NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
633805 |
5y08   |
cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_5y08
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 251
_Stereo_assign_list.Swap_count 31
_Stereo_assign_list.Swap_percentage 12.4
_Stereo_assign_list.Deassign_count 49
_Stereo_assign_list.Deassign_percentage 19.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 46.271
_Stereo_assign_list.Total_e_high_states 275.728
_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 HIS QB 171 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 4 MET QB 182 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 4 MET QG 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 ASN QB 51 no 55.0 10.8 0.038 0.356 0.318 18 10 no 0.962 0 10
1 5 ASN QD 150 no 100.0 0.0 0.000 0.000 0.000 9 7 no 0.000 0 0
1 6 ASP QB 162 no 20.0 37.6 0.010 0.027 0.017 7 2 no 0.360 0 0
1 10 GLU QB 143 no 95.0 98.2 0.002 0.002 0.000 9 1 no 0.093 0 0
1 12 TYR QB 53 no 5.0 100.0 0.000 0.000 0.000 17 4 no 0.000 0 0
1 12 TYR QD 167 no 100.0 97.3 0.033 0.034 0.001 7 4 no 0.000 0 0
1 12 TYR QE 179 no 100.0 100.0 0.043 0.043 0.000 6 5 no 0.000 0 0
1 13 GLU QG 121 no 50.0 76.5 0.166 0.217 0.051 11 2 yes 0.811 0 10
1 15 LEU QB 33 yes 100.0 99.9 1.970 1.972 0.002 24 11 no 0.060 0 0
1 15 LEU QD 6 no 95.0 91.5 5.069 5.540 0.472 40 12 yes 1.653 3 6
1 16 LYS QD 89 no 50.0 8.7 0.048 0.548 0.500 14 6 yes 1.193 7 9
1 17 GLN QB 200 yes 95.0 93.2 0.103 0.110 0.007 3 1 no 0.385 0 0
1 17 GLN QE 88 no 95.0 8.8 0.000 0.003 0.003 14 5 no 0.248 0 0
1 17 GLN QG 191 no 50.0 0.8 0.001 0.136 0.135 4 1 no 0.385 0 0
1 18 SER QB 93 no 100.0 100.0 0.014 0.014 0.000 13 1 no 0.185 0 0
1 19 VAL QG 5 no 100.0 84.1 10.263 12.205 1.942 43 23 yes 2.796 8 8
1 20 LEU QB 112 no 85.0 73.7 0.102 0.138 0.036 12 5 no 0.509 0 1
1 20 LEU QD 18 no 85.0 59.0 0.882 1.495 0.613 28 23 yes 2.011 2 14
1 21 HIS QB 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 PHE QB 43 no 75.0 97.9 0.061 0.062 0.001 21 9 no 0.557 0 1
1 23 PHE QD 178 no 90.0 91.4 6.636 7.262 0.627 6 4 yes 2.457 2 2
1 23 PHE QE 177 no 90.0 90.3 10.679 11.823 1.144 6 4 yes 1.590 2 2
1 25 GLN QB 245 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 25 GLN QE 140 no 80.0 42.8 0.004 0.010 0.006 10 9 no 0.248 0 0
1 25 GLN QG 99 no 95.0 46.7 0.074 0.158 0.084 13 7 no 0.209 0 0
1 26 LEU QB 144 no 5.0 69.4 0.022 0.032 0.010 9 2 no 0.106 0 0
1 26 LEU QD 10 no 95.0 96.9 4.755 4.907 0.152 39 25 yes 1.206 1 4
1 28 GLY QA 160 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 29 TYR QB 40 yes 100.0 99.9 0.435 0.436 0.001 22 12 no 0.094 0 0
1 29 TYR QD 251 no 100.0 100.0 0.829 0.829 0.000 1 1 no 0.000 0 0
1 29 TYR QE 224 no 95.0 84.5 0.816 0.966 0.150 2 1 no 0.955 0 4
1 30 ASN QB 250 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 30 ASN QD 190 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 31 VAL QG 20 no 85.0 79.3 7.224 9.105 1.880 27 12 yes 2.718 10 15
