NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595251 |
2mv2   |
25240 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mv2
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 249
_Stereo_assign_list.Swap_count 5
_Stereo_assign_list.Swap_percentage 2.0
_Stereo_assign_list.Deassign_count 4
_Stereo_assign_list.Deassign_percentage 1.6
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 12.075
_Stereo_assign_list.Total_e_high_states 74.072
_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 120 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.087 0 0
1 1 MET QG 245 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 3 SER QB 244 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 VAL QG 1 no 10.0 98.3 0.010 0.010 0.000 32 6 no 0.028 0 0
1 7 VAL QG 4 no 100.0 0.0 0.000 0.000 0.000 20 12 no 0.041 0 0
1 8 SER QB 15 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 9 ASP QB 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 10 VAL QG 26 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.017 0 0
1 11 CYS QB 6 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.000 0 0
1 12 LYS QB 43 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 12 LYS QD 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 12 LYS QE 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 12 LYS QG 243 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 TYR QB 114 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 15 TYR QD 249 yes 100.0 99.9 9.236 9.242 0.006 1 0 no 0.120 0 0
1 15 TYR QE 193 yes 100.0 100.0 4.861 4.861 0.000 3 0 no 0.011 0 0
1 16 GLU QB 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 16 GLU QG 70 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.029 0 0
1 17 GLU QB 53 no 100.0 100.0 1.531 1.532 0.001 9 0 no 0.065 0 0
1 17 GLU QG 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 18 ILE QG 38 no 100.0 100.0 1.496 1.496 0.000 11 7 no 0.033 0 0
1 19 LYS QB 242 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 19 LYS QD 112 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 19 LYS QE 241 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.088 0 0
1 19 LYS QG 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 LYS QB 111 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 20 LYS QD 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 LYS QG 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 ASP QB 69 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 22 LYS QB 240 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 LYS QD 239 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 LYS QE 119 no 100.0 0.0 0.000 0.010 0.010 6 4 no 0.144 0 0
1 22 LYS QG 29 no 100.0 0.0 0.000 0.001 0.001 13 7 no 0.065 0 0
1 23 LYS QB 238 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 LYS QD 50 no 100.0 0.0 0.000 0.004 0.004 10 8 no 0.098 0 0
1 23 LYS QE 237 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 LYS QG 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 24 HIS QB 37 no 100.0 72.6 0.000 0.000 0.000 12 8 no 0.033 0 0
1 25 ARG QB 123 no 40.0 98.1 0.087 0.089 0.002 5 0 no 0.126 0 0
1 25 ARG QD 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 25 ARG QG 68 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.014 0 0
1 26 TYR QB 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.031 0 0
1 26 TYR QD 192 no 10.0 100.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 27 VAL QG 14 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.016 0 0
1 28 ILE QG 67 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.027 0 0
1 29 PHE QB 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 29 PHE QD 110 no 80.0 83.2 3.453 4.150 0.698 6 0 yes 1.898 2 2
1 29 PHE QE 174 no 80.0 75.9 1.982 2.610 0.629 4 0 yes 1.859 2 2
1 30 TYR QB 191 no 50.0 99.0 0.110 0.111 0.001 3 0 no 0.104 0 0
1 30 TYR QD 236 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 ILE QG 28 no 40.0 66.9 0.042 0.063 0.021 13 4 no 0.218 0 0
1 32 ARG QB 235 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 ARG QD 109 no 100.0 0.0 0.000 0.007 0.007 6 0 no 0.096 0 0
1 32 ARG QG 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 33 ASP QB 36 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 34 GLU QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 34 GLU QG 108 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.066 0 0
1 35 LYS QD 118 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 35 LYS QE 107 no 0.0 0.0 0.000 0.001 0.001 6 0 no 0.065 0 0
1 35 LYS QG 76 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 36 GLN QB 71 no 100.0 0.0 0.000 0.002 0.002 8 2 no 0.108 0 0
1 36 GLN QG 106 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.115 0 0
1 37 ILE QG 42 no 100.0 0.0 0.000 0.010 0.010 10 0 no 0.134 0 0
1 38 ASP QB 52 no 100.0 97.6 0.719 0.737 0.017 9 0 no 0.215 0 0
1 39 VAL QG 27 no 100.0 100.0 1.706 1.706 0.000 13 4 no 0.059 0 0
1 40 GLU QB 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.018 0 0
1 40 GLU QG 23 no 100.0 0.0 0.000 0.027 0.027 14 4 no 0.159 0 0
1 42 VAL QG 13 no 100.0 0.0 0.000 0.002 0.002 16 4 no 0.118 0 0
1 44 ASP QB 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 45 ARG QB 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 45 ARG QD 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 45 ARG QG 234 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 ASN QB 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 48 GLU QB 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 48 GLU QG 66 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 49 TYR QB 65 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 49 TYR QD 233 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 TYR QE 232 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 50 ASP QB 102 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 51 GLN QB 231 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 51 GLN QG 49 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 52 PHE QB 48 no 0.0 0.0 0.000 0.001 0.001 10 4 no 0.080 0 0
