NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483560 |
1yho   |
5981 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1yho
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 254
_Stereo_assign_list.Swap_count 2
_Stereo_assign_list.Swap_percentage 0.8
_Stereo_assign_list.Deassign_count 3
_Stereo_assign_list.Deassign_percentage 1.2
_Stereo_assign_list.Model_count 25
_Stereo_assign_list.Total_e_low_states 7.159
_Stereo_assign_list.Total_e_high_states 30.928
_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 VAL QG 243 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 2 GLY QA 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 3 SER QB 242 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 4 LEU QB 53 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 4 LEU QD 14 no 20.0 100.0 0.001 0.001 0.000 17 8 no 0.000 0 0
1 5 ASN QB 65 no 100.0 0.0 0.000 0.000 0.000 9 5 no 0.000 0 0
1 5 ASN QD 64 no 8.0 100.0 0.000 0.000 0.000 9 5 no 0.000 0 0
1 6 CYS QB 127 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 7 ILE QG 241 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 8 VAL QG 4 no 12.0 100.0 0.001 0.001 0.000 23 0 no 0.000 0 0
1 10 VAL QG 34 no 20.0 100.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 11 SER QB 25 no 20.0 0.0 0.000 3.982 3.982 13 2 no 0.013 0 0
1 12 GLN QB 217 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 12 GLN QE 24 no 76.0 100.0 0.088 0.088 0.000 13 1 no 0.001 0 0
1 13 ASN QB 63 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 13 ASN QD 91 no 32.0 100.0 0.062 0.062 0.000 7 4 no 0.000 0 0
1 14 MET QB 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 15 GLY QA 86 no 4.0 100.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 16 ILE QG 240 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 17 GLY QA 185 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 18 LYS QB 126 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 19 ASN QB 39 no 100.0 100.0 0.262 0.262 0.000 12 7 no 0.000 0 0
1 19 ASN QD 81 no 100.0 0.0 0.000 0.000 0.000 8 7 no 0.000 0 0
1 20 GLY QA 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 ASP QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 22 LEU QB 19 no 100.0 0.0 0.000 0.000 0.000 15 5 no 0.000 0 0
1 22 LEU QD 38 no 100.0 100.0 0.543 0.543 0.000 12 4 no 0.000 0 0
1 23 PRO QB 254 no 4.0 100.0 0.001 0.001 0.000 1 1 no 0.000 0 0
1 23 PRO QD 132 no 100.0 100.0 0.182 0.182 0.000 5 1 no 0.000 0 0
1 24 TRP QB 58 no 16.0 92.7 0.008 0.009 0.001 9 3 no 0.000 0 0
1 25 PRO QD 109 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 26 PRO QB 131 no 44.0 100.0 0.198 0.198 0.000 5 1 no 0.000 0 0
1 27 LEU QB 20 no 100.0 0.0 0.000 0.000 0.000 15 8 no 0.000 0 0
1 27 LEU QD 2 no 100.0 100.0 0.182 0.182 0.000 32 9 no 0.000 0 0
1 28 ARG QB 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 28 ARG QD 195 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 28 ARG QG 194 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 29 ASN QB 22 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 29 ASN QD 46 no 16.0 100.0 0.036 0.036 0.000 11 9 no 0.000 0 0
1 30 GLU QB 125 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 31 PHE QB 52 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 31 PHE QD 198 no 100.0 100.0 2.014 2.014 0.000 3 3 no 0.000 0 0
1 31 PHE QE 169 no 100.0 100.0 2.123 2.123 0.000 4 4 no 0.000 0 0
1 32 ARG QB 79 no 40.0 100.0 0.005 0.005 0.000 8 4 no 0.000 0 0
1 32 ARG QD 110 no 100.0 0.0 0.000 0.000 0.000 6 5 no 0.000 0 0
1 32 ARG QG 106 no 100.0 0.0 0.000 0.000 0.000 6 3 no 0.000 0 0
1 33 TYR QB 48 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 33 TYR QD 193 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 34 PHE QB 47 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 34 PHE QD 192 no 100.0 100.0 0.010 0.010 0.000 3 2 no 0.452 0 0