1 32 SER QB 100 no 80.0 89.4 0.039 0.043 0.005 13 8 no 0.360 0 0
1 33 GLU QG 244 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 34 LEU QB 42 yes 100.0 95.1 1.196 1.258 0.062 21 9 no 0.557 0 1
1 34 LEU QD 2 no 100.0 99.0 4.244 4.285 0.041 47 28 no 0.360 0 0
1 35 SER QB 81 no 15.0 99.8 0.002 0.002 0.000 14 1 no 0.009 0 0
1 36 LEU QD 52 no 65.0 72.3 0.724 1.001 0.277 18 12 yes 1.058 13 13
1 38 SER QB 232 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 39 HIS QB 249 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 40 LEU QB 63 no 100.0 100.0 0.037 0.037 0.000 16 4 no 0.673 0 1
1 40 LEU QD 26 no 80.0 28.9 0.176 0.610 0.434 25 10 no 0.778 0 1
1 41 GLU QG 243 no 100.0 100.0 0.004 0.004 0.000 1 0 no 0.206 0 0
1 42 ASN QB 79 no 100.0 0.0 0.000 0.000 0.000 15 9 no 0.000 0 0
1 42 ASN QD 87 no 90.0 96.5 0.084 0.087 0.003 14 5 yes 1.185 1 1
1 43 ASP QB 50 no 70.0 94.2 0.030 0.032 0.002 18 8 no 0.192 0 0
1 44 LEU QB 41 yes 100.0 99.9 0.878 0.879 0.001 21 6 no 0.081 0 0
1 44 LEU QD 14 no 95.0 91.9 0.004 0.004 0.000 32 14 no 0.168 0 0
1 45 GLY QA 242 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 47 ASP QB 97 no 75.0 14.8 0.029 0.193 0.164 13 5 no 0.918 0 5
1 48 SER QB 136 yes 75.0 85.2 0.299 0.351 0.052 10 4 no 0.690 0 2
1 49 ILE QG 119 yes 75.0 76.7 1.354 1.765 0.410 11 1 yes 1.355 5 5
1 51 LEU QB 131 no 100.0 38.8 0.099 0.254 0.155 10 1 no 0.327 0 0
1 51 LEU QD 38 no 90.0 83.6 1.242 1.487 0.244 22 5 yes 1.261 2 5
1 53 GLU QG 170 no 5.0 100.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 56 VAL QG 32 no 45.0 21.3 0.294 1.382 1.088 24 9 yes 1.252 3 32
1 57 SER QB 161 no 65.0 94.1 0.084 0.089 0.005 7 2 no 0.448 0 0
1 58 LEU QB 62 yes 90.0 94.1 0.177 0.188 0.011 16 4 no 0.000 0 0
1 58 LEU QD 11 no 90.0 85.4 3.321 3.889 0.568 39 26 yes 1.594 4 6
1 60 ARG QG 154 no 20.0 87.4 0.002 0.002 0.000 8 2 no 0.073 0 0
1 61 GLN QB 45 no 80.0 80.4 0.035 0.044 0.009 20 13 no 0.394 0 0
1 61 GLN QE 17 no 45.0 94.6 0.037 0.039 0.002 28 13 no 0.128 0 0
1 61 GLN QG 59 no 100.0 47.5 0.000 0.000 0.000 17 11 no 0.051 0 0
1 62 PHE QB 84 yes 100.0 26.5 0.318 1.199 0.881 14 4 no 0.027 0 0
1 62 PHE QD 168 no 90.0 90.9 2.912 3.203 0.291 7 5 yes 1.699 2 2
1 62 PHE QE 184 no 100.0 100.0 0.735 0.735 0.000 5 3 no 0.136 0 0
1 63 GLN QB 134 no 100.0 0.0 0.000 0.000 0.000 10 3 no 0.000 0 0
1 63 GLN QE 169 no 100.0 99.5 0.057 0.058 0.000 7 6 no 0.513 0 2
1 63 GLN QG 194 no 55.0 37.2 0.034 0.091 0.057 4 2 no 0.513 0 2
1 64 LEU QD 9 no 60.0 28.7 1.117 3.896 2.778 39 20 yes 2.169 21 30
1 65 ASN QB 231 no 80.0 47.9 0.027 0.056 0.029 2 2 no 0.410 0 0
1 65 ASN QD 67 yes 100.0 92.2 0.672 0.729 0.057 16 5 no 0.410 0 0
1 67 PRO QB 153 no 25.0 100.0 0.022 0.022 0.000 8 2 no 0.000 0 0
1 67 PRO QD 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 LEU QB 105 yes 90.0 63.5 0.203 0.320 0.117 12 1 yes 1.035 1 4