1 52 PHE QD 230 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 LEU QB 101 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 53 LEU QD 11 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.000 0 0
1 54 GLU QB 47 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 54 GLU QG 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 55 ASP QB 188 no 0.0 0.0 0.000 0.001 0.001 4 4 no 0.080 0 0
1 56 ILE QG 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 57 GLN QB 99 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
1 57 GLN QG 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 58 LYS QB 98 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 58 LYS QD 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 58 LYS QE 229 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.128 0 0
1 58 LYS QG 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 59 CYS QB 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.038 0 0
1 61 PRO QG 228 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 GLU QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 63 GLU QG 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 64 CYS QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 65 ARG QB 161 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.108 0 0
1 65 ARG QD 227 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 ARG QG 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 TYR QB 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 66 TYR QD 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 TYR QE 248 no 10.0 100.0 0.005 0.005 0.000 1 0 no 0.000 0 0
1 67 GLY QA 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 68 LEU QB 25 no 100.0 0.0 0.000 0.011 0.011 14 8 no 0.166 0 0
1 68 LEU QD 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 69 PHE QB 77 no 40.0 43.0 0.008 0.018 0.011 7 2 no 0.145 0 0
1 69 PHE QD 190 yes 100.0 100.0 11.971 11.971 0.000 3 0 no 0.011 0 0
1 69 PHE QE 247 yes 100.0 100.0 10.189 10.189 0.000 1 0 no 0.029 0 0
1 70 ASP QB 24 no 0.0 0.0 0.000 0.003 0.003 14 8 no 0.163 0 0
1 71 PHE QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 PHE QD 189 no 100.0 100.0 0.005 0.005 0.000 3 0 no 0.223 0 0
1 71 PHE QE 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 GLU QB 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 GLU QG 223 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 TYR QB 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 TYR QD 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 TYR QE 221 yes 100.0 100.0 3.746 3.747 0.001 2 0 no 0.077 0 0
1 74 MET QB 9 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.000 0 0
1 74 MET QG 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 75 HIS QB 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 76 GLN QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 77 CYS QB 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 78 GLN QB 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 78 GLN QG 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 79 GLY QA 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 SER QB 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 GLU QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 GLU QG 94 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 83 SER QB 22 no 100.0 0.0 0.000 0.003 0.003 14 4 no 0.080 0 0
1 84 SER QB 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 85 LYS QB 75 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 85 LYS QD 93 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.041 0 0
1 85 LYS QE 218 no 100.0 0.0 0.000 0.007 0.007 2 0 no 0.136 0 0
1 85 LYS QG 41 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.052 0 0
1 86 LYS QB 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 LYS QD 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 LYS QE 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 LYS QG 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 GLN QB 122 no 10.0 100.0 0.001 0.001 0.000 5 0 no 0.000 0 0
1 87 GLN QG 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 88 LYS QB 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 LYS QG 64 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.149 0 0
1 89 LEU QB 2 no 100.0 99.2 2.581 2.603 0.022 22 10 no 0.177 0 0
1 89 LEU QD 5 no 100.0 99.9 0.813 0.815 0.001 19 11 no 0.066 0 0
1 90 PHE QB 74 no 0.0 0.0 0.000 0.008 0.008 8 4 no 0.161 0 0
1 90 PHE QD 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 PHE QE 246 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.053 0 0
1 91 LEU QB 63 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 91 LEU QD 12 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.041 0 0
1 92 MET QB 32 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.023 0 0
1 92 MET QG 31 no 0.0 0.0 0.000 0.001 0.001 12 0 no 0.042 0 0
1 93 SER QB 8 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.050 0 0
1 94 TRP QB 62 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.075 0 0
1 95 CYS QB 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 PRO QB 18 no 100.0 0.0 0.000 0.004 0.004 14 0 no 0.108 0 0
1 96 PRO QG 92 no 100.0 0.0 0.000 0.007 0.007 6 0 no 0.148 0 0
1 97 ASP QB 61 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.009 0 0
1 100 LYS QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 100 LYS QD 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 LYS QE 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 100 LYS QG 91 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 101 VAL QG 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 102 LYS QB 73 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.026 0 0
