NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
503170 |
2lah   |
17524 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lah
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 246
_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 0.646
_Stereo_assign_list.Total_e_high_states 523.930
_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 11 MET QB 246 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 MET QG 231 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 12 ASP QB 110 no 95.0 99.8 1.555 1.558 0.003 13 4 no 0.210 0 0
1 14 PRO QB 230 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 PRO QD 183 no 100.0 99.1 0.583 0.588 0.005 7 0 no 0.226 0 0
1 14 PRO QG 185 no 100.0 98.6 0.376 0.381 0.005 7 2 no 0.149 0 0
1 15 GLU QB 126 no 100.0 99.7 1.736 1.742 0.005 12 6 no 0.149 0 0
1 15 GLU QG 144 no 100.0 100.0 0.049 0.049 0.000 10 3 no 0.000 0 0
1 16 ASN QB 149 no 100.0 100.0 0.955 0.955 0.000 10 5 no 0.059 0 0
1 16 ASN QD 79 no 75.0 99.3 0.144 0.145 0.001 17 6 no 0.071 0 0
1 17 VAL QG 12 no 100.0 100.0 15.727 15.731 0.004 48 8 no 0.210 0 0
1 18 LEU QB 67 no 95.0 100.0 0.081 0.081 0.000 18 6 no 0.000 0 0
1 18 LEU QD 1 no 100.0 99.6 20.183 20.272 0.089 76 25 no 0.398 0 0
1 19 GLN QB 182 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 19 GLN QE 148 no 50.0 100.0 0.006 0.006 0.000 10 4 no 0.000 0 0
1 19 GLN QG 229 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.066 0 0
1 20 MET QB 167 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 20 MET QG 141 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 21 LEU QB 172 no 65.0 100.0 0.041 0.041 0.000 8 3 no 0.000 0 0
1 21 LEU QD 2 no 100.0 99.9 9.535 9.546 0.011 67 13 no 0.173 0 0
1 22 GLU QB 87 no 100.0 100.0 0.287 0.287 0.000 16 6 no 0.000 0 0
1 22 GLU QG 104 no 100.0 0.0 0.000 0.004 0.004 14 6 no 0.129 0 0
1 24 HIS QB 228 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 25 MET QB 203 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 25 MET QG 202 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 26 GLN QB 122 no 100.0 100.0 0.221 0.221 0.000 12 5 no 0.000 0 0
1 26 GLN QE 65 no 100.0 99.9 1.167 1.169 0.002 19 10 no 0.133 0 0
1 26 GLN QG 78 no 100.0 100.0 0.070 0.070 0.000 17 6 no 0.000 0 0
1 27 SER QB 227 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 28 TYR QB 201 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.114 0 0
1 29 LYS QB 235 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 29 LYS QD 245 no 0.0 0.0 0.000 0.001 0.001 2 0 no 0.167 0 0
1 29 LYS QE 152 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 29 LYS QG 211 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 33 PRO QB 200 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 33 PRO QG 127 no 100.0 99.9 0.639 0.640 0.001 11 0 no 0.063 0 0
1 34 LEU QB 181 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 34 LEU QD 6 no 100.0 100.0 9.870 9.870 0.000 61 18 no 0.047 0 0
