NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603522 |
2nbq   |
25985 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2nbq
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 234
_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 30
_Stereo_assign_list.Total_e_low_states 1.897
_Stereo_assign_list.Total_e_high_states 174.055
_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 1 MET QB 209 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 1 MET QG 180 no 56.7 100.0 0.240 0.240 0.000 3 1 no 0.000 0 0
1 2 GLU QB 83 no 86.7 99.4 0.264 0.265 0.001 8 4 no 0.074 0 0
1 2 GLU QG 98 no 60.0 100.0 0.150 0.150 0.000 7 4 no 0.028 0 0
1 3 ILE QG 63 no 70.0 99.7 0.093 0.093 0.000 9 0 no 0.059 0 0
1 4 LEU QB 213 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 4 LEU QD 92 no 53.3 99.7 0.223 0.224 0.001 7 2 no 0.108 0 0
1 5 ARG QB 50 no 80.0 91.4 0.099 0.108 0.009 11 6 no 0.200 0 0
1 5 ARG QD 121 no 80.0 99.4 0.424 0.426 0.003 6 5 no 0.214 0 0
1 5 ARG QG 60 no 93.3 97.1 0.245 0.252 0.007 10 6 no 0.247 0 0
1 6 TYR QB 51 no 50.0 44.7 0.012 0.027 0.015 10 2 no 0.374 0 0
1 7 LEU QB 140 no 30.0 100.0 0.002 0.002 0.000 5 3 no 0.000 0 0
1 7 LEU QD 18 no 100.0 99.7 10.334 10.367 0.033 22 6 no 0.374 0 0
1 8 MET QB 111 no 10.0 97.0 0.006 0.006 0.000 6 0 no 0.068 0 0
1 8 MET QG 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 ASP QB 110 no 0.0 0.0 0.000 0.014 0.014 6 0 no 0.245 0 0
1 10 PRO QB 68 no 23.3 27.1 0.003 0.009 0.007 9 3 no 0.166 0 0
1 10 PRO QD 109 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 11 ASP QB 128 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 13 PHE QB 40 no 63.3 100.0 0.525 0.525 0.000 12 4 no 0.000 0 0
1 18 ASN QB 205 no 60.0 100.0 0.097 0.097 0.000 2 0 no 0.000 0 0
1 19 ASN QB 234 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 22 LEU QB 233 no 23.3 100.0 0.019 0.019 0.000 1 0 no 0.000 0 0
1 22 LEU QD 232 no 13.3 100.0 0.012 0.012 0.000 1 0 no 0.008 0 0
1 28 GLN QB 74 no 83.3 99.9 0.387 0.387 0.000 9 7 no 0.084 0 0
1 28 GLN QE 99 no 100.0 99.4 0.397 0.400 0.002 7 7 no 0.110 0 0
1 28 GLN QG 61 no 33.3 62.7 0.003 0.005 0.002 10 8 no 0.110 0 0
1 30 TYR QB 175 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 31 LEU QB 56 no 100.0 93.2 0.038 0.040 0.003 10 4 no 0.288 0 0
1 31 LEU QD 1 no 100.0 98.7 5.203 5.270 0.067 68 19 no 0.287 0 0
1 32 CYS QB 64 no 100.0 83.0 0.226 0.273 0.046 9 1 no 0.317 0 0
1 33 TYR QB 21 no 100.0 96.1 0.006 0.006 0.000 19 5 no 0.216 0 0
1 34 GLU QB 72 no 100.0 99.0 1.120 1.132 0.012 9 5 no 0.193 0 0
1 34 GLU QG 113 no 100.0 99.3 0.706 0.711 0.005 6 1 no 0.107 0 0
1 35 VAL QG 12 no 100.0 99.7 2.839 2.846 0.007 37 17 no 0.154 0 0
1 36 GLU QB 108 no 100.0 98.4 0.766 0.779 0.013 6 0 no 0.162 0 0
1 36 GLU QG 115 no 96.7 97.2 1.191 1.226 0.034 6 2 no 0.313 0 0
1 37 ARG QB 204 no 86.7 94.1 0.063 0.067 0.004 2 0 no 0.198 0 0
1 37 ARG QG 231 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 38 LEU QB 79 no 100.0 100.0 0.891 0.891 0.000 8 2 no 0.000 0 0
1 38 LEU QD 5 no 100.0 98.4 11.930 12.120 0.190 47 12 no 0.393 0 0
1 39 ASP QB 43 no 100.0 88.5 1.097 1.239 0.142 12 6 no 0.393 0 0
1 40 ASN QB 48 no 30.0 86.9 0.104 0.120 0.016 11 5 no 0.301 0 0