1 34 PHE QE 253 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 35 GLN QB 72 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 35 GLN QG 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 ARG QB 184 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 36 ARG QD 197 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 36 ARG QG 136 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 37 MET QB 183 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 41 SER QB 124 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 42 SER QB 239 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 43 VAL QG 123 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 44 GLU QB 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 44 GLU QG 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 45 GLY QA 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 LYS QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 46 LYS QE 191 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 46 LYS QG 133 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 47 GLN QB 252 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 47 GLN QE 28 no 100.0 0.0 0.000 0.000 0.000 13 3 no 0.000 0 0
1 47 GLN QG 221 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 48 ASN QB 15 no 32.0 99.4 0.005 0.005 0.000 16 7 no 0.028 0 0
1 48 ASN QD 31 no 92.0 100.0 0.205 0.205 0.000 13 7 no 0.028 0 0
1 49 LEU QB 122 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 49 LEU QD 182 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 50 VAL QG 33 no 80.0 100.0 0.505 0.505 0.000 12 0 no 0.000 0 0
1 52 MET QB 99 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 52 MET QG 238 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 53 GLY QA 121 no 88.0 100.0 0.039 0.039 0.000 5 0 no 0.000 0 0
1 54 LYS QB 156 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 55 LYS QB 98 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 57 TRP QB 71 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 58 PHE QB 36 no 100.0 0.0 0.000 0.000 0.000 12 3 no 0.000 0 0
1 58 PHE QD 162 no 92.0 99.4 0.232 0.233 0.001 4 2 no 0.179 0 0
1 58 PHE QE 216 no 60.0 100.0 0.099 0.099 0.000 2 1 no 0.000 0 0
1 59 SER QB 102 no 16.0 99.9 0.087 0.087 0.000 6 1 no 0.018 0 0
1 60 ILE QG 74 no 100.0 100.0 0.000 0.000 0.000 8 2 no 0.018 0 0
1 61 PRO QD 167 no 4.0 100.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 61 PRO QG 220 no 16.0 100.0 0.003 0.003 0.000 2 2 no 0.000 0 0
1 62 GLU QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 GLU QG 181 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 64 ASN QB 56 no 100.0 0.0 0.000 0.000 0.000 9 2 no 0.000 0 0
1 64 ASN QD 17 no 72.0 100.0 0.138 0.138 0.000 15 4 no 0.000 0 0
1 65 ARG QB 120 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 65 ARG QD 180 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.015 0 0
1 66 PRO QB 179 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 67 LEU QB 51 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 67 LEU QD 30 no 100.0 0.0 0.000 0.000 0.000 13 4 no 0.000 0 0
1 69 GLY QA 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 ARG QB 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 70 ARG QG 237 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 71 ILE QG 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 ASN QB 119 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 72 ASN QD 147 no 100.0 100.0 0.049 0.049 0.000 4 0 no 0.695 0 2
1 73 LEU QB 62 no 24.0 100.0 0.018 0.018 0.000 9 4 no 0.000 0 0
1 73 LEU QD 8 no 20.0 100.0 0.001 0.001 0.000 19 6 no 0.000 0 0
1 74 VAL QG 5 no 48.0 100.0 0.040 0.040 0.000 20 4 no 0.000 0 0
1 75 LEU QB 61 no 48.0 100.0 0.001 0.001 0.000 9 4 no 0.000 0 0
1 75 LEU QD 18 no 100.0 0.0 0.000 0.000 0.000 15 5 no 0.000 0 0
1 76 SER QB 9 no 100.0 100.0 0.024 0.024 0.000 19 7 no 0.688 0 1
1 77 ARG QB 70 no 100.0 100.0 0.530 0.530 0.000 8 0 no 0.006 0 0
1 77 ARG QD 251 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 77 ARG QG 250 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 78 GLU QB 188 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 78 GLU QG 249 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 79 LEU QB 135 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 79 LEU QD 27 no 88.0 98.5 0.118 0.120 0.002 13 3 no 0.214 0 0
1 80 LYS QB 55 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 81 GLU QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 82 PRO QB 166 no 100.0 0.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 82 PRO QD 45 no 100.0 0.0 0.000 0.000 0.000 11 7 no 0.000 0 0
1 82 PRO QG 168 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 83 PRO QB 118 no 100.0 100.0 1.434 1.435 0.000 5 0 no 0.012 0 0
1 83 PRO QD 196 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 83 PRO QG 248 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 84 GLN QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 84 GLN QG 236 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 85 GLY QA 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 HIS QB 23 no 100.0 0.0 0.000 0.000 0.000 13 0 no 0.000 0 0