1 35 GLY QA 210 no 100.0 100.0 0.263 0.263 0.000 6 4 no 0.000 0 0
1 36 GLU QB 226 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 GLU QG 199 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 37 TRP QB 109 no 100.0 100.0 0.157 0.157 0.000 13 4 no 0.000 0 0
1 38 GLU QB 112 no 100.0 0.0 0.000 0.000 0.000 13 5 no 0.000 0 0
1 38 GLU QG 180 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 39 ARG QB 198 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 39 ARG QD 171 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 39 ARG QG 166 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 40 TYR QB 225 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 41 ILE QG 76 no 100.0 99.8 1.053 1.055 0.002 17 5 no 0.086 0 0
1 42 GLN QB 135 no 50.0 100.0 0.007 0.007 0.000 11 5 no 0.000 0 0
1 42 GLN QE 70 no 100.0 99.5 2.752 2.765 0.013 18 11 no 0.221 0 0
1 42 GLN QG 72 no 5.0 95.4 0.007 0.007 0.000 17 3 no 0.046 0 0
1 43 TRP QB 197 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 44 VAL QG 13 no 100.0 100.0 8.135 8.137 0.002 46 9 no 0.130 0 0
1 45 GLU QB 120 no 100.0 100.0 0.507 0.507 0.000 12 4 no 0.030 0 0
1 45 GLU QG 75 no 70.0 98.6 0.156 0.158 0.002 17 5 no 0.149 0 0
1 46 GLU QB 103 no 100.0 99.9 0.546 0.546 0.001 14 6 no 0.058 0 0
1 46 GLU QG 58 no 100.0 99.6 1.005 1.008 0.004 20 10 no 0.139 0 0
1 47 ASN QB 96 no 100.0 100.0 0.465 0.466 0.000 14 1 no 0.041 0 0
1 47 ASN QD 44 no 100.0 99.8 0.801 0.803 0.002 21 8 no 0.139 0 0
1 48 PHE QB 204 no 5.0 100.0 0.001 0.001 0.000 6 1 no 0.000 0 0
1 49 PRO QB 236 no 100.0 100.0 0.435 0.435 0.000 3 0 no 0.000 0 0
1 49 PRO QD 196 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 49 PRO QG 224 no 100.0 100.0 1.278 1.278 0.000 4 0 no 0.044 0 0
1 50 GLU QB 212 no 100.0 100.0 0.015 0.015 0.000 5 0 no 0.000 0 0
1 50 GLU QG 223 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.062 0 0
1 51 ASN QB 195 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 51 ASN QD 222 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.040 0 0
1 52 LYS QB 89 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.039 0 0
1 52 LYS QD 151 no 100.0 0.0 0.000 0.003 0.003 10 6 no 0.140 0 0
1 52 LYS QE 209 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 52 LYS QG 179 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.009 0 0
1 53 GLU QB 157 no 100.0 100.0 0.447 0.447 0.000 9 1 no 0.000 0 0
1 53 GLU QG 194 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
1 54 TYR QB 178 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 55 LEU QB 88 no 15.0 89.5 0.007 0.008 0.001 16 7 no 0.130 0 0
1 55 LEU QD 17 no 100.0 99.9 16.565 16.581 0.016 42 20 no 0.254 0 0
1 56 ILE QG 37 no 80.0 91.8 0.009 0.010 0.001 22 5 no 0.083 0 0
1 58 LEU QB 73 no 85.0 93.1 0.044 0.047 0.003 17 4 no 0.111 0 0
