NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
466688 |
2kq3   |
16585 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kq3
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 212
_Stereo_assign_list.Swap_count 11
_Stereo_assign_list.Swap_percentage 5.2
_Stereo_assign_list.Deassign_count 11
_Stereo_assign_list.Deassign_percentage 5.2
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 78.651
_Stereo_assign_list.Total_e_high_states 744.089
_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 3 SER QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 5 LYS QB 205 no 5.0 99.5 0.007 0.007 0.000 1 0 no 0.022 0 0
1 5 LYS QG 204 no 20.0 100.0 0.021 0.021 0.000 1 0 no 0.000 0 0
1 6 LYS QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.055 0 0
1 6 LYS QE 203 no 100.0 100.0 1.549 1.549 0.000 1 0 no 0.009 0 0
1 6 LYS QG 202 no 10.0 100.0 0.004 0.004 0.000 1 0 no 0.000 0 0
1 7 LEU QB 164 no 70.0 100.0 0.343 0.343 0.000 3 0 no 0.004 0 0
1 7 LEU QD 144 no 95.0 100.0 0.511 0.511 0.000 4 0 no 0.000 0 0
1 8 HIS QB 106 no 65.0 99.8 0.173 0.174 0.000 6 0 no 0.089 0 0
1 9 LYS QB 80 no 50.0 99.2 0.006 0.006 0.000 8 3 no 0.023 0 0
1 9 LYS QD 120 no 80.0 100.0 0.672 0.672 0.000 6 3 no 0.049 0 0
1 9 LYS QE 188 no 55.0 99.9 0.059 0.059 0.000 2 1 no 0.035 0 0
1 9 LYS QG 72 no 100.0 0.0 0.000 0.000 0.000 9 3 no 0.027 0 0
1 10 GLU QB 116 no 70.0 100.0 0.159 0.159 0.000 6 2 no 0.006 0 0
1 10 GLU QG 133 no 55.0 100.0 0.047 0.047 0.000 5 2 no 0.000 0 0
1 11 PRO QB 89 no 100.0 100.0 0.000 0.000 0.000 7 0 no 0.008 0 0
1 14 LEU QB 40 no 100.0 100.0 3.062 3.064 0.001 13 8 no 0.045 0 0
1 14 LEU QD 2 no 100.0 100.0 10.145 10.148 0.003 30 10 no 0.199 0 0
1 15 ILE QG 163 no 100.0 100.0 0.325 0.325 0.000 3 0 no 0.014 0 0
1 16 LYS QB 88 no 100.0 100.0 1.554 1.554 0.000 7 0 no 0.008 0 0
1 16 LYS QD 201 no 40.0 100.0 0.087 0.087 0.000 1 0 no 0.000 0 0
1 16 LYS QG 200 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 18 ILE QG 49 no 100.0 98.5 0.296 0.301 0.004 11 0 no 0.064 0 0
1 19 ASP QB 67 no 100.0 100.0 0.574 0.575 0.000 9 0 no 0.033 0 0
1 20 GLY QA 43 no 60.0 100.0 0.094 0.094 0.000 12 1 no 0.007 0 0
1 21 ASP QB 44 no 100.0 0.0 0.000 0.000 0.000 12 3 no 0.000 0 0
1 23 VAL QG 15 no 100.0 100.0 3.908 3.908 0.000 17 2 no 0.016 0 0
1 24 LYS QB 13 no 100.0 100.0 2.833 2.833 0.000 18 4 no 0.020 0 0
1 24 LYS QD 151 no 30.0 100.0 0.505 0.506 0.000 4 1 no 0.025 0 0
1 24 LYS QE 169 no 20.0 100.0 0.128 0.128 0.000 3 1 no 0.008 0 0
1 24 LYS QG 154 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 25 LEU QB 41 no 95.0 72.8 0.000 0.000 0.000 13 9 no 0.039 0 0