1 69 LEU QB 96 no 55.0 71.7 0.001 0.002 0.001 13 5 no 0.038 0 0
1 69 LEU QD 68 no 100.0 99.2 0.837 0.845 0.007 16 9 no 0.355 0 0
1 70 ILE QG 180 yes 100.0 100.0 0.274 0.274 0.000 5 0 no 0.000 0 0
1 71 GLN QE 139 no 55.0 97.2 0.228 0.235 0.007 10 8 no 0.355 0 0
1 71 GLN QG 135 no 40.0 70.7 0.126 0.178 0.052 10 4 no 0.945 0 6
1 72 ASP QB 108 no 95.0 18.1 0.028 0.155 0.127 12 2 no 0.327 0 0
1 74 ASN QB 115 no 5.0 100.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 74 ASN QD 166 no 100.0 100.0 0.044 0.044 0.000 7 4 no 0.500 0 1
1 76 ILE QG 71 no 100.0 100.0 0.010 0.010 0.000 15 1 no 0.000 0 0
1 77 LYS QB 230 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 77 LYS QE 229 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 77 LYS QG 47 no 100.0 100.0 0.006 0.006 0.000 19 7 no 0.296 0 0
1 78 ASP QB 198 no 40.0 62.3 0.113 0.181 0.068 3 0 yes 1.104 1 5
1 80 LEU QB 75 no 55.0 26.1 0.035 0.135 0.100 15 5 no 0.005 0 0
1 80 LEU QD 15 no 90.0 82.9 5.100 6.153 1.052 31 14 yes 2.078 7 17
1 81 ASP QB 124 no 100.0 0.0 0.000 0.000 0.000 11 4 no 0.000 0 0
1 82 GLY QA 39 yes 95.0 97.6 0.213 0.218 0.005 22 7 no 0.322 0 0
1 83 ILE QG 66 no 40.0 29.5 0.319 1.080 0.761 16 5 yes 1.105 12 12
1 84 LEU QD 28 no 50.0 27.0 0.271 1.004 0.733 25 11 yes 1.513 5 11
1 85 GLN QB 95 no 85.0 80.4 0.046 0.058 0.011 13 5 no 0.892 0 1
1 85 GLN QE 69 no 70.0 85.4 0.217 0.254 0.037 16 11 yes 0.903 0 10
1 85 GLN QG 208 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 86 ARG QB 241 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 86 ARG QD 46 no 90.0 68.9 0.040 0.058 0.018 19 3 no 0.674 0 2
1 86 ARG QG 214 no 60.0 62.5 0.416 0.666 0.249 2 0 yes 1.726 2 3
1 88 PHE QB 49 no 70.0 24.0 0.339 1.412 1.073 18 8 no 0.025 0 0
1 88 PHE QD 156 no 100.0 100.0 7.238 7.238 0.000 8 3 no 0.000 0 0
1 89 GLN QB 146 no 100.0 0.0 0.000 0.000 0.000 9 3 no 0.000 0 0
1 89 GLN QE 186 no 100.0 99.5 0.091 0.092 0.000 5 4 no 0.491 0 0
1 89 GLN QG 207 no 50.0 2.6 0.002 0.092 0.089 3 2 no 0.491 0 0
1 90 LEU QB 197 no 100.0 100.0 0.010 0.010 0.000 3 0 no 0.227 0 0
1 90 LEU QD 25 no 100.0 96.2 4.181 4.344 0.163 25 9 no 0.122 0 0
1 91 SER QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 GLU QB 152 no 50.0 29.6 0.107 0.362 0.255 8 0 yes 1.522 2 3
1 92 GLU QG 240 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 93 LYS QB 159 no 85.0 61.6 0.024 0.040 0.015 7 0 no 0.356 0 0
1 93 LYS QD 239 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 93 LYS QG 206 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 95 GLU QB 188 no 35.0 97.5 0.012 0.013 0.000 4 0 no 0.077 0 0
1 95 GLU QG 238 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 96 PRO QB 155 yes 90.0 82.5 0.106 0.129 0.023 8 3 no 0.520 0 1
1 96 PRO QD 122 no 100.0 0.0 0.000 0.000 0.000 11 3 no 0.000 0 0
1 96 PRO QG 195 no 100.0 0.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 99 ILE QG 104 yes 100.0 100.0 0.666 0.666 0.000 12 1 no 0.000 0 0
