NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610231 |
5k6p   |
30100 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_5k6p
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 204
_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 0.171
_Stereo_assign_list.Total_e_high_states 63.590
_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 4 SER QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 GLU QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.009 0 0
1 5 GLU QG 112 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.045 0 0
1 6 ASP QB 111 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.072 0 0
1 7 VAL QG 20 no 100.0 0.0 0.000 0.000 0.000 18 2 no 0.000 0 0
1 8 TRP QB 92 no 95.0 100.0 0.402 0.402 0.000 7 2 no 0.032 0 0
1 9 GLU QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.043 0 0
1 9 GLU QG 15 no 100.0 0.0 0.000 0.001 0.001 20 2 no 0.065 0 0
1 10 ILE QG 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 11 LEU QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 11 LEU QD 29 no 100.0 0.0 0.000 0.004 0.004 16 4 no 0.116 0 0
1 12 ARG QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.046 0 0
1 12 ARG QG 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 GLN QB 89 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 13 GLN QE 66 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.047 0 0
1 13 GLN QG 110 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 15 PRO QD 69 no 100.0 100.0 1.438 1.438 0.000 9 0 no 0.023 0 0
1 15 PRO QG 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 PRO QD 201 no 100.0 99.6 0.613 0.616 0.003 2 0 no 0.093 0 0
1 16 PRO QG 157 no 100.0 100.0 1.136 1.136 0.000 4 0 no 0.017 0 0
1 17 SER QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 GLU QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 GLU QG 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 19 TYR QB 65 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.055 0 0
1 20 GLU QB 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 GLU QG 109 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.027 0 0
1 21 ARG QB 60 no 100.0 99.8 0.611 0.612 0.001 10 0 no 0.074 0 0
1 21 ARG QD 88 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.043 0 0
1 21 ARG QG 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 ILE QG 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 PHE QB 40 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.043 0 0
1 25 GLN QB 52 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.045 0 0
1 25 GLN QE 64 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.032 0 0
1 25 GLN QG 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.017 0 0
1 26 TYR QB 84 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 27 GLY QA 122 no 95.0 100.0 0.165 0.165 0.000 5 0 no 0.000 0 0
1 28 VAL QG 11 no 100.0 100.0 8.618 8.620 0.002 24 4 no 0.116 0 0
1 30 ASP QB 108 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
1 31 LEU QB 120 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 31 LEU QD 7 no 0.0 0.0 0.000 0.001 0.001 28 12 no 0.084 0 0
1 32 ARG QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 ARG QD 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.034 0 0
1 32 ARG QG 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 33 GLY QA 91 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.055 0 0
1 34 MET QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 MET QG 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.020 0 0
1 35 LEU QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 LEU QD 59 no 100.0 0.0 0.000 0.002 0.002 10 0 no 0.088 0 0
1 36 LYS QB 119 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.055 0 0
1 36 LYS QD 118 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.039 0 0
1 36 LYS QE 193 no 0.0 0.0 0.000 0.001 0.001 2 0 no 0.064 0 0
1 36 LYS QG 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 ARG QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 37 ARG QD 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 LEU QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 LEU QD 51 no 100.0 0.0 0.000 0.006 0.006 12 4 no 0.216 0 0
1 39 LYS QB 117 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 39 LYS QD 191 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.097 0 0
1 39 LYS QE 107 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.107 0 0
1 39 LYS QG 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 40 GLY QA 87 no 0.0 0.0 0.000 0.003 0.003 8 4 no 0.135 0 0
1 41 MET QB 50 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.071 0 0
1 41 MET QG 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 42 ARG QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.053 0 0
1 42 ARG QD 145 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.179 0 0
