NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441531 |
2kax   |
16033 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kax
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 210
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 4
_Stereo_assign_list.Deassign_percentage 1.9
_Stereo_assign_list.Model_count 31
_Stereo_assign_list.Total_e_low_states 1.445
_Stereo_assign_list.Total_e_high_states 1.445
_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 2 GLU QB 210 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.145 0 0
1 4 PRO QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 4 PRO QD 138 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.120 0 0
1 5 LEU QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 LEU QD 68 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.015 0 0
1 6 GLU QB 137 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.149 0 0
1 6 GLU QG 70 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.125 0 0
1 7 LYS QB 136 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.092 0 0
1 9 LEU QD 67 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 12 MET QB 66 no 100.0 0.0 0.000 0.192 0.192 6 0 yes 1.510 2 5
1 12 MET QG 135 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.115 0 0
1 13 VAL QG 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 16 PHE QB 207 no 100.0 0.0 0.000 0.128 0.128 2 0 yes 1.181 1 5
1 17 HIS QB 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.028 0 0
1 18 LYS QB 65 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.093 0 0
1 18 LYS QG 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 19 TYR QB 142 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 22 ARG QB 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.029 0 0
1 22 ARG QG 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.047 0 0
1 23 GLU QB 205 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.111 0 0
1 25 SER QB 130 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.081 0 0
1 26 LYS QB 204 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.142 0 0
1 27 LEU QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 LEU QD 26 no 0.0 0.0 0.000 0.001 0.001 10 0 no 0.124 0 0
1 29 LEU QB 64 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.157 0 0
1 29 LEU QD 2 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.033 0 0
1 30 SER QB 129 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.131 0 0
1 31 ARG QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 ARG QD 25 no 100.0 0.0 0.000 0.028 0.028 10 0 no 0.403 0 0
1 31 ARG QG 201 no 0.0 0.0 0.000 0.004 0.004 2 0 no 0.225 0 0
1 32 LYS QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 GLU QB 199 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.148 0 0
1 34 LEU QD 4 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.027 0 0
1 35 LYS QB 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.047 0 0
1 35 LYS QG 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.041 0 0
1 36 GLU QB 63 no 0.0 0.0 0.000 0.006 0.006 6 0 no 0.196 0 0
1 36 GLU QG 24 no 100.0 0.0 0.000 0.010 0.010 10 0 no 0.300 0 0
1 37 LEU QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 LEU QD 62 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.018 0 0
1 38 ILE QG 61 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.038 0 0
1 39 LYS QB 126 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.182 0 0
1 39 LYS QG 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.062 0 0
1 40 LYS QB 60 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.020 0 0
1 40 LYS QG 34 no 0.0 0.0 0.000 0.002 0.002 8 0 no 0.132 0 0
1 41 GLU QG 59 no 0.0 0.0 0.000 0.001 0.001 6 0 no 0.086 0 0
1 42 LEU QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 LEU QD 28 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.054 0 0
1 43 CYS QB 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.032 0 0
1 44 LEU QB 196 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.122 0 0
1 44 LEU QD 23 no 100.0 0.0 0.000 0.010 0.010 10 0 no 0.325 0 0
1 46 GLU QG 195 no 100.0 0.0 0.000 0.007 0.007 2 0 no 0.252 0 0
1 47 MET QG 123 no 100.0 0.0 0.000 0.010 0.010 4 0 no 0.336 0 0
1 48 LYS QB 22 no 0.0 0.0 0.000 0.019 0.019 10 0 no 0.322 0 0
1 48 LYS QG 122 no 100.0 0.0 0.000 0.050 0.050 4 0 no 0.563 0 2
1 49 GLU QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
1 49 GLU QG 121 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.246 0 0
1 50 SER QB 120 no 0.0 0.0 0.000 0.004 0.004 4 0 no 0.260 0 0
1 52 ILE QG 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 ASP QB 58 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.171 0 0
1 54 ASP QB 57 no 0.0 0.0 0.000 0.004 0.004 6 0 no 0.118 0 0
1 55 LEU QB 119 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.087 0 0
1 55 LEU QD 8 no 0.0 0.0 0.000 0.000 0.000 12 4 no 0.042 0 0
1 56 MET QB 33 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.162 0 0