1 102 SER QB 130 no 100.0 45.7 0.000 0.000 0.000 10 1 no 0.020 0 0
1 104 ASP QB 86 no 100.0 0.0 0.000 0.000 0.000 14 5 no 0.000 0 0
1 106 ASP QB 107 no 55.0 100.0 0.020 0.020 0.000 12 2 no 0.000 0 0
1 107 LEU QB 196 no 100.0 98.4 0.023 0.023 0.000 3 0 no 0.191 0 0
1 108 TRP QB 187 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 109 LEU QD 35 no 85.0 86.1 6.674 7.748 1.074 24 12 yes 1.813 8 8
1 110 GLY QA 21 no 100.0 90.3 0.274 0.303 0.029 27 16 no 0.702 0 1
1 111 ASN QB 34 yes 100.0 100.0 0.282 0.282 0.000 24 12 no 0.000 0 0
1 111 ASN QD 44 no 75.0 47.9 0.004 0.007 0.004 20 10 no 0.243 0 0
1 112 LEU QD 91 no 65.0 64.1 0.934 1.457 0.522 14 12 yes 1.886 3 4
1 113 VAL QG 23 no 95.0 99.0 3.244 3.277 0.033 26 18 no 0.702 0 1
1 114 ARG QB 212 no 100.0 100.0 0.006 0.006 0.000 2 0 no 0.301 0 0
1 114 ARG QD 228 no 35.0 48.1 0.365 0.758 0.393 2 2 no 0.395 0 0
1 115 GLN QE 80 no 100.0 100.0 0.005 0.005 0.000 15 10 no 0.209 0 0
1 115 GLN QG 114 no 100.0 100.0 0.006 0.006 0.000 12 6 no 0.333 0 0
1 116 ILE QG 85 yes 100.0 88.0 3.035 3.451 0.416 14 5 no 0.045 0 0
1 117 PHE QB 57 no 100.0 0.0 0.000 0.000 0.000 17 8 no 0.000 0 0
1 117 PHE QD 165 no 70.0 95.3 0.134 0.141 0.007 7 4 no 0.080 0 0
1 117 PHE QE 176 no 65.0 26.3 0.433 1.646 1.213 6 4 yes 1.132 1 2
1 119 SER QB 193 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 120 HIS QB 61 no 100.0 0.0 0.000 0.000 0.000 16 2 no 0.000 0 0
1 121 SER QB 48 no 80.0 81.1 0.073 0.090 0.017 18 1 no 0.290 0 0
1 122 GLY QA 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 123 TYR QB 111 yes 100.0 100.0 0.389 0.389 0.000 12 5 no 0.000 0 0
1 123 TYR QD 205 no 100.0 98.1 0.823 0.839 0.016 3 2 no 0.565 0 1
1 123 TYR QE 204 no 95.0 96.0 1.303 1.356 0.054 3 2 no 0.938 0 1
1 125 VAL QG 110 no 100.0 99.7 2.514 2.522 0.008 12 5 no 0.333 0 0
1 126 ASN QB 223 no 85.0 72.7 0.010 0.014 0.004 2 1 no 0.294 0 0
1 126 ASN QD 92 yes 95.0 98.8 0.195 0.198 0.002 13 1 no 0.150 0 0
1 128 LEU QB 106 no 100.0 100.0 0.019 0.019 0.000 12 2 no 0.184 0 0
1 128 LEU QD 16 no 75.0 87.0 2.268 2.606 0.338 28 10 yes 1.593 1 7
1 130 LEU QB 125 yes 100.0 100.0 0.199 0.200 0.000 11 5 no 0.136 0 0
1 130 LEU QD 13 no 85.0 74.6 5.902 7.907 2.005 33 25 yes 2.387 13 21
1 131 ASP QB 142 no 100.0 0.0 0.000 0.000 0.000 9 1 no 0.000 0 0
1 133 GLU QB 90 no 25.0 30.3 0.012 0.038 0.027 14 7 no 0.448 0 0
1 133 GLU QG 237 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.025 0 0
1 134 ILE QG 94 yes 95.0 94.1 0.310 0.329 0.020 13 2 no 0.586 0 1
1 135 GLU QG 77 no 80.0 97.5 0.038 0.039 0.001 15 8 no 0.436 0 0
1 136 SER QB 76 no 95.0 98.4 0.005 0.005 0.000 15 8 no 0.188 0 0
1 137 ASP QB 30 no 65.0 98.4 0.432 0.439 0.007 24 6 yes 0.747 0 15
1 138 LEU QB 74 no 100.0 96.6 0.007 0.007 0.000 15 5 no 0.000 0 0
1 138 LEU QD 27 no 100.0 95.4 5.120 5.369 0.248 25 11 yes 0.780 0 10
1 141 ASP QB 129 yes 85.0 83.6 0.104 0.125 0.020 10 1 no 0.488 0 0