1 42 ARG QG 106 no 0.0 0.0 0.000 0.000 0.000 6 0 no 0.056 0 0
1 43 ARG QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 ARG QD 79 no 0.0 0.0 0.000 0.001 0.001 8 0 no 0.105 0 0
1 43 ARG QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.023 0 0
1 44 ASP QB 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.062 0 0
1 45 GLU QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 45 GLU QG 104 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.253 0 0
1 46 LYS QB 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.059 0 0
1 46 LYS QE 144 no 0.0 0.0 0.000 0.003 0.003 4 0 no 0.183 0 0
1 47 LYS QB 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.069 0 0
1 47 LYS QD 142 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.098 0 0
1 47 LYS QE 141 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.098 0 0
1 47 LYS QG 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 48 SER QB 54 no 100.0 0.0 0.000 0.003 0.003 12 8 no 0.134 0 0
1 51 PHE QB 9 no 100.0 99.7 3.102 3.113 0.011 26 8 no 0.156 0 0
1 52 GLN QB 121 no 95.0 99.8 0.235 0.235 0.000 5 0 no 0.072 0 0
1 52 GLN QE 83 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.056 0 0
1 52 GLN QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 LYS QB 70 no 90.0 99.9 0.389 0.389 0.000 9 2 no 0.037 0 0
1 53 LYS QE 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.044 0 0
1 53 LYS QG 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.012 0 0
1 54 LYS QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 LYS QD 31 no 100.0 0.0 0.000 0.002 0.002 16 8 no 0.148 0 0
1 54 LYS QE 49 no 100.0 0.0 0.000 0.002 0.002 12 4 no 0.110 0 0
1 54 LYS QG 86 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.019 0 0
1 55 LEU QB 19 no 100.0 100.0 1.104 1.105 0.000 18 2 no 0.032 0 0
1 55 LEU QD 17 no 100.0 0.0 0.000 0.000 0.000 20 4 no 0.017 0 0
1 56 GLU QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 56 GLU QG 82 no 0.0 0.0 0.000 0.000 0.000 8 2 no 0.032 0 0
1 59 TYR QB 102 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 60 GLN QB 63 no 100.0 99.9 0.698 0.699 0.001 10 4 no 0.052 0 0
1 60 GLN QE 62 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.055 0 0
1 60 GLN QG 35 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.044 0 0
1 61 VAL QG 2 no 100.0 100.0 3.486 3.486 0.001 52 12 no 0.073 0 0
1 62 SER QB 115 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.011 0 0
1 63 LYS QB 58 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 63 LYS QE 45 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.061 0 0
1 63 LYS QG 28 no 100.0 0.0 0.000 0.003 0.003 16 4 no 0.113 0 0
1 64 GLY QA 164 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.042 0 0
1 65 HIS QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 LYS QB 81 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.064 0 0
1 66 LYS QD 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 LYS QE 78 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.085 0 0
1 66 LYS QG 77 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.088 0 0
1 67 ILE QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 ARG QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 ARG QD 34 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.050 0 0
1 69 LEU QB 24 no 100.0 100.0 2.284 2.284 0.000 17 1 no 0.017 0 0
1 69 LEU QD 6 no 100.0 0.0 0.000 0.009 0.009 34 6 no 0.157 0 0
1 71 VAL QG 1 no 100.0 100.0 9.408 9.409 0.001 53 9 no 0.054 0 0
1 72 GLU QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 72 GLU QG 76 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.092 0 0
1 73 LEU QB 101 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.022 0 0
1 73 LEU QD 27 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.000 0 0
1 75 ASP QB 57 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 76 HIS QB 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 77 ASP QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 79 GLU QB 99 no 0.0 0.0 0.000 0.016 0.016 6 0 no 0.221 0 0
1 79 GLU QG 75 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 80 VAL QG 12 no 0.0 0.0 0.000 0.005 0.005 24 10 no 0.123 0 0
1 81 LYS QE 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.033 0 0
1 81 LYS QG 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 TRP QB 39 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 83 LEU QB 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 83 LEU QD 13 no 95.0 0.0 0.000 0.002 0.002 22 6 no 0.094 0 0
1 84 LYS QB 135 no 100.0 0.0 0.000 0.009 0.009 4 0 no 0.154 0 0
1 84 LYS QD 38 no 100.0 0.0 0.000 0.004 0.004 14 4 no 0.141 0 0
1 84 LYS QE 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.057 0 0
1 84 LYS QG 37 no 100.0 0.0 0.000 0.001 0.001 14 4 no 0.080 0 0
1 85 ASN QB 55 no 100.0 100.0 2.805 2.805 0.000 11 2 no 0.058 0 0
