NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573838 |
2m3w   |
17857 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2m3w
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 272
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 12
_Stereo_assign_list.Deassign_percentage 4.4
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 121.381
_Stereo_assign_list.Total_e_high_states 367.876
_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 GLU QB 134 no 100.0 100.0 0.996 0.996 0.000 7 0 no 0.003 0 0
1 3 GLU QG 218 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 4 LEU QB 54 no 25.0 100.0 0.038 0.038 0.000 14 8 no 0.000 0 0
1 4 LEU QD 36 no 100.0 0.0 0.000 0.006 0.006 18 14 no 0.005 0 0
1 5 GLU QB 217 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 5 GLU QG 154 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.001 0 0
1 8 MET QB 92 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 8 MET QG 216 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 9 GLU QB 120 no 70.0 100.0 0.052 0.052 0.000 8 0 no 0.000 0 0
1 9 GLU QG 119 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.011 0 0
1 11 LEU QB 64 no 0.0 0.0 0.000 10.571 10.571 12 6 no 0.000 0 0
1 11 LEU QD 6 no 100.0 0.0 0.000 4.152 4.152 32 14 yes 3.166 10 17
1 12 ILE QG 106 no 95.0 100.0 1.935 1.935 0.000 9 0 no 0.004 0 0
1 13 ASN QB 126 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 13 ASN QD 224 no 65.0 100.0 0.218 0.218 0.000 4 2 no 0.035 0 0
1 14 VAL QG 132 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 15 PHE QB 215 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 15 PHE QD 262 no 55.0 100.0 0.067 0.067 0.000 2 0 no 0.000 0 0
1 15 PHE QE 261 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 HIS QB 153 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 18 HIS QB 78 no 100.0 100.0 0.345 0.345 0.000 11 4 no 0.018 0 0
1 20 GLY QA 260 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 21 LYS QD 214 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 21 LYS QE 259 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.006 0 0
1 21 LYS QG 213 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 22 GLU QB 212 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 22 GLU QG 211 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
1 23 GLY QA 258 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 ASP QB 257 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 LYS QB 131 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 25 LYS QD 228 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 25 LYS QG 256 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 26 TYR QB 210 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 26 TYR QD 255 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 LYS QB 125 no 5.0 100.0 0.001 0.001 0.000 8 2 no 0.000 0 0
1 27 LYS QD 162 no 0.0 0.0 0.000 0.000 0.000 6 2 no 0.012 0 0
1 27 LYS QE 270 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 27 LYS QG 91 no 25.0 100.0 0.123 0.123 0.000 10 2 no 0.017 0 0
1 28 LEU QB 100 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 28 LEU QD 8 no 0.0 0.0 0.000 0.000 0.000 30 22 no 0.033 0 0
1 29 SER QB 209 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 30 LYS QB 254 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 LYS QD 223 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 30 LYS QE 227 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 31 LYS QB 77 no 10.0 100.0 0.015 0.015 0.000 11 4 no 0.004 0 0
1 31 LYS QD 208 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.031 0 0
1 31 LYS QE 269 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 31 LYS QG 253 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 GLN QB 98 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.007 0 0