1 144 SER QB 236 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 145 VAL QG 19 no 85.0 55.2 0.552 0.998 0.447 27 12 yes 1.843 1 6
1 149 GLN QE 24 no 75.0 80.9 0.369 0.456 0.087 25 9 no 0.735 0 3
1 149 GLN QG 56 no 25.0 88.2 0.059 0.067 0.008 17 8 no 0.232 0 0
1 150 GLY QA 141 no 100.0 0.0 0.000 0.000 0.000 9 1 no 0.000 0 0
1 151 GLU QB 222 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 151 GLU QG 72 yes 100.0 99.3 1.979 1.993 0.014 15 3 no 0.035 0 0
1 152 LEU QB 65 no 60.0 82.6 0.123 0.149 0.026 16 5 no 0.571 0 4
1 152 LEU QD 3 no 85.0 74.8 8.938 11.955 3.017 47 29 yes 3.009 13 16
1 153 PHE QB 173 no 100.0 98.5 0.407 0.413 0.006 6 3 no 0.043 0 0
1 153 PHE QD 127 no 95.0 86.6 8.823 10.192 1.369 11 6 yes 2.791 2 2
1 153 PHE QE 248 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 154 ASN QB 235 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 154 ASN QD 151 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 156 LEU QB 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 156 LEU QD 36 no 90.0 70.7 1.194 1.689 0.495 23 10 yes 1.339 1 1
1 157 GLN QB 199 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 157 GLN QE 183 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 157 GLN QG 221 no 10.0 10.5 0.000 0.004 0.003 2 1 no 0.260 0 0
1 158 LEU QB 126 yes 75.0 99.5 0.785 0.788 0.004 11 6 no 0.098 0 0
1 158 LEU QD 8 no 75.0 46.1 1.931 4.190 2.259 39 17 yes 2.764 9 14
1 159 ASN QB 192 no 80.0 97.8 0.124 0.127 0.003 4 2 no 0.155 0 0
1 159 ASN QD 78 no 100.0 99.5 0.926 0.930 0.004 15 9 no 0.155 0 0
1 160 SER QB 133 no 100.0 0.0 0.000 0.000 0.000 10 3 no 0.000 0 0
1 161 GLU QB 123 no 100.0 99.3 0.080 0.081 0.001 11 4 no 0.094 0 0
1 161 GLU QG 145 no 95.0 95.6 0.549 0.575 0.025 9 3 no 0.530 0 1
1 163 ILE QG 82 yes 100.0 100.0 0.143 0.143 0.000 14 3 no 0.000 0 0
1 164 ILE QG 220 yes 95.0 98.5 0.673 0.683 0.010 2 1 no 0.000 0 0
1 166 ASN QB 98 no 100.0 0.0 0.000 0.000 0.000 13 7 no 0.000 0 0
1 166 ASN QD 117 no 60.0 65.9 0.233 0.354 0.121 12 8 yes 1.234 2 5
1 167 CYS QB 31 no 45.0 2.7 0.003 0.119 0.116 24 8 yes 1.321 1 1
1 168 ASN QB 227 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 168 ASN QD 138 yes 95.0 99.2 0.344 0.347 0.003 10 6 no 0.200 0 0
1 170 LEU QB 116 no 95.0 68.2 0.400 0.587 0.187 12 8 no 0.403 0 0
1 170 LEU QD 7 no 95.0 88.8 12.088 13.613 1.525 40 20 yes 2.367 8 11
1 171 SER QB 83 no 70.0 79.9 0.090 0.113 0.023 14 4 no 0.159 0 0
1 173 LEU QB 101 no 100.0 16.8 0.035 0.207 0.172 13 9 no 0.000 0 0
1 173 LEU QD 12 no 100.0 98.1 20.114 20.513 0.399 37 20 no 0.592 0 1
1 174 LYS QB 189 no 100.0 100.0 0.042 0.042 0.000 4 1 no 0.429 0 0
1 174 LYS QD 70 no 45.0 10.8 0.068 0.629 0.561 16 13 yes 1.392 4 7
1 174 LYS QE 29 no 60.0 51.3 0.705 1.373 0.669 25 16 no 0.592 0 1
1 174 LYS QG 181 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 175 GLN QB 137 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 175 GLN QE 128 no 100.0 76.9 0.003 0.004 0.001 11 10 no 0.230 0 0