1 88 PHE QB 35 no 100.0 0.0 0.000 0.000 0.000 12 3 no 0.000 0 0
1 88 PHE QD 165 no 16.0 100.0 0.115 0.115 0.000 4 3 no 0.000 0 0
1 88 PHE QE 215 no 16.0 100.0 0.133 0.133 0.000 2 1 no 0.000 0 0
1 89 LEU QB 89 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 89 LEU QD 1 no 100.0 99.9 1.910 1.912 0.002 36 10 no 0.214 0 0
1 90 SER QB 44 no 64.0 100.0 0.044 0.044 0.000 11 2 no 0.000 0 0
1 91 ARG QB 57 no 100.0 0.0 0.000 0.000 0.000 9 3 no 0.000 0 0
1 91 ARG QD 137 no 100.0 0.0 0.000 0.000 0.000 5 4 no 0.000 0 0
1 91 ARG QG 49 no 100.0 0.0 0.000 0.000 0.000 10 3 no 0.000 0 0
1 92 SER QB 117 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 93 LEU QB 29 no 100.0 0.0 0.000 0.000 0.000 13 4 no 0.000 0 0
1 93 LEU QD 66 no 16.0 100.0 0.044 0.044 0.000 9 6 no 0.000 0 0
1 94 ASP QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 ASP QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 97 LEU QB 75 no 100.0 0.0 0.000 0.000 0.000 8 3 no 0.000 0 0
1 97 LEU QD 26 no 100.0 0.0 0.000 0.000 0.000 13 3 no 0.000 0 0
1 99 LEU QB 190 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 99 LEU QD 7 no 28.0 100.0 0.063 0.063 0.000 19 4 no 0.000 0 0
1 101 GLU QB 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 102 GLN QB 116 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 103 PRO QB 161 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 103 PRO QD 160 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 105 LEU QB 13 no 100.0 0.0 0.000 0.000 0.000 17 7 no 0.000 0 0
1 105 LEU QD 11 no 100.0 0.0 0.000 0.000 0.000 18 7 no 0.000 0 0
1 107 ASN QB 108 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 107 ASN QD 60 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 108 LYS QB 235 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 109 VAL QG 40 no 92.0 100.0 0.215 0.215 0.000 11 0 no 0.000 0 0
1 110 ASP QB 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 111 MET QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 112 VAL QG 69 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 113 TRP QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 115 VAL QG 12 no 32.0 100.0 0.038 0.038 0.000 17 1 no 0.000 0 0
1 116 GLY QA 115 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 117 GLY QA 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 119 SER QB 178 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 120 VAL QG 3 no 100.0 100.0 1.008 1.008 0.000 23 0 no 0.000 0 0
1 121 TYR QB 130 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 121 TYR QD 159 no 96.0 94.5 0.091 0.096 0.005 4 2 no 0.000 0 0
1 121 TYR QE 247 no 100.0 100.0 0.022 0.022 0.000 1 1 no 0.000 0 0
1 123 GLU QB 129 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 123 GLU QG 187 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 125 MET QB 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 126 ASN QB 78 no 32.0 100.0 0.002 0.002 0.000 8 4 no 0.000 0 0
1 126 ASN QD 77 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 127 HIS QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 128 PRO QB 246 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 128 PRO QD 155 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 128 PRO QG 234 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 129 GLY QA 177 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 130 HIS QB 114 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 131 LEU QB 105 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 131 LEU QD 104 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 132 LYS QB 94 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 133 LEU QB 176 no 24.0 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 133 LEU QD 10 no 92.0 56.5 0.153 0.271 0.118 18 2 yes 1.073 1 4
1 134 PHE QB 113 no 8.0 100.0 0.007 0.007 0.000 5 0 no 0.000 0 0
1 134 PHE QD 233 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 135 VAL QG 85 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 137 ARG QB 175 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 138 ILE QG 84 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 139 MET QB 174 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 140 GLN QB 128 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 140 GLN QE 232 no 8.0 100.0 0.049 0.049 0.000 1 0 no 0.000 0 0