1 32 GLN QG 118 no 100.0 100.0 0.933 0.933 0.000 8 0 no 0.022 0 0
1 33 LEU QB 32 no 95.0 100.0 1.046 1.046 0.000 19 10 no 0.017 0 0
1 33 LEU QD 4 no 95.0 0.0 0.000 2.384 2.384 36 28 yes 2.397 11 20
1 34 LYS QB 68 no 100.0 100.0 0.853 0.853 0.000 11 1 no 0.026 0 0
1 34 LYS QD 207 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 34 LYS QG 67 no 85.0 96.1 0.040 0.041 0.002 11 1 no 0.071 0 0
1 35 GLU QG 206 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 LEU QB 168 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 36 LEU QD 24 no 95.0 0.0 0.000 4.017 4.017 22 14 yes 2.549 22 39
1 37 LEU QB 130 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 37 LEU QD 18 no 100.0 0.0 0.000 0.000 0.000 24 18 no 0.000 0 0
1 38 GLN QB 152 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 38 GLN QE 108 no 80.0 100.0 0.207 0.207 0.000 9 1 no 0.018 0 0
1 38 GLN QG 151 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.125 0 0
1 40 GLU QB 252 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 40 GLU QG 56 no 25.0 100.0 0.051 0.051 0.000 13 2 no 0.004 0 0
1 41 LEU QB 52 no 80.0 100.0 0.056 0.056 0.000 14 6 no 0.023 0 0
1 41 LEU QD 34 no 100.0 0.0 0.000 0.000 0.000 18 12 no 0.009 0 0
1 42 SER QB 205 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 44 PHE QB 204 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 44 PHE QD 203 no 100.0 100.0 7.613 7.613 0.000 4 0 no 0.006 0 0
1 44 PHE QE 90 no 100.0 100.0 20.894 20.894 0.000 10 2 no 0.017 0 0
1 45 LEU QB 97 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 45 LEU QD 63 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 46 ASP QB 170 no 100.0 100.0 0.828 0.828 0.000 5 0 no 0.010 0 0
1 48 GLN QB 86 no 60.0 99.9 0.028 0.028 0.000 10 0 no 0.016 0 0
1 48 GLN QE 222 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 48 GLN QG 38 no 60.0 100.0 0.021 0.021 0.000 16 2 no 0.003 0 0
1 49 LYS QB 251 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 LYS QD 250 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 LYS QG 150 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 50 ASP QB 85 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 51 VAL QG 167 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.009 0 0
1 54 VAL QG 60 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 55 ASP QB 76 no 100.0 100.0 0.811 0.811 0.000 11 4 no 0.009 0 0
1 56 LYS QD 149 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.007 0 0
1 56 LYS QG 202 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 57 VAL QG 12 no 100.0 0.0 0.000 0.000 0.000 26 10 no 0.009 0 0
1 58 MET QG 44 no 100.0 100.0 1.887 1.887 0.000 14 2 no 0.009 0 0
1 59 LYS QB 136 no 95.0 100.0 0.180 0.180 0.000 7 3 no 0.015 0 0
1 59 LYS QD 96 no 100.0 100.0 2.065 2.065 0.000 10 4 no 0.048 0 0
1 59 LYS QE 166 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 59 LYS QG 72 no 100.0 0.0 0.000 0.002 0.002 11 3 no 0.143 0 0
1 60 GLU QB 105 no 30.0 100.0 0.041 0.041 0.000 9 0 no 0.012 0 0
1 60 GLU QG 249 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 LEU QB 82 no 95.0 100.0 0.221 0.221 0.000 11 5 no 0.013 0 0
1 61 LEU QD 22 no 100.0 0.0 0.000 0.000 0.000 22 12 no 0.000 0 0
1 62 ASP QB 161 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.009 0 0
1 63 GLU QB 70 no 100.0 100.0 1.776 1.776 0.000 11 2 no 0.000 0 0
1 63 GLU QG 201 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 64 ASN QB 114 no 100.0 100.0 0.334 0.334 0.000 9 4 no 0.000 0 0
1 64 ASN QD 268 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 65 GLY QA 267 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.004 0 0
1 66 ASP QB 200 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 67 GLY QA 248 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 GLU QB 199 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