1 25 LEU QD 10 no 95.0 89.8 0.873 0.973 0.100 20 8 no 0.877 0 3
1 26 MET QB 71 no 15.0 100.0 0.000 0.000 0.000 9 2 no 0.000 0 0
1 26 MET QG 36 no 100.0 100.0 0.931 0.931 0.000 13 5 no 0.003 0 0
1 27 TYR QB 70 no 100.0 100.0 0.000 0.000 0.000 9 2 no 0.032 0 0
1 27 TYR QD 26 no 100.0 100.0 22.850 22.851 0.000 15 9 no 0.032 0 0
1 27 TYR QE 140 no 100.0 100.0 29.160 29.160 0.000 5 4 no 0.000 0 0
1 28 LYS QB 56 no 100.0 99.8 1.939 1.943 0.005 11 4 no 0.068 0 0
1 28 LYS QD 121 no 100.0 100.0 0.463 0.463 0.000 6 6 no 0.001 0 0
1 28 LYS QG 30 no 100.0 100.0 1.181 1.181 0.000 14 7 no 0.004 0 0
1 29 GLY QA 83 no 100.0 100.0 0.000 0.000 0.000 8 4 no 0.015 0 0
1 30 GLN QB 95 no 100.0 100.0 2.553 2.554 0.000 7 2 no 0.047 0 0
1 30 GLN QG 199 no 80.0 100.0 0.238 0.238 0.000 1 0 no 0.013 0 0
1 31 PRO QB 105 no 100.0 99.8 2.905 2.911 0.006 6 0 no 0.096 0 0
1 32 MET QB 39 no 100.0 100.0 1.049 1.049 0.000 13 7 no 0.049 0 0
1 32 MET QG 98 no 90.0 99.5 0.049 0.050 0.000 7 3 no 0.049 0 0
1 34 PHE QB 27 no 100.0 100.0 1.735 1.735 0.000 14 4 no 0.026 0 0
1 34 PHE QD 8 no 100.0 90.1 73.611 81.730 8.120 21 8 no 0.098 0 0
1 34 PHE QE 78 no 100.0 100.0 35.822 35.822 0.000 9 7 no 0.012 0 0
1 35 ARG QB 100 no 100.0 100.0 2.690 2.691 0.001 7 4 no 0.047 0 0
1 35 ARG QD 85 no 100.0 100.0 1.214 1.214 0.000 8 5 no 0.022 0 0
1 35 ARG QG 97 no 85.0 99.7 0.082 0.083 0.000 7 3 no 0.034 0 0
1 36 LEU QB 34 no 100.0 99.9 6.182 6.189 0.006 14 9 no 0.096 0 0
1 36 LEU QD 5 no 100.0 100.0 3.890 3.890 0.000 25 10 no 0.028 0 0
1 37 LEU QB 42 no 90.0 99.7 0.230 0.231 0.001 12 1 no 0.043 0 0
1 37 LEU QD 17 no 30.0 99.9 0.032 0.032 0.000 17 8 no 0.009 0 0
1 38 LEU QB 33 no 100.0 100.0 1.425 1.425 0.000 14 8 no 0.005 0 0
1 38 LEU QD 20 yes 90.0 87.3 1.301 1.491 0.190 16 6 yes 1.159 1 3
1 39 VAL QG 53 no 10.0 100.0 0.132 0.132 0.000 11 2 no 0.000 0 0
1 40 ASP QB 66 no 100.0 100.0 3.214 3.215 0.001 9 0 no 0.045 0 0
1 45 LYS QG 198 no 85.0 100.0 0.577 0.577 0.000 1 0 no 0.032 0 0
1 46 HIS QB 162 no 65.0 100.0 0.075 0.075 0.000 3 0 no 0.000 0 0
1 47 PRO QB 187 no 25.0 100.0 0.039 0.039 0.000 2 1 no 0.004 0 0
1 48 LYS QG 197 no 50.0 100.0 0.153 0.153 0.000 1 0 no 0.003 0 0
1 49 LYS QB 196 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 49 LYS QG 195 no 10.0 100.0 0.012 0.012 0.000 1 0 no 0.009 0 0
1 50 GLY QA 212 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 51 VAL QG 115 no 95.0 100.0 0.399 0.399 0.000 6 2 no 0.004 0 0
1 52 GLU QB 211 no 85.0 100.0 0.026 0.026 0.000 1 1 no 0.000 0 0
1 52 GLU QG 168 no 85.0 100.0 0.038 0.038 0.000 3 1 no 0.000 0 0