1 58 LEU QD 24 no 100.0 0.0 0.000 0.018 0.018 26 12 no 0.288 0 0
1 59 LEU QB 66 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.000 0 0
1 59 LEU QD 11 no 100.0 99.9 12.034 12.047 0.014 52 23 no 0.191 0 0
1 60 GLU QB 165 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.138 0 0
1 60 GLU QG 82 no 100.0 98.7 1.249 1.266 0.017 16 1 no 0.244 0 0
1 61 HIS QB 119 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 62 LEU QB 51 no 100.0 99.9 0.469 0.469 0.001 20 5 no 0.102 0 0
1 62 LEU QD 8 no 100.0 100.0 14.691 14.692 0.001 57 16 no 0.104 0 0
1 63 MET QB 116 no 100.0 99.8 2.427 2.431 0.004 12 2 no 0.146 0 0
1 63 MET QG 40 no 100.0 99.9 5.629 5.632 0.003 21 4 no 0.115 0 0
1 64 LYS QB 177 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 64 LYS QD 221 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 64 LYS QE 176 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 64 LYS QG 164 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.110 0 0
1 65 GLU QB 91 no 100.0 100.0 0.024 0.024 0.000 15 2 no 0.000 0 0
1 65 GLU QG 59 no 100.0 100.0 0.347 0.347 0.000 19 2 no 0.009 0 0
1 66 PHE QB 163 no 95.0 100.0 0.317 0.317 0.000 8 0 no 0.000 0 0
1 67 LEU QB 99 no 100.0 100.0 0.063 0.063 0.000 14 4 no 0.000 0 0
1 67 LEU QD 31 no 100.0 99.8 6.717 6.729 0.012 24 10 no 0.146 0 0
1 68 ASP QB 220 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 69 LYS QB 41 no 45.0 99.9 0.007 0.007 0.000 21 6 no 0.014 0 0
1 69 LYS QD 170 no 0.0 0.0 0.000 0.012 0.012 8 2 no 0.332 0 0
1 69 LYS QE 234 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 69 LYS QG 156 no 100.0 100.0 0.457 0.457 0.000 9 0 no 0.064 0 0
1 70 LYS QB 155 no 100.0 98.9 0.144 0.146 0.002 9 0 no 0.175 0 0
1 70 LYS QD 244 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 LYS QE 219 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 LYS QG 218 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 LYS QB 208 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 71 LYS QD 243 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 LYS QE 207 no 100.0 0.0 0.000 0.002 0.002 6 4 no 0.162 0 0
1 71 LYS QG 217 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 72 TYR QB 140 no 100.0 100.0 0.472 0.472 0.000 10 0 no 0.012 0 0
1 73 HIS QB 139 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.061 0 0
1 74 ASN QB 147 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.032 0 0
1 74 ASN QD 53 no 70.0 99.3 0.114 0.115 0.001 20 6 no 0.097 0 0
1 75 ASP QB 193 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 76 PRO QB 138 no 95.0 100.0 1.131 1.131 0.000 10 0 no 0.054 0 0
1 76 PRO QD 192 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 76 PRO QG 191 no 100.0 100.0 2.603 2.603 0.000 6 0 no 0.000 0 0
1 77 ARG QB 158 no 30.0 100.0 0.117 0.117 0.000 9 2 no 0.029 0 0
1 77 ARG QD 216 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.138 0 0