1 68 GLU QG 198 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 69 VAL QG 2 no 100.0 93.2 15.631 16.765 1.134 55 22 yes 1.736 10 10
1 70 ASP QB 148 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 71 PHE QB 147 no 90.0 100.0 0.038 0.038 0.000 6 0 no 0.000 0 0
1 71 PHE QD 113 no 100.0 100.0 19.131 19.131 0.000 9 4 no 0.007 0 0
1 71 PHE QE 124 no 100.0 100.0 6.478 6.478 0.000 8 2 no 0.000 0 0
1 72 GLN QB 48 no 90.0 100.0 0.595 0.595 0.000 14 3 no 0.012 0 0
1 72 GLN QE 160 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.027 0 0
1 72 GLN QG 47 no 100.0 100.0 2.059 2.059 0.000 14 3 no 0.038 0 0
1 73 GLU QB 42 no 100.0 100.0 0.358 0.358 0.000 15 4 no 0.000 0 0
1 73 GLU QG 58 no 100.0 100.0 0.595 0.595 0.000 12 1 no 0.033 0 0
1 74 TYR QB 197 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 74 TYR QD 50 no 50.0 16.0 1.999 12.461 10.461 14 5 yes 2.656 56 94
1 74 TYR QE 30 no 50.0 15.9 5.303 33.257 27.954 19 8 yes 4.204 84 103
1 75 VAL QG 16 no 100.0 0.0 0.000 0.001 0.001 24 10 no 0.042 0 0
1 76 VAL QG 146 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 77 LEU QB 14 no 90.0 99.9 0.237 0.237 0.000 25 8 no 0.030 0 0
1 77 LEU QD 28 no 100.0 0.0 0.000 0.000 0.000 20 16 no 0.004 0 0
1 78 VAL QG 21 no 100.0 0.0 0.000 0.000 0.000 22 12 no 0.015 0 0
1 81 LEU QB 40 no 100.0 100.0 0.483 0.483 0.000 16 4 no 0.007 0 0
1 81 LEU QD 10 no 100.0 0.0 0.000 0.000 0.000 28 20 no 0.006 0 0
1 83 VAL QG 26 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.012 0 0
1 85 CYS QB 247 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 ASN QB 110 no 95.0 100.0 1.008 1.008 0.000 9 2 no 0.011 0 0
1 87 ASN QB 246 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 PHE QB 196 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 88 PHE QD 272 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 89 PHE QB 156 no 70.0 100.0 0.301 0.301 0.000 6 1 no 0.000 0 0
1 89 PHE QD 81 no 100.0 100.0 16.317 16.317 0.000 11 5 no 0.014 0 0
1 89 PHE QE 172 no 100.0 100.0 8.789 8.789 0.000 5 2 no 0.000 0 0
1 90 TRP QB 104 no 95.0 100.0 0.265 0.265 0.000 9 0 no 0.002 0 0
2 3 GLU QB 133 no 100.0 100.0 0.997 0.997 0.000 7 0 no 0.002 0 0
2 3 GLU QG 195 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 4 LEU QB 53 no 25.0 100.0 0.037 0.037 0.000 14 8 no 0.000 0 0
2 4 LEU QD 35 no 100.0 0.0 0.000 0.006 0.006 18 14 no 0.009 0 0
2 5 GLU QB 194 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 5 GLU QG 145 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.001 0 0
2 8 MET QB 89 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
2 8 MET QG 193 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 9 GLU QB 117 no 70.0 100.0 0.052 0.052 0.000 8 0 no 0.000 0 0
2 9 GLU QG 116 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.011 0 0
2 11 LEU QB 62 no 100.0 0.0 0.000 10.572 10.572 12 6 no 0.000 0 0
2 11 LEU QD 5 no 100.0 0.0 0.000 4.152 4.152 32 14 yes 3.165 10 17
2 12 ILE QG 103 no 95.0 100.0 1.936 1.936 0.000 9 0 no 0.004 0 0
2 13 ASN QB 123 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
2 13 ASN QD 221 no 65.0 100.0 0.218 0.218 0.000 4 2 no 0.035 0 0
2 14 VAL QG 129 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 15 PHE QB 192 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 15 PHE QD 245 no 55.0 100.0 0.067 0.067 0.000 2 0 no 0.000 0 0
2 15 PHE QE 244 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 16 HIS QB 144 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 18 HIS QB 75 no 100.0 100.0 0.345 0.345 0.000 11 4 no 0.018 0 0
2 20 GLY QA 243 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.013 0 0
2 21 LYS QD 191 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
2 21 LYS QE 242 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
2 21 LYS QG 190 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.011 0 0