1 85 ASN QD 23 no 0.0 0.0 0.000 0.005 0.005 18 8 no 0.141 0 0
1 86 GLY QA 116 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.094 0 0
1 87 GLN QB 36 no 100.0 99.9 2.397 2.398 0.001 14 4 no 0.098 0 0
1 87 GLN QE 90 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.030 0 0
1 87 GLN QG 33 no 100.0 99.3 0.555 0.559 0.004 14 0 no 0.108 0 0
1 88 GLU QB 85 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.030 0 0
1 88 GLU QG 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 ILE QG 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 GLN QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 90 GLN QE 173 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.084 0 0
1 90 GLN QG 98 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.070 0 0
1 91 MET QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 MET QG 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 94 SER QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 LYS QB 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 LYS QD 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 95 LYS QE 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.077 0 0
1 95 LYS QG 74 no 100.0 0.0 0.000 0.004 0.004 8 0 no 0.112 0 0
1 96 TYR QB 18 no 100.0 99.9 1.204 1.205 0.001 18 0 no 0.073 0 0
1 97 ILE QG 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 98 PHE QB 73 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.038 0 0
1 99 GLU QB 26 no 100.0 100.0 0.930 0.930 0.000 16 0 no 0.000 0 0
1 99 GLU QG 14 no 100.0 0.0 0.000 0.000 0.000 20 0 no 0.034 0 0
1 100 SER QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 ILE QG 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.025 0 0
1 102 GLY QA 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 LYS QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 104 LYS QE 48 no 100.0 0.0 0.000 0.003 0.003 12 0 no 0.102 0 0
1 104 LYS QG 72 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.016 0 0
1 105 ARG QB 8 no 100.0 100.0 1.342 1.342 0.000 27 6 no 0.047 0 0
1 105 ARG QD 43 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.062 0 0
1 105 ARG QG 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 107 LEU QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 107 LEU QD 16 no 100.0 0.0 0.000 0.000 0.000 20 4 no 0.009 0 0
1 109 ILE QG 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 110 SER QB 22 no 100.0 0.0 0.000 0.002 0.002 18 8 no 0.085 0 0
1 111 GLN QB 46 no 100.0 0.0 0.000 0.000 0.000 14 12 no 0.042 0 0
1 111 GLN QE 53 no 100.0 0.0 0.000 0.002 0.002 12 8 no 0.085 0 0
1 111 GLN QG 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 112 CYS QB 44 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 113 SER QB 114 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 114 LEU QB 42 no 100.0 99.7 0.776 0.779 0.002 14 6 no 0.079 0 0
1 114 LEU QD 21 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.027 0 0
1 116 ASP QB 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 117 ASP QB 61 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 120 TYR QB 94 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 121 GLN QB 80 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 121 GLN QE 4 no 100.0 98.7 0.206 0.209 0.003 41 10 no 0.105 0 0
1 121 GLN QG 47 no 100.0 99.6 0.404 0.406 0.002 13 3 no 0.084 0 0
1 122 CYS QB 113 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 123 VAL QG 3 no 100.0 100.0 19.112 19.112 0.001 46 11 no 0.052 0 0
1 124 VAL QG 10 no 0.0 0.0 0.000 0.001 0.001 24 0 no 0.051 0 0
1 127 GLU QB 56 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.066 0 0
1 127 GLU QG 32 no 100.0 0.0 0.000 0.011 0.011 14 0 no 0.186 0 0
1 128 LYS QB 67 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.007 0 0
1 128 LYS QD 93 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.057 0 0
1 128 LYS QE 41 no 100.0 0.0 0.000 0.001 0.001 14 6 no 0.069 0 0
1 128 LYS QG 163 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 129 CYS QB 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 130 SER QB 30 no 100.0 0.0 0.000 0.001 0.001 16 6 no 0.105 0 0
1 132 GLU QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 133 LEU QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 133 LEU QD 25 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.005 0 0
1 134 PHE QB 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.032 0 0
1 135 VAL QG 5 no 100.0 0.0 0.000 0.000 0.000 40 12 no 0.079 0 0
1 136 LYS QB 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 136 LYS QE 123 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.121 0 0
1 136 LYS QG 71 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 137 GLU QG 68 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.030 0 0
stop_
save_
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