1 142 PHE QB 88 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 142 PHE QD 80 yes 88.0 49.4 1.968 3.982 2.014 8 6 no 0.000 0 0
1 142 PHE QE 92 yes 100.0 100.0 3.764 3.764 0.000 7 5 no 0.000 0 0
1 143 GLU QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 143 GLU QG 173 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 144 SER QB 43 no 56.0 100.0 0.065 0.065 0.000 11 1 no 0.007 0 0
1 145 ASP QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 PHE QB 103 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 147 PHE QD 164 no 60.0 100.0 0.531 0.531 0.000 4 3 no 0.007 0 0
1 148 PHE QB 83 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 148 PHE QD 231 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 149 PRO QD 230 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 150 GLU QB 90 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.000 0 0
1 150 GLU QG 163 no 100.0 0.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 151 ILE QG 229 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 152 ASP QB 68 no 4.0 100.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 153 LEU QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 153 LEU QD 54 no 80.0 100.0 1.793 1.793 0.000 9 0 no 0.000 0 0
1 154 GLU QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 154 GLU QG 228 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 156 TYR QB 154 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 156 TYR QD 214 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 157 LYS QB 227 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 158 LEU QB 172 no 88.0 100.0 0.002 0.002 0.000 3 0 no 0.000 0 0
1 158 LEU QD 16 no 100.0 100.0 0.361 0.361 0.000 15 1 no 0.000 0 0
1 159 LEU QB 171 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 159 LEU QD 67 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 160 PRO QD 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 162 TYR QB 189 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 162 TYR QD 134 no 72.0 40.0 0.460 1.150 0.689 5 3 yes 1.791 7 7
1 162 TYR QE 245 no 56.0 22.9 0.045 0.195 0.150 1 1 no 0.765 0 1
1 163 PRO QB 186 no 40.0 62.6 0.326 0.520 0.195 3 1 yes 1.542 2 3
1 163 PRO QD 158 no 64.0 100.0 0.030 0.030 0.000 4 2 no 0.000 0 0
1 164 GLY QA 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 165 VAL QG 6 no 100.0 100.0 0.044 0.044 0.000 19 0 no 0.000 0 0
1 166 LEU QB 59 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 166 LEU QD 50 no 100.0 100.0 0.162 0.162 0.000 10 4 no 0.000 0 0
1 168 ASP QB 244 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 169 VAL QG 32 no 100.0 100.0 0.353 0.353 0.000 12 0 no 0.000 0 0
1 170 GLN QB 37 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 170 GLN QE 21 no 32.0 100.0 0.708 0.708 0.000 14 2 no 0.000 0 0
1 170 GLN QG 219 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 172 GLU QB 153 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 173 LYS QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 174 GLY QA 170 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 175 ILE QG 226 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 176 LYS QG 225 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 177 TYR QB 42 no 100.0 0.0 0.000 0.000 0.000 11 1 no 0.000 0 0
1 177 TYR QD 73 no 100.0 100.0 0.019 0.019 0.000 8 1 no 0.330 0 0
1 178 LYS QB 93 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 178 LYS QG 224 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 179 PHE QB 87 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 179 PHE QD 157 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 180 GLU QB 82 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 181 VAL QG 41 no 100.0 0.0 0.000 0.000 0.000 11 1 no 0.000 0 0
1 182 TYR QB 101 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 182 TYR QD 218 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 182 TYR QE 223 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 183 GLU QB 112 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 184 LYS QB 111 no 100.0 100.0 0.000 0.000 0.000 5 0 no 0.061 0 0
1 185 ASN QB 107 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 185 ASN QD 76 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 186 ASP QB 222 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. Monday, May 20, 2024 2:51:08 AM GMT (wattos1)