2 22 GLU QB 189 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.011 0 0
2 22 GLU QG 188 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
2 23 GLY QA 241 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 24 ASP QB 240 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 25 LYS QB 128 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 25 LYS QD 226 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 25 LYS QG 239 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 26 TYR QB 187 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 26 TYR QD 238 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 27 LYS QB 122 no 5.0 100.0 0.001 0.001 0.000 8 2 no 0.000 0 0
2 27 LYS QD 159 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.013 0 0
2 27 LYS QE 266 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 27 LYS QG 88 no 25.0 100.0 0.123 0.123 0.000 10 2 no 0.017 0 0
2 28 LEU QB 99 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
2 28 LEU QD 7 no 100.0 0.0 0.000 0.000 0.000 30 22 no 0.033 0 0
2 29 SER QB 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 30 LYS QB 237 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 30 LYS QD 220 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 30 LYS QE 225 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 31 LYS QB 74 no 10.0 100.0 0.015 0.015 0.000 11 4 no 0.004 0 0
2 31 LYS QD 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.032 0 0
2 31 LYS QE 265 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 31 LYS QG 236 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 32 GLN QB 95 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.006 0 0
2 32 GLN QG 115 no 100.0 100.0 0.934 0.934 0.000 8 0 no 0.022 0 0
2 33 LEU QB 31 no 95.0 100.0 1.046 1.046 0.000 19 10 no 0.016 0 0
2 33 LEU QD 3 no 100.0 0.0 0.000 2.384 2.384 36 28 yes 2.397 11 20
2 34 LYS QB 66 no 100.0 100.0 0.853 0.853 0.000 11 1 no 0.026 0 0
2 34 LYS QD 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
2 34 LYS QG 65 no 85.0 96.1 0.040 0.041 0.002 11 1 no 0.070 0 0
2 35 GLU QG 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 36 LEU QB 165 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 36 LEU QD 23 no 100.0 0.0 0.000 4.018 4.018 22 14 yes 2.551 22 39
2 37 LEU QB 127 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 37 LEU QD 17 no 100.0 0.0 0.000 0.000 0.000 24 18 no 0.000 0 0
2 38 GLN QB 143 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 38 GLN QE 107 no 80.0 100.0 0.207 0.207 0.000 9 1 no 0.019 0 0
2 38 GLN QG 142 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.125 0 0
2 40 GLU QB 235 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 40 GLU QG 55 no 25.0 100.0 0.051 0.051 0.000 13 2 no 0.005 0 0
2 41 LEU QB 51 no 80.0 100.0 0.056 0.056 0.000 14 6 no 0.022 0 0
2 41 LEU QD 33 no 100.0 0.0 0.000 0.000 0.000 18 12 no 0.005 0 0
2 42 SER QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
2 44 PHE QB 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 44 PHE QD 180 no 100.0 100.0 7.613 7.613 0.000 4 0 no 0.005 0 0
2 44 PHE QE 87 no 100.0 100.0 20.900 20.900 0.000 10 2 no 0.017 0 0
2 45 LEU QB 94 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
2 45 LEU QD 61 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
2 46 ASP QB 169 no 100.0 100.0 0.828 0.828 0.000 5 0 no 0.011 0 0
2 48 GLN QB 84 no 60.0 99.9 0.028 0.028 0.000 10 0 no 0.015 0 0
2 48 GLN QE 219 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 48 GLN QG 37 no 60.0 100.0 0.021 0.021 0.000 16 2 no 0.004 0 0
2 49 LYS QB 234 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 49 LYS QD 233 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 49 LYS QG 141 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 50 ASP QB 83 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
