 100.0 0.0 0.000 0.007 0.007 10 6 no 0.131 0 0
1 40 GLN QG 190 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 41 LYS QB 142 no 95.0 99.7 0.199 0.200 0.001 8 4 no 0.075 0 0
1 41 LYS QE 189 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.255 0 0
1 42 PRO QD 152 no 35.0 98.5 0.033 0.033 0.000 7 4 no 0.075 0 0
1 44 GLN QB 194 no 100.0 100.0 0.000 0.000 0.000 4 1 no 0.053 0 0
1 44 GLN QE 180 no 45.0 99.7 0.107 0.107 0.000 5 3 no 0.050 0 0
1 46 PRO QB 48 no 90.0 99.2 0.941 0.949 0.008 13 6 no 0.131 0 0
1 46 PRO QD 202 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.007 0 0
1 46 PRO QG 188 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.031 0 0
1 47 LYS QB 116 no 100.0 99.7 1.183 1.186 0.003 10 6 no 0.089 0 0
1 47 LYS QD 144 no 100.0 0.0 0.000 0.003 0.003 8 6 no 0.089 0 0
1 47 LYS QE 140 no 85.0 99.8 0.187 0.188 0.000 8 3 no 0.037 0 0
1 47 LYS QG 228 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 48 LEU QD 30 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 49 LEU QD 29 no 0.0 0.0 0.000 0.001 0.001 16 4 no 0.054 0 0
1 50 ILE QG 38 no 100.0 98.4 0.201 0.205 0.003 14 0 no 0.135 0 0
1 51 TYR QB 10 no 100.0 100.0 1.703 1.703 0.000 21 11 no 0.038 0 0
1 52 ASP QB 36 no 100.0 97.1 0.662 0.681 0.019 15 2 no 0.251 0 0
1 56 LEU QB 68 no 100.0 100.0 1.196 1.196 0.000 12 3 no 0.000 0 0
1 56 LEU QD 28 no 100.0 0.0 0.000 0.003 0.003 16 4 no 0.078 0 0
1 57 GLU QB 14 no 100.0 100.0 2.354 2.354 0.000 18 4 no 0.038 0 0
1 57 GLU QG 170 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 60 VAL QG 2 no 100.0 100.0 18.081 18.087 0.007 40 17 no 0.110 0 0
1 61 PRO QB 102 no 100.0 100.0 1.527 1.527 0.000 10 1 no 0.019 0 0
1 61 PRO QD 32 no 100.0 100.0 0.835 0.835 0.000 16 6 no 0.000 0 0
1 61 PRO QG 198 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 62 SER QB 227 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 ARG QB 178 no 100.0 99.9 2.198 2.200 0.001 5 1 no 0.086 0 0
1 63 ARG QD 172 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.054 0 0
1 63 ARG QG 177 no 70.0 100.0 0.239 0.239 0.000 5 1 no 0.028 0 0
1 64 PHE QB 76 no 90.0 100.0 0.161 0.161 0.000 12 6 no 0.000 0 0
1 66 GLY QA 129 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 67 SER QB 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 GLY QA 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 GLY QA 128 no 85.0 39.4 0.010 0.025 0.015 8 0 no 0.364 0 0
1 72 GLU QB 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 GLU QG 169 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.005 0 0
1 73 PHE QB 90 no 100.0 100.0 0.000 0.000 0.000 11 2 no 0.011 0 0
1 75 PHE QB 84 no 100.0 100.0 0.100 0.100 0.000 11 0 no 0.000 0 0
1 77 ILE QG 97 no 100.0 100.0 0.601 0.601 0.000 10 0 no 0.017 0 0
1 80 LEU QB 20 no 100.0 99.9 1.173 1.173 0.001 17 4 no 0.057 0 0
1 80 LEU QD 6 no 100.0 99.6 5.795 5.818 0.024 29 9 no 0.265 0 0
1 81 GLN QB 115 no 100.0 100.0 0.001 0.001 0.000 10 6 no 0.070 0 0
1 81 GLN QE 138 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.044 0 0
1 81 GLN QG 92 no 100.0 99.9 0.311 0.311 0.000 11 6 no 0.072 0 0
1 82 PRO QB 237 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 82 PRO QD 50 no 65.0 97.1 0.065 0.067 0.002 13 9 no 0.107 0 0
1 82 PRO QG 161 no 100.0 100.0 0.001 0.001 0.000 6 0 no 0.095 0 0