1 56 MET QG 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 57 LYS QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 SER QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 LEU QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 LEU QD 6 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.034 0 0
1 60 ASP QB 56 no 100.0 0.0 0.000 0.038 0.038 6 0 no 0.418 0 0
1 61 LYS QB 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.055 0 0
1 61 LYS QG 117 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.228 0 0
1 62 ASN QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 ASN QD 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 ASP QB 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.031 0 0
1 65 GLN QB 186 no 100.0 0.0 0.000 0.016 0.016 2 0 no 0.446 0 0
1 65 GLN QE 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 GLN QG 115 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.127 0 0
1 66 GLU QB 114 no 100.0 0.0 0.000 0.013 0.013 4 0 no 0.222 0 0
1 66 GLU QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 67 ILE QG 113 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.046 0 0
1 68 ASP QB 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 69 PHE QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 LYS QG 32 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 71 GLU QB 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 GLU QG 21 no 100.0 0.0 0.000 0.037 0.037 10 0 no 0.300 0 0
1 72 TYR QB 110 no 100.0 0.0 0.000 0.015 0.015 4 0 no 0.316 0 0
1 73 SER QB 55 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 74 VAL QG 54 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 75 PHE QB 109 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 76 LEU QB 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 76 LEU QD 20 no 0.0 0.0 0.000 0.000 0.000 10 0 no 0.045 0 0
1 78 MET QB 141 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.042 0 0
1 78 MET QG 107 no 100.0 0.0 0.000 0.008 0.008 4 0 no 0.276 0 0
1 79 LEU QD 19 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.043 0 0
1 80 CYS QB 53 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.052 0 0
1 81 MET QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 83 TYR QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 84 ASN QB 106 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.038 0 0
1 87 PHE QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 LEU QB 52 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.164 0 0
1 88 LEU QD 18 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 89 GLU QB 105 no 0.0 0.0 0.000 0.012 0.012 4 0 no 0.280 0 0
1 90 ASP QB 179 no 100.0 0.0 0.000 0.012 0.012 2 0 no 0.283 0 0
1 91 ASN QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 LYS QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 2 GLU QB 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.070 0 0
2 4 PRO QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.031 0 0
2 4 PRO QD 104 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
2 5 LEU QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 5 LEU QD 51 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 6 GLU QB 103 no 0.0 0.0 0.000 0.001 0.001 4 0 no 0.103 0 0
2 6 GLU QG 69 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.124 0 0
2 7 LYS QB 102 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.183 0 0
2 9 LEU QD 50 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 12 MET QB 49 no 0.0 0.0 0.000 0.244 0.244 6 0 yes 1.620 3 5
2 12 MET QG 101 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.115 0 0
2 13 VAL QG 100 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.032 0 0
2 16 PHE QB 173 no 100.0 0.0 0.000 0.146 0.146 2 0 yes 1.565 1 5
2 17 HIS QB 99 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.061 0 0
2 18 LYS QB 48 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.066 0 0
2 18 LYS QG 98 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 19 TYR QB 140 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.028 0 0
2 22 ARG QB 97 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.061 0 0
2 22 ARG QG 172 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.152 0 0
2 23 GLU QB 171 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.130 0 0
2 25 SER QB 96 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.137 0 0
2 26 LYS QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.042 0 0
2 27 LEU QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 27 LEU QD 17 no 100.0 0.0 0.000 0.002 0.002 10 0 no 0.131 0 0
2 29 LEU QB 47 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.120 0 0
2 29 LEU QD 1 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.056 0 0
2 30 SER QB 95 no 0.0 0.0 0.000 0.006 0.006 4 0 no 0.195 0 0
2 31 ARG QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.060 0 0
2 31 ARG QD 16 no 3.2 0.0 0.000 0.028 0.028 10 0 no 0.425 0 0
2 31 ARG QG 167 no 100.0 0.0 0.000 0.009 0.009 2 0 no 0.310 0 0
2 32 LYS QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.068 0 0
2 33 GLU QB 165 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.149 0 0
2 34 LEU QD 3 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.000 0 0