1 77 ARG QG 215 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 78 PHE QB 133 no 15.0 100.0 0.024 0.024 0.000 11 4 no 0.008 0 0
1 79 ILE QG 36 no 100.0 100.0 0.786 0.786 0.000 23 11 no 0.000 0 0
1 80 SER QB 49 no 100.0 100.0 1.112 1.112 0.000 20 4 no 0.064 0 0
1 81 TYR QB 132 no 100.0 0.0 0.000 0.000 0.000 11 4 no 0.000 0 0
1 82 CYS QB 30 no 100.0 99.6 2.428 2.437 0.009 24 8 no 0.159 0 0
1 83 LEU QB 86 no 100.0 100.0 0.480 0.480 0.000 16 5 no 0.000 0 0
1 83 LEU QD 18 no 100.0 100.0 16.005 16.006 0.001 41 13 no 0.091 0 0
1 84 LYS QB 118 no 100.0 96.7 0.291 0.301 0.010 12 4 no 0.172 0 0
1 84 LYS QD 35 no 100.0 96.3 0.749 0.778 0.029 23 10 no 0.257 0 0
1 84 LYS QE 69 no 100.0 97.4 0.828 0.850 0.022 18 11 no 0.400 0 0
1 84 LYS QG 32 no 100.0 99.2 1.654 1.667 0.013 24 11 no 0.400 0 0
1 85 PHE QB 161 no 100.0 99.5 2.588 2.600 0.012 9 4 no 0.160 0 0
1 87 GLU QB 129 no 100.0 100.0 1.126 1.126 0.000 11 2 no 0.061 0 0
1 87 GLU QG 39 no 100.0 99.5 0.174 0.175 0.001 21 4 no 0.099 0 0
1 88 TYR QB 128 no 25.0 100.0 0.002 0.002 0.000 11 1 no 0.000 0 0
1 89 ASN QB 97 no 100.0 100.0 0.646 0.646 0.000 14 3 no 0.038 0 0
1 89 ASN QD 48 no 85.0 99.6 0.356 0.357 0.001 20 3 no 0.117 0 0
1 90 SER QB 242 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 ASP QB 175 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.021 0 0
1 92 LEU QB 61 no 100.0 100.0 1.646 1.646 0.000 19 5 no 0.000 0 0
1 92 LEU QD 9 no 100.0 99.8 19.941 19.971 0.030 57 19 no 0.284 0 0
1 93 HIS QB 169 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 94 GLN QB 68 no 100.0 100.0 0.798 0.799 0.000 18 8 no 0.042 0 0
1 94 GLN QE 187 no 100.0 99.8 0.750 0.751 0.002 7 5 no 0.160 0 0
1 94 GLN QG 57 no 100.0 100.0 0.698 0.698 0.000 20 9 no 0.021 0 0
1 95 PHE QB 143 no 100.0 0.0 0.000 0.001 0.001 10 1 no 0.118 0 0
1 96 PHE QB 106 no 100.0 100.0 0.389 0.389 0.000 14 7 no 0.003 0 0
1 97 GLU QB 60 no 100.0 100.0 1.360 1.360 0.000 19 5 no 0.078 0 0
1 97 GLU QG 190 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 98 PHE QB 206 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 99 LEU QB 146 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 99 LEU QD 7 no 100.0 100.0 21.753 21.753 0.000 59 18 no 0.028 0 0
1 100 TYR QB 142 no 40.0 100.0 0.026 0.026 0.000 10 1 no 0.000 0 0
1 101 ASN QB 174 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 101 ASN QD 150 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.027 0 0
1 102 HIS QB 108 no 100.0 100.0 0.509 0.509 0.000 13 3 no 0.000 0 0
1 103 GLY QA 241 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 ILE QG 50 no 100.0 95.7 0.333 0.348 0.015 20 5 no 0.206 0 0
1 105 GLY QA 95 no 100.0 99.9 1.213 1.214 0.001 15 9 no 0.065 0 0
1 107 LEU QB 43 no 100.0 99.9 0.287 0.288 0.000 21 8 no 0.046 0 0
1 107 LEU QD 19 no 100.0 100.0 22.031 22.032 0.001 35 15 no 0.097 0 0