1 83 GLU QB 223 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 83 GLU QG 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.073 0 0
1 84 ASP QB 18 no 85.0 100.0 0.133 0.133 0.000 17 3 no 0.036 0 0
1 85 LEU QD 127 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.040 0 0
1 88 TYR QB 88 no 100.0 99.8 0.907 0.908 0.002 11 1 no 0.075 0 0
1 89 TYR QB 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 CYS QB 22 no 100.0 0.0 0.000 0.000 0.000 17 7 no 0.000 0 0
1 91 GLN QB 133 no 100.0 99.4 1.694 1.705 0.011 8 1 no 0.190 0 0
1 91 GLN QG 59 no 95.0 98.9 1.275 1.289 0.014 12 0 no 0.231 0 0
1 92 GLN QB 83 no 100.0 0.0 0.000 0.000 0.000 11 0 no 0.000 0 0
1 92 GLN QE 41 no 85.0 97.5 0.418 0.429 0.011 13 0 no 0.209 0 0
1 92 GLN QG 82 no 100.0 99.0 0.396 0.400 0.004 11 0 no 0.117 0 0
1 93 TYR QB 148 no 100.0 98.9 0.176 0.178 0.002 7 0 no 0.079 0 0
1 94 ASP QB 160 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 95 ASN QB 137 no 95.0 99.9 0.372 0.372 0.000 8 2 no 0.039 0 0
1 95 ASN QD 166 no 25.0 99.8 0.023 0.023 0.000 6 1 no 0.028 0 0
1 96 LEU QB 67 no 100.0 100.0 0.299 0.299 0.000 12 3 no 0.000 0 0
1 96 LEU QD 4 no 100.0 100.0 5.504 5.504 0.000 31 7 no 0.042 0 0
1 97 PRO QD 187 no 100.0 99.9 2.099 2.102 0.002 4 0 no 0.124 0 0
1 98 TYR QB 101 no 100.0 99.8 0.921 0.922 0.002 10 1 no 0.117 0 0
1 100 PHE QB 147 no 100.0 100.0 0.532 0.532 0.000 7 0 no 0.000 0 0
1 102 GLN QE 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.063 0 0
1 103 GLY QA 234 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.003 0 0
1 105 LYS QB 24 no 95.0 99.4 0.873 0.878 0.005 16 1 no 0.118 0 0
1 105 LYS QG 58 no 70.0 79.7 0.013 0.017 0.003 12 0 no 0.094 0 0
1 106 LEU QB 34 no 70.0 98.1 0.068 0.069 0.001 15 1 no 0.074 0 0
1 106 LEU QD 219 no 100.0 0.0 0.000 0.005 0.005 2 0 no 0.114 0 0
1 107 GLU QB 57 no 100.0 97.5 0.193 0.198 0.005 12 0 no 0.139 0 0
1 108 ILE QG 96 no 85.0 95.5 0.205 0.214 0.010 10 0 no 0.134 0 0
1 109 LYS QB 56 no 100.0 99.5 0.358 0.360 0.002 12 0 no 0.144 0 0
2 3 ASP QB 159 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.138 0 0
2 4 ILE QG 72 no 100.0 99.6 4.354 4.373 0.019 12 5 no 0.180 0 0
2 5 GLN QB 158 no 100.0 0.0 0.000 0.016 0.016 6 0 no 0.170 0 0
2 5 GLN QG 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 6 MET QG 120 no 100.0 99.8 0.152 0.152 0.000 9 0 no 0.041 0 0
2 8 GLN QB 119 no 50.0 95.7 0.082 0.086 0.004 9 0 no 0.108 0 0
2 8 GLN QE 11 no 100.0 99.1 0.896 0.904 0.008 20 3 no 0.398 0 0
2 8 GLN QG 40 no 90.0 99.1 0.343 0.346 0.003 13 0 no 0.153 0 0
2 10 PRO QB 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 10 PRO QD 108 no 15.0 97.4 0.002 0.002 0.000 10 4 no 0.027 0 0
2 10 PRO QG 149 no 80.0 100.0 0.080 0.080 0.000 7 3 no 0.021 0 0
2 13 LEU QB 114 no 100.0 100.0 1.217 1.217 0.000 10 6 no 0.027 0 0
2 13 LEU QD 45 no 100.0 99.9 7.941 7.947 0.006 13 5 no 0.102 0 0
2 16 SER QB 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 17 VAL QG 107 no 100.0 0.0 0.000 0.002 0.002 10 4 no 0.128 0 0
2 18 GLY QA 203 no 45.0 100.0 0.000 0.000 0.000 3 1 no 0.000 0 0
2 19 ASP QB 104 no 15.0 84.9 0.003 0.003 0.001 10 2 no 0.102 0 0
2 20 ARG QB 157 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
2 20 ARG QG 185 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.102 0 0
2 21 VAL QG 95 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.003 0 0
2 23 ILE QG 132 no 100.0 100.0 0.798 0.799 0.000 8 1 no 0.032 0 0