2 35 LYS QB 94 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.059 0 0
2 35 LYS QG 93 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.060 0 0
2 36 GLU QB 46 no 0.0 0.0 0.000 0.007 0.007 6 0 no 0.245 0 0
2 36 GLU QG 15 no 0.0 0.0 0.000 0.005 0.005 10 0 no 0.253 0 0
2 37 LEU QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 37 LEU QD 45 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.045 0 0
2 38 ILE QG 44 no 0.0 0.0 0.000 0.000 0.000 6 0 no 0.038 0 0
2 39 LYS QB 92 no 100.0 0.0 0.000 0.008 0.008 4 0 no 0.190 0 0
2 39 LYS QG 91 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.040 0 0
2 40 LYS QB 43 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.047 0 0
2 40 LYS QG 31 no 6.5 0.0 0.000 0.004 0.004 8 0 no 0.140 0 0
2 41 GLU QG 42 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.122 0 0
2 42 LEU QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 42 LEU QD 27 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.041 0 0
2 43 CYS QB 90 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.121 0 0
2 44 LEU QB 162 no 0.0 0.0 0.000 0.003 0.003 2 0 no 0.246 0 0
2 44 LEU QD 14 no 0.0 0.0 0.000 0.009 0.009 10 0 no 0.292 0 0
2 46 GLU QG 161 no 100.0 0.0 0.000 0.007 0.007 2 0 no 0.276 0 0
2 47 MET QG 89 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.080 0 0
2 48 LYS QB 13 no 100.0 0.0 0.000 0.009 0.009 10 0 no 0.233 0 0
2 48 LYS QG 88 no 0.0 0.0 0.000 0.081 0.081 4 0 no 0.687 0 2
2 49 GLU QB 160 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.130 0 0
2 49 GLU QG 87 no 100.0 0.0 0.000 0.008 0.008 4 0 no 0.277 0 0
2 50 SER QB 86 no 100.0 0.0 0.000 0.010 0.010 4 0 no 0.253 0 0
2 52 ILE QG 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.057 0 0
2 53 ASP QB 41 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.227 0 0
2 54 ASP QB 40 no 0.0 0.0 0.000 0.006 0.006 6 0 no 0.139 0 0
2 55 LEU QB 85 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 55 LEU QD 7 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.006 0 0
2 56 MET QB 30 no 96.8 0.0 0.000 0.003 0.003 8 0 no 0.175 0 0
2 56 MET QG 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.039 0 0
2 57 LYS QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
2 58 SER QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 59 LEU QB 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 59 LEU QD 5 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.052 0 0
2 60 ASP QB 39 no 100.0 0.0 0.000 0.028 0.028 6 0 no 0.346 0 0
2 61 LYS QB 84 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.051 0 0
2 61 LYS QG 83 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.179 0 0
2 62 ASN QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 62 ASN QD 153 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.173 0 0
2 64 ASP QB 82 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.086 0 0
2 65 GLN QB 152 no 100.0 0.0 0.000 0.022 0.022 2 0 no 0.383 0 0
2 65 GLN QE 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 65 GLN QG 81 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
2 66 GLU QB 80 no 100.0 0.0 0.000 0.012 0.012 4 0 no 0.231 0 0
2 66 GLU QG 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 67 ILE QG 79 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.118 0 0
2 68 ASP QB 78 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 69 PHE QB 149 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 70 LYS QG 29 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.027 0 0
2 71 GLU QB 77 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 71 GLU QG 12 no 0.0 0.0 0.000 0.034 0.034 10 0 no 0.311 0 0
2 72 TYR QB 76 no 100.0 0.0 0.000 0.015 0.015 4 0 no 0.265 0 0
2 73 SER QB 38 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 74 VAL QG 37 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 75 PHE QB 75 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 76 LEU QB 74 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
2 76 LEU QD 11 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.072 0 0
2 78 MET QB 139 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.006 0 0
2 78 MET QG 73 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.129 0 0
2 79 LEU QD 10 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.022 0 0
2 80 CYS QB 36 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.051 0 0
2 81 MET QB 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 83 TYR QB 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 84 ASN QB 72 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.086 0 0
2 87 PHE QB 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 88 LEU QB 35 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.139 0 0
2 88 LEU QD 9 no 96.8 0.0 0.000 0.009 0.009 10 0 no 0.232 0 0
2 89 GLU QB 71 no 0.0 0.0 0.000 0.010 0.010 4 0 no 0.343 0 0
2 90 ASP QB 145 no 100.0 0.0 0.000 0.011 0.011 2 0 no 0.354 0 0
2 91 ASN QB 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 92 LYS QB 143 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
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