1 175 GLN QG 58 no 45.0 61.2 0.011 0.018 0.007 17 9 no 0.230 0 0
1 176 CYS QB 37 no 100.0 100.0 0.095 0.095 0.000 22 4 no 0.007 0 0
1 177 LEU QB 113 no 95.0 96.9 0.394 0.407 0.013 12 6 no 0.000 0 0
1 177 LEU QD 22 no 100.0 95.4 14.352 15.048 0.696 27 18 yes 2.214 4 6
1 180 ARG QG 247 no 5.0 60.7 0.009 0.016 0.006 1 1 no 0.000 0 0
1 181 LEU QB 55 no 100.0 0.0 0.000 0.000 0.000 17 7 no 0.000 0 0
1 181 LEU QD 1 no 95.0 94.4 18.305 19.382 1.077 47 25 yes 2.083 8 10
1 182 VAL QG 4 no 100.0 94.5 3.481 3.683 0.202 43 15 no 0.047 0 0
1 183 GLN QE 118 yes 100.0 88.8 0.325 0.366 0.041 12 11 no 0.033 0 0
1 183 GLN QG 60 no 85.0 93.7 0.286 0.305 0.019 17 12 no 0.404 0 0
1 184 GLU QG 120 no 90.0 77.3 0.075 0.097 0.022 11 2 yes 1.015 1 2
1 185 LYS QB 175 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 185 LYS QD 157 no 95.0 89.7 0.000 0.000 0.000 8 4 no 0.000 0 0
1 185 LYS QE 102 no 45.0 4.9 0.081 1.666 1.586 13 10 yes 1.514 4 8
1 185 LYS QG 174 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 186 GLY QA 73 no 100.0 0.0 0.000 0.000 0.000 15 4 no 0.000 0 0
1 187 GLN QB 185 no 55.0 99.6 0.136 0.136 0.001 5 4 no 0.036 0 0
1 187 GLN QE 203 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 187 GLN QG 246 no 95.0 92.9 0.001 0.001 0.000 1 1 no 0.036 0 0
1 188 ASP QB 54 no 80.0 19.2 0.030 0.155 0.126 17 5 no 0.327 0 0
1 189 TRP QB 103 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 190 PHE QB 64 no 100.0 99.0 0.010 0.010 0.000 16 5 no 0.207 0 0
1 190 PHE QD 164 no 10.0 48.3 0.169 0.349 0.180 7 4 yes 1.124 1 3
1 190 PHE QE 202 no 5.0 100.0 0.038 0.038 0.000 3 2 no 0.000 0 0
1 191 GLU QG 234 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 192 LEU QB 132 yes 100.0 96.4 0.150 0.155 0.006 10 3 no 0.327 0 0
1 192 LEU QD 109 no 80.0 75.6 0.870 1.151 0.281 12 5 yes 1.308 4 4
1 194 ARG QD 201 yes 90.0 74.4 0.209 0.281 0.072 3 2 no 0.000 0 0
1 196 PRO QB 209 yes 100.0 99.9 0.737 0.738 0.000 2 0 no 0.066 0 0
1 196 PRO QD 158 no 10.0 100.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 199 PRO QB 149 no 60.0 10.9 0.183 1.675 1.492 9 6 no 0.850 0 7
1 199 PRO QG 226 no 100.0 100.0 0.105 0.105 0.000 2 2 no 0.000 0 0
1 200 PRO QB 147 no 90.0 98.3 0.045 0.045 0.001 9 5 no 0.081 0 0
1 200 PRO QD 148 no 55.0 15.9 0.237 1.486 1.249 9 6 yes 2.038 10 10
1 200 PRO QG 219 no 65.0 100.0 0.029 0.029 0.000 2 1 no 0.000 0 0
1 201 LEU QB 172 no 10.0 100.0 0.001 0.001 0.000 6 2 no 0.000 0 0
1 201 LEU QD 218 no 65.0 35.8 0.240 0.670 0.430 2 1 yes 1.135 7 7
1 202 ARG QB 163 no 95.0 93.5 0.021 0.022 0.001 7 3 no 0.173 0 0
1 202 ARG QG 225 no 90.0 86.1 0.019 0.022 0.003 2 2 no 0.173 0 0
1 203 SER QB 233 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
stop_
save_
Contact the webmaster for help, if required. Sunday, May 5, 2024 2:56:42 AM GMT (wattos1)