2 25 CYS QB 15 no 50.0 96.9 0.217 0.224 0.007 18 7 no 0.138 0 0
2 26 GLN QB 103 no 95.0 100.0 0.091 0.091 0.000 10 2 no 0.000 0 0
2 26 GLN QE 197 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 26 GLN QG 62 no 100.0 100.0 3.136 3.136 0.001 12 2 no 0.039 0 0
2 29 GLN QB 71 no 85.0 98.3 0.071 0.072 0.001 12 5 no 0.111 0 0
2 29 GLN QE 153 no 20.0 98.4 0.069 0.070 0.001 7 5 no 0.111 0 0
2 29 GLN QG 173 no 100.0 100.0 0.675 0.675 0.000 5 0 no 0.059 0 0
2 30 ASP QB 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 32 ASN QB 126 no 10.0 89.4 0.001 0.001 0.000 8 0 no 0.024 0 0
2 32 ASN QD 236 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 33 ASN QD 196 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.050 0 0
2 34 TYR QB 81 no 65.0 100.0 0.008 0.008 0.000 11 0 no 0.000 0 0
2 35 LEU QB 80 no 85.0 99.9 0.184 0.184 0.000 11 0 no 0.031 0 0
2 35 LEU QD 7 no 0.0 0.0 0.000 0.015 0.015 24 10 no 0.165 0 0
2 36 ILE QG 61 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.029 0 0
2 37 TRP QB 55 no 100.0 100.0 1.918 1.918 0.000 12 0 no 0.000 0 0
2 38 TYR QB 69 no 100.0 99.9 3.049 3.054 0.004 12 4 no 0.151 0 0
2 39 GLN QB 43 no 75.0 99.2 0.079 0.079 0.001 13 2 no 0.090 0 0
2 39 GLN QE 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 40 GLN QE 113 no 100.0 0.0 0.000 0.010 0.010 10 6 no 0.205 0 0
2 40 GLN QG 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
2 41 LYS QB 141 no 90.0 99.9 0.167 0.167 0.000 8 4 no 0.034 0 0
2 41 LYS QE 183 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.233 0 0
2 42 PRO QD 151 no 35.0 99.5 0.024 0.024 0.000 7 4 no 0.034 0 0
2 44 GLN QB 193 no 100.0 100.0 0.000 0.000 0.000 4 1 no 0.035 0 0
2 44 GLN QE 179 no 40.0 99.1 0.115 0.116 0.001 5 3 no 0.086 0 0
2 46 PRO QB 47 no 100.0 98.8 0.953 0.964 0.011 13 6 no 0.205 0 0
2 46 PRO QD 201 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.003 0 0
2 46 PRO QG 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
2 47 LYS QB 112 no 100.0 99.7 1.115 1.118 0.003 10 6 no 0.080 0 0
2 47 LYS QD 143 no 100.0 0.0 0.000 0.004 0.004 8 6 no 0.086 0 0
2 47 LYS QE 139 no 85.0 99.8 0.333 0.333 0.001 8 3 no 0.046 0 0
2 47 LYS QG 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 48 LEU QD 27 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.032 0 0
2 49 LEU QD 26 no 100.0 0.0 0.000 0.001 0.001 16 4 no 0.065 0 0
2 50 ILE QG 37 no 100.0 98.8 0.239 0.241 0.003 14 0 no 0.136 0 0
2 51 TYR QB 9 no 100.0 100.0 1.575 1.575 0.000 21 11 no 0.008 0 0
2 52 ASP QB 35 no 100.0 97.6 0.755 0.774 0.019 15 2 no 0.253 0 0
2 56 LEU QB 66 no 100.0 100.0 1.257 1.257 0.000 12 3 no 0.000 0 0
2 56 LEU QD 25 no 100.0 0.0 0.000 0.004 0.004 16 4 no 0.130 0 0
2 57 GLU QB 13 no 100.0 100.0 2.224 2.224 0.000 18 4 no 0.025 0 0
2 57 GLU QG 168 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
2 60 VAL QG 1 no 100.0 100.0 19.334 19.341 0.007 40 17 no 0.131 0 0
2 61 PRO QB 100 no 100.0 100.0 1.563 1.564 0.000 10 1 no 0.029 0 0
2 61 PRO QD 31 no 100.0 100.0 0.919 0.919 0.000 16 6 no 0.000 0 0
2 61 PRO QG 195 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 62 SER QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 63 ARG QB 176 no 100.0 99.9 2.292 2.294 0.001 5 1 no 0.087 0 0
2 63 ARG QD 171 no 0.0 0.0 0.000 0.001 0.001 6 4 no 0.078 0 0