1 40 ASN QD 143 no 100.0 81.9 0.071 0.087 0.016 5 4 no 0.301 0 0
1 41 GLY QA 70 no 100.0 99.9 0.603 0.603 0.000 9 4 no 0.046 0 0
1 43 TRP QB 37 no 100.0 89.9 0.282 0.314 0.032 12 1 no 0.197 0 0
1 44 VAL QG 20 no 100.0 99.9 4.386 4.389 0.003 21 5 no 0.076 0 0
1 45 LEU QB 184 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 45 LEU QD 14 no 83.3 5.9 0.005 0.086 0.081 32 8 no 0.436 0 0
1 46 MET QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 MET QG 107 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.061 0 0
1 47 ASP QB 174 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 48 GLN QB 97 no 10.0 96.8 0.006 0.006 0.000 7 4 no 0.051 0 0
1 48 GLN QE 85 no 56.7 95.1 0.071 0.075 0.004 8 6 no 0.138 0 0
1 48 GLN QG 49 no 73.3 99.0 0.491 0.496 0.005 11 6 no 0.113 0 0
1 49 HIS QB 88 no 100.0 93.5 0.261 0.280 0.018 7 0 no 0.344 0 0
1 50 MET QB 66 no 100.0 100.0 0.009 0.009 0.000 9 2 no 0.253 0 0
1 50 MET QG 136 no 96.7 84.7 0.001 0.002 0.000 5 2 no 0.119 0 0
1 51 GLY QA 127 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 52 PHE QB 36 no 100.0 100.0 0.001 0.001 0.000 12 0 no 0.052 0 0
1 53 LEU QB 94 no 96.7 92.7 0.394 0.425 0.031 7 3 no 0.254 0 0
1 53 LEU QD 19 no 80.0 97.1 0.453 0.467 0.014 21 5 no 0.197 0 0
1 55 ASN QB 230 no 20.0 89.7 0.017 0.019 0.002 1 0 no 0.148 0 0
1 56 GLU QB 202 no 10.0 72.1 0.000 0.001 0.000 2 0 no 0.053 0 0
1 58 LYS QB 73 no 73.3 99.7 0.061 0.061 0.000 9 6 no 0.066 0 0
1 58 LYS QD 164 no 20.0 100.0 0.003 0.003 0.000 4 3 no 0.000 0 0
1 58 LYS QE 120 no 86.7 100.0 0.629 0.629 0.000 6 5 no 0.066 0 0
1 58 LYS QG 75 no 100.0 0.0 0.000 0.000 0.000 9 8 no 0.000 0 0
1 60 LEU QB 118 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 60 LEU QD 55 no 80.0 98.9 0.124 0.126 0.001 10 4 no 0.154 0 0
1 61 LEU QB 82 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 61 LEU QD 69 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 62 CYS QB 229 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 63 GLY QA 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 64 PHE QB 228 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 65 TYR QB 227 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 67 ARG QB 201 no 96.7 99.1 0.398 0.401 0.004 2 0 no 0.238 0 0
1 67 ARG QD 226 no 93.3 99.9 1.674 1.675 0.001 1 0 no 0.176 0 0
1 68 HIS QB 179 no 36.7 99.6 0.115 0.116 0.000 3 1 no 0.111 0 0
1 70 GLU QB 91 no 26.7 18.0 0.001 0.003 0.002 7 2 no 0.263 0 0
1 70 GLU QG 200 no 3.3 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 LEU QB 78 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 71 LEU QD 44 no 100.0 99.9 4.275 4.278 0.002 12 7 no 0.154 0 0
1 72 ARG QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 PHE QB 17 no 6.7 60.0 0.022 0.037 0.015 23 11 no 0.227 0 0
1 74 LEU QB 81 no 26.7 44.5 0.002 0.006 0.003 8 4 no 0.162 0 0
1 74 LEU QD 8 no 100.0 99.8 10.331 10.349 0.018 42 14 no 0.198 0 0
1 75 ASP QB 106 no 50.0 100.0 0.012 0.012 0.000 6 0 no 0.000 0 0
1 76 LEU QB 47 no 83.3 69.1 0.002 0.004 0.001 11 3 no 0.157 0 0
1 76 LEU QD 11 no 100.0 94.4 1.145 1.213 0.068 37 17 no 0.325 0 0
1 77 VAL QG 9 no 100.0 97.4 6.244 6.408 0.164 40 15 no 0.346 0 0
1 78 PRO QB 225 no 100.0 100.0 0.046 0.046 0.000 1 0 no 0.000 0 0