2 51 VAL QG 164 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.008 0 0
2 54 VAL QG 59 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
2 55 ASP QB 73 no 100.0 100.0 0.811 0.811 0.000 11 4 no 0.008 0 0
2 56 LYS QD 140 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
2 56 LYS QG 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
2 57 VAL QG 11 no 100.0 0.0 0.000 0.000 0.000 26 10 no 0.009 0 0
2 58 MET QG 43 no 100.0 100.0 1.887 1.887 0.000 14 2 no 0.009 0 0
2 59 LYS QB 135 no 95.0 100.0 0.180 0.180 0.000 7 3 no 0.016 0 0
2 59 LYS QD 93 no 100.0 100.0 2.065 2.065 0.000 10 4 no 0.049 0 0
2 59 LYS QE 163 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 59 LYS QG 71 no 100.0 0.0 0.000 0.002 0.002 11 3 no 0.143 0 0
2 60 GLU QB 102 no 30.0 100.0 0.041 0.041 0.000 9 0 no 0.011 0 0
2 60 GLU QG 232 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 61 LEU QB 80 no 95.0 100.0 0.221 0.221 0.000 11 5 no 0.011 0 0
2 61 LEU QD 20 no 100.0 0.0 0.000 0.000 0.000 22 12 no 0.000 0 0
2 62 ASP QB 158 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.008 0 0
2 63 GLU QB 69 no 100.0 100.0 1.776 1.776 0.000 11 2 no 0.000 0 0
2 63 GLU QG 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
2 64 ASN QB 112 no 100.0 100.0 0.335 0.335 0.000 9 4 no 0.000 0 0
2 64 ASN QD 264 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 65 GLY QA 263 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.004 0 0
2 66 ASP QB 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 67 GLY QA 231 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 68 GLU QB 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.009 0 0
2 68 GLU QG 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 69 VAL QG 1 no 100.0 93.2 15.628 16.763 1.135 55 22 yes 1.736 10 10
2 70 ASP QB 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 71 PHE QB 138 no 90.0 100.0 0.038 0.038 0.000 6 0 no 0.000 0 0
2 71 PHE QD 111 no 100.0 100.0 19.106 19.106 0.000 9 4 no 0.008 0 0
2 71 PHE QE 121 no 100.0 100.0 6.471 6.471 0.000 8 2 no 0.000 0 0
2 72 GLN QB 46 no 90.0 100.0 0.595 0.595 0.000 14 3 no 0.012 0 0
2 72 GLN QE 157 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.022 0 0
2 72 GLN QG 45 no 100.0 100.0 2.055 2.055 0.000 14 3 no 0.038 0 0
2 73 GLU QB 41 no 100.0 100.0 0.358 0.358 0.000 15 4 no 0.000 0 0
2 73 GLU QG 57 no 100.0 100.0 0.594 0.594 0.000 12 1 no 0.034 0 0
2 74 TYR QB 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 74 TYR QD 49 no 50.0 16.1 2.002 12.463 10.461 14 5 yes 2.656 56 94
2 74 TYR QE 29 no 50.0 15.9 5.302 33.259 27.957 19 8 yes 4.205 84 103
2 75 VAL QG 15 no 100.0 0.0 0.000 0.001 0.001 24 10 no 0.042 0 0
2 76 VAL QG 137 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 77 LEU QB 13 no 90.0 99.9 0.237 0.237 0.000 25 8 no 0.029 0 0
2 77 LEU QD 27 no 100.0 0.0 0.000 0.000 0.000 20 16 no 0.004 0 0
2 78 VAL QG 19 no 100.0 0.0 0.000 0.000 0.000 22 12 no 0.014 0 0
2 81 LEU QB 39 no 100.0 100.0 0.483 0.483 0.000 16 4 no 0.006 0 0
2 81 LEU QD 9 no 100.0 0.0 0.000 0.000 0.000 28 20 no 0.006 0 0
2 83 VAL QG 25 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.012 0 0
2 85 CYS QB 230 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 86 ASN QB 109 no 95.0 100.0 1.007 1.007 0.000 9 2 no 0.021 0 0
2 87 ASN QB 229 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 88 PHE QB 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 88 PHE QD 271 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 89 PHE QB 155 no 70.0 100.0 0.301 0.301 0.000 6 1 no 0.000 0 0
2 89 PHE QD 79 no 100.0 100.0 16.324 16.324 0.000 11 5 no 0.018 0 0
2 89 PHE QE 171 no 100.0 100.0 8.789 8.789 0.000 5 2 no 0.000 0 0
2 90 TRP QB 101 no 95.0 100.0 0.264 0.264 0.000 9 0 no 0.002 0 0
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 10:41:52 AM GMT (wattos1)