2 63 ARG QG 175 no 65.0 99.9 0.188 0.188 0.000 5 1 no 0.057 0 0
2 64 PHE QB 75 no 95.0 100.0 0.207 0.207 0.000 12 6 no 0.000 0 0
2 66 GLY QA 125 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 67 SER QB 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 68 GLY QA 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 70 GLY QA 124 no 30.0 49.7 0.018 0.036 0.018 8 0 no 0.462 0 0
2 72 GLU QB 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 72 GLU QG 167 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.006 0 0
2 73 PHE QB 89 no 100.0 0.0 0.000 0.000 0.000 11 2 no 0.000 0 0
2 75 PHE QB 79 no 100.0 100.0 0.130 0.130 0.000 11 0 no 0.000 0 0
2 77 ILE QG 94 no 100.0 100.0 0.606 0.606 0.000 10 0 no 0.046 0 0
2 80 LEU QB 19 no 100.0 99.9 1.176 1.177 0.001 17 4 no 0.077 0 0
2 80 LEU QD 5 no 100.0 99.7 5.895 5.914 0.019 29 9 no 0.206 0 0
2 81 GLN QB 111 no 100.0 100.0 0.002 0.002 0.000 10 6 no 0.117 0 0
2 81 GLN QE 136 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.044 0 0
2 81 GLN QG 91 no 100.0 99.8 0.280 0.280 0.000 11 6 no 0.052 0 0
2 82 PRO QB 235 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 82 PRO QD 49 no 70.0 96.6 0.100 0.103 0.003 13 9 no 0.128 0 0
2 82 PRO QG 156 no 95.0 72.1 0.001 0.001 0.000 6 0 no 0.110 0 0
2 83 GLU QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 83 GLU QG 208 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.166 0 0
2 84 ASP QB 17 no 95.0 99.8 0.353 0.354 0.001 17 3 no 0.069 0 0
2 85 LEU QD 123 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.008 0 0
2 88 TYR QB 87 no 100.0 99.9 0.933 0.934 0.001 11 1 no 0.073 0 0
2 89 TYR QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 90 CYS QB 21 no 100.0 0.0 0.000 0.000 0.000 17 7 no 0.000 0 0
2 91 GLN QB 131 no 100.0 99.5 1.866 1.875 0.010 8 1 no 0.151 0 0
2 91 GLN QG 54 no 100.0 99.3 1.285 1.294 0.008 12 0 no 0.159 0 0
2 92 GLN QB 78 no 100.0 0.0 0.000 0.000 0.000 11 0 no 0.000 0 0
2 92 GLN QE 39 no 85.0 97.5 0.435 0.446 0.011 13 0 no 0.215 0 0
2 92 GLN QG 77 no 95.0 98.7 0.396 0.401 0.005 11 0 no 0.119 0 0
2 93 TYR QB 146 no 100.0 98.8 0.200 0.202 0.002 7 0 no 0.101 0 0
2 94 ASP QB 155 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 95 ASN QB 135 no 100.0 99.9 0.425 0.425 0.000 8 2 no 0.046 0 0
2 95 ASN QD 165 no 20.0 99.8 0.054 0.054 0.000 6 1 no 0.046 0 0
2 96 LEU QB 65 no 100.0 100.0 0.375 0.375 0.000 12 3 no 0.000 0 0
2 96 LEU QD 3 no 100.0 100.0 6.205 6.205 0.001 31 7 no 0.062 0 0
2 97 PRO QD 181 no 100.0 99.9 2.067 2.069 0.002 4 0 no 0.073 0 0
2 98 TYR QB 99 no 100.0 99.8 1.054 1.056 0.002 10 1 no 0.109 0 0
2 100 PHE QB 145 no 100.0 100.0 0.486 0.486 0.000 7 0 no 0.018 0 0
2 102 GLN QE 206 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.142 0 0
2 103 GLY QA 233 no 100.0 0.0 0.000 0.008 0.008 2 2 no 0.398 0 0
2 105 LYS QB 23 no 100.0 99.4 0.898 0.903 0.005 16 1 no 0.199 0 0
2 105 LYS QG 53 no 60.0 31.0 0.002 0.007 0.005 12 0 no 0.134 0 0
2 106 LEU QB 33 no 80.0 95.8 0.073 0.076 0.003 15 1 no 0.193 0 0
2 106 LEU QD 205 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.090 0 0
2 107 GLU QB 52 no 100.0 97.6 0.189 0.194 0.005 12 0 no 0.132 0 0
2 108 ILE QG 93 no 90.0 97.2 0.330 0.340 0.009 10 0 no 0.138 0 0
2 109 LYS QB 51 no 100.0 98.8 0.366 0.370 0.004 12 0 no 0.168 0 0
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 5:24:17 PM GMT (wattos1)