1 78 PRO QD 183 no 100.0 100.0 0.017 0.017 0.000 3 2 no 0.279 0 0
1 78 PRO QG 208 no 96.7 86.1 0.055 0.063 0.009 2 1 no 0.238 0 0
1 79 SER QB 114 no 86.7 99.4 0.533 0.537 0.003 6 2 no 0.207 0 0
1 80 LEU QB 29 no 46.7 16.4 0.003 0.017 0.014 14 7 no 0.194 0 0
1 80 LEU QD 10 no 100.0 66.1 0.226 0.342 0.116 38 19 no 0.285 0 0
1 81 GLN QB 42 no 100.0 85.0 0.197 0.232 0.035 12 6 no 0.191 0 0
1 81 GLN QE 122 no 10.0 100.0 0.001 0.001 0.000 6 6 no 0.000 0 0
1 81 GLN QG 35 no 46.7 99.0 0.101 0.102 0.001 13 8 no 0.073 0 0
1 82 LEU QB 84 no 100.0 100.0 0.000 0.000 0.000 8 5 no 0.021 0 0
1 82 LEU QD 7 no 100.0 99.9 4.572 4.577 0.005 43 26 no 0.132 0 0
1 83 ASP QB 90 no 86.7 99.9 1.544 1.545 0.001 7 2 no 0.124 0 0
1 84 PRO QB 178 no 100.0 100.0 0.008 0.008 0.000 3 1 no 0.105 0 0
1 84 PRO QD 160 no 100.0 100.0 0.000 0.000 0.000 4 1 no 0.023 0 0
1 86 GLN QB 89 no 26.7 93.0 0.002 0.003 0.000 7 1 no 0.047 0 0
1 86 GLN QE 96 no 26.7 99.8 0.084 0.084 0.000 7 4 no 0.039 0 0
1 86 GLN QG 32 no 96.7 98.2 0.702 0.715 0.013 13 6 no 0.286 0 0
1 87 ILE QG 65 no 100.0 99.8 1.061 1.064 0.003 9 2 no 0.081 0 0
1 88 TYR QB 24 no 100.0 100.0 0.007 0.007 0.000 18 8 no 0.154 0 0
1 89 ARG QB 77 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 90 VAL QG 6 no 100.0 99.8 9.365 9.386 0.021 44 16 no 0.189 0 0
1 92 TRP QB 46 no 100.0 100.0 0.003 0.003 0.000 11 3 no 0.147 0 0
1 93 PHE QB 173 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 94 ILE QG 105 no 96.7 99.0 2.631 2.659 0.027 6 0 no 0.229 0 0
1 96 TRP QB 172 no 56.7 9.7 0.001 0.010 0.009 3 0 no 0.141 0 0
1 97 SER QB 155 no 46.7 89.5 0.012 0.013 0.001 4 0 no 0.116 0 0
1 98 PRO QB 224 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 99 CYS QB 223 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 100 PHE QB 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 102 TRP QB 171 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 103 GLY QA 126 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.017 0 0
1 104 CYS QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 106 GLY QA 87 no 96.7 99.7 0.048 0.048 0.000 7 0 no 0.041 0 0
1 107 GLU QB 139 no 3.3 98.7 0.041 0.042 0.001 5 3 no 0.116 0 0
1 108 VAL QG 16 no 100.0 99.9 2.233 2.234 0.001 24 6 no 0.102 0 0
1 109 ARG QB 198 no 46.7 97.9 0.024 0.024 0.001 2 0 no 0.064 0 0
1 111 PHE QB 38 no 90.0 100.0 0.315 0.315 0.000 12 3 no 0.000 0 0
1 112 LEU QB 135 no 13.3 100.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 112 LEU QD 23 no 70.0 97.3 0.303 0.311 0.008 18 3 no 0.183 0 0
1 113 GLN QB 71 no 96.7 98.1 0.000 0.000 0.000 9 5 no 0.059 0 0
1 113 GLN QE 41 no 100.0 99.5 2.787 2.803 0.015 12 6 no 0.210 0 0
1 113 GLN QG 34 no 100.0 100.0 0.001 0.001 0.000 13 8 no 0.122 0 0
1 114 GLU QB 31 no 3.3 4.5 0.001 0.022 0.021 13 5 no 0.432 0 0
1 114 GLU QG 26 no 13.3 12.3 0.003 0.028 0.024 15 4 no 0.174 0 0
1 115 ASN QB 134 no 100.0 100.0 0.138 0.138 0.000 5 2 no 0.040 0 0
1 117 HIS QB 153 no 43.3 100.0 0.006 0.006 0.000 4 0 no 0.000 0 0
1 118 VAL QG 3 no 100.0 99.4 20.085 20.213 0.128 54 17 no 0.351 0 0
1 119 ARG QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 120 LEU QB 58 no 76.7 97.7 0.124 0.127 0.003 10 5 no 0.096 0 0