1 102 LYS QD 208 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.187 0 0
1 102 LYS QE 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 102 LYS QG 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 103 LYS QB 35 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 103 LYS QD 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 LYS QE 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 103 LYS QG 90 no 60.0 100.0 0.166 0.166 0.000 6 0 no 0.000 0 0
1 104 LYS QD 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 104 LYS QE 205 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.082 0 0
1 104 LYS QG 60 no 100.0 0.0 0.000 0.006 0.006 8 0 no 0.191 0 0
1 105 MET QB 16 no 100.0 99.9 0.815 0.817 0.001 16 8 no 0.087 0 0
1 105 MET QG 89 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 106 LEU QB 51 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 106 LEU QD 7 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.000 0 0
1 107 TYR QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 107 TYR QD 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 SER QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 109 SER QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 110 SER QB 34 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 111 PHE QB 88 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 111 PHE QD 140 no 60.0 29.2 2.693 9.222 6.529 4 0 yes 3.960 11 12
1 111 PHE QE 202 no 60.0 31.3 1.772 5.670 3.898 2 0 yes 3.629 6 7
1 112 ASP QB 87 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 114 LEU QB 117 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 114 LEU QD 187 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.041 0 0
1 115 LYS QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 LYS QD 86 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 115 LYS QE 116 no 20.0 100.0 0.021 0.021 0.000 6 4 no 0.000 0 0
1 115 LYS QG 85 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.069 0 0
1 116 LYS QB 59 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 116 LYS QD 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 116 LYS QE 84 no 90.0 0.0 0.000 0.001 0.001 6 0 no 0.064 0 0
1 116 LYS QG 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 117 SER QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 LEU QB 46 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 118 LEU QD 83 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 119 VAL QG 115 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 120 GLY QA 186 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 121 VAL QG 10 no 50.0 98.4 0.503 0.511 0.008 17 8 no 0.161 0 0
1 122 GLN QB 124 no 100.0 100.0 0.813 0.813 0.000 5 3 no 0.025 0 0
1 122 GLN QG 45 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.066 0 0
1 123 LYS QB 58 no 80.0 100.0 0.033 0.033 0.000 8 0 no 0.000 0 0
1 123 LYS QD 21 no 100.0 0.0 0.000 0.009 0.009 14 4 no 0.149 0 0
1 123 LYS QE 136 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.110 0 0
1 123 LYS QG 57 no 30.0 100.0 0.007 0.007 0.000 8 0 no 0.000 0 0
1 124 TYR QB 44 no 20.0 100.0 0.021 0.021 0.000 10 4 no 0.000 0 0
1 124 TYR QD 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 124 TYR QE 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 125 ILE QG 33 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 126 GLN QB 20 no 100.0 0.0 0.000 0.036 0.036 14 4 no 0.270 0 0
1 126 GLN QG 3 no 100.0 0.0 0.000 0.007 0.007 20 4 no 0.205 0 0
1 129 ASP QB 82 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 130 LEU QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 130 LEU QD 40 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.042 0 0
1 131 SER QB 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 132 GLU QB 17 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.000 0 0
1 132 GLU QG 39 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 135 ARG QB 81 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.162 0 0
1 135 ARG QD 56 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.064 0 0
1 135 ARG QG 121 no 90.0 98.9 0.599 0.605 0.007 5 0 no 0.149 0 0
1 136 GLU QB 80 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 136 GLU QG 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 138 VAL QG 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.062 0 0
1 139 GLU QB 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 139 GLU QG 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 140 GLU QB 30 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.054 0 0
1 140 GLU QG 55 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.026 0 0
1 141 LYS QB 19 no 100.0 0.0 0.000 0.018 0.018 14 4 no 0.197 0 0
1 141 LYS QD 72 no 100.0 0.0 0.000 0.005 0.005 8 4 no 0.149 0 0
1 141 LYS QE 130 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.092 0 0
1 141 LYS QG 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 142 LEU QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 142 LEU QD 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 143 ARG QB 79 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 143 ARG QD 78 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 143 ARG QG 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 146 ASP QB 54 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.083 0 0
1 147 ARG QB 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 147 ARG QD 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 ARG QG 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 148 GLN QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 148 GLN QG 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 1:02:45 PM GMT (wattos1)