1 108 SER QB 21 no 100.0 100.0 1.125 1.125 0.000 29 15 no 0.005 0 0
1 109 SER QB 145 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 110 PRO QB 121 no 75.0 99.6 0.220 0.221 0.001 12 5 no 0.091 0 0
1 110 PRO QD 136 no 100.0 100.0 0.473 0.473 0.000 11 6 no 0.000 0 0
1 110 PRO QG 186 no 100.0 100.0 2.232 2.232 0.000 7 3 no 0.017 0 0
1 111 LEU QB 107 no 100.0 100.0 0.187 0.187 0.000 14 8 no 0.017 0 0
1 111 LEU QD 15 no 100.0 100.0 23.439 23.441 0.002 43 13 no 0.094 0 0
1 112 TYR QB 160 no 100.0 100.0 0.492 0.492 0.000 9 4 no 0.015 0 0
1 113 ILE QG 33 no 100.0 99.9 0.765 0.766 0.001 23 6 no 0.094 0 0
1 115 TRP QB 205 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 117 GLY QA 168 no 75.0 100.0 0.064 0.064 0.000 8 2 no 0.000 0 0
1 118 HIS QB 102 no 95.0 98.9 0.087 0.088 0.001 14 6 no 0.121 0 0
1 119 LEU QB 34 no 100.0 98.8 1.857 1.879 0.023 23 8 no 0.216 0 0
1 119 LEU QD 5 no 100.0 100.0 23.826 23.829 0.002 63 19 no 0.167 0 0
1 120 GLU QB 38 no 100.0 99.7 1.280 1.284 0.003 21 4 no 0.121 0 0
1 120 GLU QG 74 no 100.0 99.9 1.636 1.637 0.001 17 5 no 0.076 0 0
1 122 GLN QB 111 no 100.0 100.0 0.117 0.117 0.000 13 5 no 0.000 0 0
1 122 GLN QE 45 no 100.0 99.9 1.564 1.565 0.001 21 9 no 0.085 0 0
1 122 GLN QG 29 no 100.0 99.9 3.675 3.678 0.003 24 8 no 0.139 0 0
1 123 GLY QA 184 no 100.0 100.0 0.329 0.329 0.000 7 2 no 0.000 0 0
1 124 GLU QB 84 no 100.0 97.6 0.129 0.132 0.003 16 4 no 0.122 0 0
1 124 GLU QG 125 no 100.0 0.0 0.000 0.013 0.013 12 6 no 0.216 0 0
1 125 LEU QB 63 no 100.0 98.9 0.398 0.402 0.004 19 7 no 0.142 0 0
1 125 LEU QD 14 no 100.0 99.9 23.743 23.772 0.029 44 17 no 0.224 0 0
1 126 GLN QB 114 no 100.0 100.0 1.341 1.341 0.000 13 6 no 0.000 0 0
1 126 GLN QE 153 no 100.0 0.0 0.000 0.000 0.000 10 10 no 0.017 0 0
1 126 GLN QG 240 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 127 HIS QB 93 no 100.0 100.0 0.288 0.288 0.000 15 7 no 0.000 0 0
1 129 SER QB 233 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.018 0 0
1 131 VAL QG 3 no 100.0 100.0 24.177 24.177 0.001 67 20 no 0.099 0 0
1 132 LEU QB 62 no 100.0 100.0 0.564 0.564 0.000 19 7 no 0.051 0 0
1 132 LEU QD 4 no 100.0 100.0 27.614 27.614 0.000 66 19 no 0.015 0 0
1 133 GLN QB 100 no 100.0 100.0 2.974 2.974 0.000 14 5 no 0.045 0 0
1 133 GLN QE 131 no 100.0 99.9 5.716 5.720 0.004 11 4 no 0.116 0 0
1 133 GLN QG 28 no 100.0 96.6 0.571 0.591 0.020 24 6 no 0.193 0 0
1 134 ARG QB 64 no 50.0 100.0 0.003 0.003 0.000 19 9 no 0.000 0 0
1 134 ARG QD 25 no 100.0 99.8 0.441 0.442 0.001 25 12 no 0.116 0 0
1 134 ARG QG 27 no 100.0 99.6 3.754 3.770 0.015 25 13 no 0.210 0 0
1 135 GLY QA 52 no 100.0 100.0 0.167 0.167 0.000 20 6 no 0.004 0 0
1 136 ILE QG 85 no 100.0 99.7 2.798 2.807 0.009 16 5 no 0.164 0 0
1 137 GLN QB 159 no 100.0 100.0 0.452 0.452 0.000 9 4 no 0.000 0 0
1 137 GLN QE 80 no 100.0 99.8 0.624 0.626 0.001 17 10 no 0.116 0 0