1 120 LEU QD 2 no 100.0 98.9 4.700 4.751 0.051 55 16 no 0.209 0 0
1 121 ARG QB 222 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 122 ILE QG 138 no 53.3 100.0 0.172 0.172 0.000 5 3 no 0.028 0 0
1 123 PHE QB 151 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.043 0 0
1 127 ILE QG 170 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 128 TYR QB 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 129 ASP QB 221 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 130 TYR QB 197 no 10.0 100.0 0.016 0.016 0.000 2 0 no 0.000 0 0
1 131 ASP QB 220 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 133 LEU QB 133 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 133 LEU QD 25 no 86.7 99.9 1.009 1.009 0.001 17 2 no 0.085 0 0
1 134 TYR QB 196 no 60.0 100.0 0.098 0.098 0.000 2 0 no 0.000 0 0
1 135 LYS QB 219 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 135 LYS QD 59 no 23.3 92.8 0.123 0.133 0.009 10 6 no 0.247 0 0
1 135 LYS QE 142 no 40.0 100.0 0.036 0.036 0.000 5 4 no 0.009 0 0
1 135 LYS QG 212 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 138 LEU QB 218 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 138 LEU QD 30 no 66.7 99.9 0.701 0.701 0.001 13 4 no 0.062 0 0
1 139 GLN QB 217 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 139 GLN QE 166 no 3.3 24.0 0.000 0.000 0.000 4 4 no 0.017 0 0
1 139 GLN QG 165 no 96.7 68.4 0.000 0.000 0.000 4 4 no 0.017 0 0
1 140 MET QG 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 141 LEU QB 182 no 100.0 100.0 0.004 0.004 0.000 3 2 no 0.129 0 0
1 141 LEU QD 22 no 100.0 99.9 4.180 4.184 0.003 19 8 no 0.101 0 0
1 142 ARG QB 112 no 70.0 99.8 1.442 1.445 0.002 6 1 no 0.132 0 0
1 142 ARG QD 163 no 76.7 99.4 0.355 0.357 0.002 4 2 no 0.186 0 0
1 142 ARG QG 159 no 100.0 99.9 1.974 1.977 0.003 4 1 no 0.155 0 0
1 143 ASP QB 150 no 10.0 100.0 0.003 0.003 0.000 4 0 no 0.000 0 0
1 145 GLY QA 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 147 GLN QB 131 no 100.0 99.1 0.529 0.534 0.005 5 1 no 0.176 0 0
1 147 GLN QE 119 no 100.0 11.2 0.000 0.004 0.004 6 5 no 0.104 0 0
1 147 GLN QG 54 no 23.3 56.5 0.010 0.018 0.008 10 4 no 0.133 0 0
1 148 VAL QG 15 no 96.7 99.3 3.109 3.130 0.021 29 10 no 0.199 0 0
1 149 SER QB 45 no 23.3 85.9 0.007 0.009 0.001 11 0 no 0.117 0 0
1 150 ILE QG 130 no 36.7 99.4 0.024 0.025 0.000 5 1 no 0.059 0 0
1 153 TYR QB 158 no 6.7 90.6 0.001 0.001 0.000 4 1 no 0.033 0 0
1 154 ASP QB 148 no 90.0 99.9 0.122 0.122 0.000 4 0 no 0.032 0 0
1 155 GLU QB 169 no 93.3 89.5 0.010 0.012 0.001 3 0 no 0.162 0 0
1 155 GLU QG 194 no 33.3 92.9 0.003 0.003 0.000 2 0 no 0.038 0 0
1 156 PHE QB 125 no 10.0 100.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 157 GLU QB 76 no 30.0 97.2 0.029 0.030 0.001 8 0 no 0.143 0 0
1 157 GLU QG 147 no 53.3 98.4 0.074 0.075 0.001 4 0 no 0.178 0 0
1 158 TYR QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 159 CYS QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 160 TRP QB 102 no 33.3 100.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 161 ASP QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 163 PHE QB 129 no 100.0 100.0 0.001 0.001 0.000 5 1 no 0.058 0 0
1 164 VAL QG 4 no 100.0 99.9 4.223 4.228 0.004 51 13 no 0.217 0 0
1 166 ARG QD 67 no 90.0 99.6 2.192 2.200 0.008 9 3 no 0.217 0 0
1 168 GLY QA 168 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 169 CYS QB 86 no 100.0 99.7 1.258 1.261 0.004 7 0 no 0.161 0 0
1 170 PRO QB 216 no 6.7 100.0 0.004 0.004 0.000 1 0 no 0.000 0 0
1 171 PHE QB 62 no 96.7 72.3 0.096 0.133 0.037 9 0 no 0.335 0 0
1 172 GLN QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 172 GLN QE 211 no 100.0 100.0 0.001 0.001 0.000 2 2 no 0.110 0 0
1 172 GLN QG 181 no 43.3 76.4 0.003 0.004 0.001 3 2 no 0.110 0 0
1 173 PRO QB 167 no 30.0 100.0 0.086 0.086 0.000 3 0 no 0.000 0 0
1 173 PRO QD 162 no 23.3 99.9 0.046 0.046 0.000 4 2 no 0.028 0 0
1 173 PRO QG 132 no 100.0 100.0 0.000 0.000 0.000 5 2 no 0.054 0 0
1 174 TRP QB 101 no 33.3 95.8 0.075 0.079 0.003 6 0 no 0.213 0 0
1 175 ASP QB 100 no 66.7 75.1 0.153 0.203 0.050 6 0 no 0.392 0 0
1 176 GLY QA 124 no 100.0 0.0 0.000 0.001 0.001 5 0 no 0.058 0 0
1 177 LEU QB 207 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 177 LEU QD 13 no 100.0 99.9 20.981 20.993 0.012 35 5 no 0.177 0 0
1 178 GLU QB 53 no 50.0 97.3 0.167 0.172 0.005 10 4 no 0.164 0 0
1 178 GLU QG 93 no 50.0 99.8 0.194 0.195 0.000 7 3 no 0.068 0 0
1 179 GLU QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 180 HIS QB 215 no 6.7 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 182 GLN QB 39 no 93.3 97.5 0.192 0.197 0.005 12 4 no 0.332 0 0
1 182 GLN QE 141 no 13.3 95.1 0.091 0.096 0.005 5 4 no 0.263 0 0
1 182 GLN QG 27 no 100.0 0.9 0.000 0.021 0.021 15 8 no 0.453 0 0
1 184 LEU QB 137 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 184 LEU QD 28 no 36.7 99.9 0.158 0.158 0.000 14 4 no 0.059 0 0
1 185 SER QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 186 GLY QA 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 187 ARG QB 186 no 20.0 98.8 0.093 0.094 0.001 2 0 no 0.117 0 0
1 188 LEU QB 177 no 76.7 100.0 0.595 0.595 0.000 3 1 no 0.044 0 0
1 188 LEU QD 146 no 100.0 100.0 1.795 1.796 0.001 4 0 no 0.099 0 0
1 189 ARG QB 52 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.059 0 0
1 189 ARG QD 33 no 83.3 98.8 0.093 0.094 0.001 13 8 no 0.153 0 0
1 189 ARG QG 80 no 30.0 24.9 0.000 0.000 0.000 8 4 no 0.056 0 0
1 191 ILE QG 123 no 73.3 99.6 0.364 0.366 0.002 5 0 no 0.103 0 0
1 192 LEU QB 145 no 83.3 84.5 0.000 0.001 0.000 4 0 no 0.065 0 0
1 192 LEU QD 185 no 53.3 99.8 0.356 0.356 0.001 2 0 no 0.080 0 0
1 193 GLN QB 157 no 100.0 100.0 0.157 0.157 0.000 4 1 no 0.000 0 0
1 193 GLN QG 176 no 70.0 99.9 0.230 0.230 0.000 3 1 no 0.049 0 0
1 194 ASN QB 117 no 90.0 99.3 0.223 0.225 0.002 6 4 no 0.154 0 0
1 194 ASN QD 95 no 96.7 97.3 0.009 0.009 0.000 7 4 no 0.301 0 0
1 195 GLN QB 57 no 63.3 93.3 0.004 0.005 0.000 10 5 no 0.038 0 0
1 195 GLN QE 144 no 100.0 100.0 0.034 0.034 0.000 5 5 no 0.194 0 0
1 195 GLN QG 116 no 100.0 92.7 0.437 0.471 0.034 6 4 no 0.194 0 0
1 196 GLY QA 214 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 197 ASN QB 161 no 46.7 99.0 0.004 0.004 0.000 4 2 no 0.033 0 0
1 197 ASN QD 210 no 36.7 99.8 0.020 0.020 0.000 2 2 no 0.033 0 0
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 10:16:48 PM GMT (wattos1)