1 137 GLN QG 134 no 100.0 99.6 4.671 4.691 0.020 11 5 no 0.194 0 0
1 138 ASN QB 105 no 100.0 100.0 0.829 0.829 0.000 14 7 no 0.000 0 0
1 138 ASN QD 46 no 85.0 99.1 0.100 0.101 0.001 21 11 no 0.116 0 0
1 139 GLN QB 239 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 139 GLN QE 71 no 100.0 100.0 2.320 2.320 0.000 17 1 no 0.000 0 0
1 139 GLN QG 232 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 141 GLU QB 214 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 141 GLU QG 189 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.114 0 0
1 142 PRO QB 173 no 100.0 100.0 2.410 2.410 0.000 8 4 no 0.000 0 0
1 142 PRO QD 124 no 95.0 100.0 0.138 0.138 0.000 12 6 no 0.000 0 0
1 142 PRO QG 94 no 100.0 99.9 1.328 1.330 0.001 15 8 no 0.156 0 0
1 144 GLU QG 213 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 145 PHE QB 90 no 100.0 99.9 0.768 0.769 0.000 16 12 no 0.073 0 0
1 146 LEU QB 83 no 100.0 99.8 0.682 0.683 0.001 16 3 no 0.091 0 0
1 146 LEU QD 10 no 100.0 100.0 34.079 34.090 0.011 54 19 no 0.188 0 0
1 147 GLN QB 115 no 100.0 100.0 0.122 0.122 0.000 13 7 no 0.000 0 0
1 147 GLN QE 56 no 100.0 99.8 3.695 3.704 0.009 20 9 no 0.164 0 0
1 147 GLN QG 42 no 100.0 99.1 0.692 0.698 0.006 21 8 no 0.141 0 0
1 148 GLN QB 81 no 100.0 98.4 0.096 0.097 0.002 17 11 no 0.108 0 0
1 148 GLN QE 162 no 70.0 99.7 0.097 0.097 0.000 9 8 no 0.062 0 0
1 148 GLN QG 55 no 100.0 99.8 1.861 1.865 0.004 20 9 no 0.106 0 0
1 149 GLN QB 130 no 90.0 100.0 0.052 0.052 0.000 11 3 no 0.000 0 0
1 149 GLN QE 47 no 100.0 99.7 1.300 1.304 0.004 21 12 no 0.190 0 0
1 149 GLN QG 22 no 100.0 100.0 4.538 4.540 0.002 28 10 no 0.108 0 0
1 150 TYR QB 77 no 100.0 100.0 1.054 1.054 0.000 17 6 no 0.000 0 0
1 151 ARG QB 117 no 100.0 100.0 2.082 2.082 0.000 12 4 no 0.000 0 0
1 151 ARG QD 238 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 151 ARG QG 98 no 100.0 100.0 0.930 0.930 0.000 14 4 no 0.019 0 0
1 152 LEU QB 101 no 100.0 100.0 0.199 0.199 0.000 14 6 no 0.000 0 0
1 152 LEU QD 26 no 100.0 100.0 26.771 26.775 0.004 25 13 no 0.106 0 0
1 153 PHE QB 54 no 100.0 100.0 0.999 0.999 0.000 20 9 no 0.000 0 0
1 154 GLN QB 137 no 100.0 99.7 0.191 0.191 0.000 10 0 no 0.079 0 0
1 154 GLN QE 20 no 100.0 99.3 1.260 1.269 0.009 29 11 no 0.207 0 0
1 154 GLN QG 23 no 100.0 99.9 1.621 1.623 0.002 27 9 no 0.112 0 0
1 156 ARG QB 113 no 100.0 100.0 0.103 0.103 0.000 13 6 no 0.000 0 0
1 156 ARG QD 123 no 100.0 100.0 0.072 0.073 0.000 12 6 no 0.010 0 0
1 156 ARG QG 154 no 100.0 100.0 1.812 1.812 0.000 9 0 no 0.000 0 0
1 157 LEU QB 92 no 100.0 99.9 0.768 0.768 0.001 15 5 no 0.105 0 0
1 157 LEU QD 16 no 100.0 100.0 18.646 18.650 0.004 42 18 no 0.097 0 0
1 159 GLU QB 237 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 159 GLU QG 188 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.037 0 0
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 9:32:32 AM GMT (wattos1)