1 55 GLY QA 126 no 25.0 99.9 0.083 0.083 0.000 5 0 no 0.027 0 0
1 57 GLU QB 186 no 45.0 99.9 0.013 0.013 0.000 2 1 no 0.011 0 0
1 57 GLU QG 210 no 55.0 99.9 0.013 0.013 0.000 1 1 no 0.011 0 0
1 59 SER QB 179 no 100.0 100.0 1.464 1.464 0.000 2 0 no 0.045 0 0
1 61 PHE QB 16 no 100.0 99.9 0.252 0.252 0.000 17 7 no 0.045 0 0
1 61 PHE QD 82 no 100.0 100.0 21.899 21.901 0.002 8 4 no 0.057 0 0
1 61 PHE QE 76 no 100.0 100.0 37.407 37.408 0.001 9 5 no 0.041 0 0
1 63 LYS QB 143 no 40.0 100.0 0.026 0.026 0.000 4 0 no 0.013 0 0
1 63 LYS QD 171 no 100.0 100.0 0.401 0.401 0.000 3 2 no 0.031 0 0
1 63 LYS QE 194 no 35.0 100.0 0.276 0.276 0.000 1 0 no 0.017 0 0
1 63 LYS QG 132 no 80.0 94.5 1.765 1.867 0.102 5 2 no 0.009 0 0
1 64 LYS QB 150 no 100.0 100.0 0.543 0.543 0.000 4 1 no 0.017 0 0
1 64 LYS QD 209 no 70.0 100.0 0.020 0.020 0.000 1 1 no 0.000 0 0
1 64 LYS QG 153 no 100.0 100.0 2.287 2.287 0.000 4 2 no 0.038 0 0
1 65 MET QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 65 MET QG 178 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 66 VAL QG 14 no 100.0 100.0 7.160 7.161 0.001 17 2 no 0.047 0 0
1 67 GLU QB 62 yes 75.0 5.2 0.768 14.739 13.970 10 4 yes 3.660 33 64
1 67 GLU QG 75 no 100.0 100.0 3.360 3.360 0.000 9 5 no 0.031 0 0
1 68 ASN QB 79 no 100.0 100.0 0.208 0.208 0.000 8 2 no 0.000 0 0
1 68 ASN QD 69 no 100.0 100.0 4.276 4.276 0.000 9 2 no 0.023 0 0
1 70 LYS QB 125 no 55.0 100.0 0.032 0.032 0.000 5 0 no 0.011 0 0
1 70 LYS QG 177 no 50.0 100.0 0.094 0.094 0.000 2 0 no 0.000 0 0
1 71 LYS QB 46 no 100.0 100.0 0.600 0.600 0.000 12 4 no 0.026 0 0
1 71 LYS QE 208 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 71 LYS QG 137 no 100.0 100.0 1.957 1.957 0.000 5 3 no 0.014 0 0
1 72 ILE QG 124 no 40.0 100.0 0.023 0.023 0.000 5 0 no 0.000 0 0
1 73 GLU QB 149 no 100.0 100.0 1.523 1.523 0.000 4 1 no 0.007 0 0
1 73 GLU QG 176 no 100.0 100.0 0.993 0.993 0.000 2 0 no 0.005 0 0
1 74 VAL QG 4 no 100.0 89.8 5.998 6.676 0.678 27 10 no 0.035 0 0
1 75 GLU QB 61 no 45.0 0.5 0.022 4.268 4.246 10 4 no 0.028 0 0
1 75 GLU QG 161 no 95.0 99.8 0.101 0.101 0.000 3 0 no 0.034 0 0
1 76 PHE QB 35 no 100.0 100.0 0.144 0.144 0.000 13 5 no 0.007 0 0
1 76 PHE QD 32 yes 100.0 100.0 33.704 33.705 0.001 14 8 no 0.042 0 0
1 76 PHE QE 22 yes 100.0 92.1 34.749 37.725 2.977 16 11 no 0.028 0 0
1 77 ASP QB 19 no 100.0 100.0 1.352 1.352 0.000 16 6 no 0.054 0 0
1 78 LYS QB 111 no 100.0 100.0 1.362 1.362 0.000 6 1 no 0.025 0 0
1 78 LYS QD 160 no 100.0 99.9 0.708 0.708 0.000 3 0 no 0.048 0 0
1 78 LYS QG 94 no 100.0 99.9 4.121 4.123 0.002 7 2 no 0.094 0 0
1 79 GLY QA 96 no 95.0 100.0 0.108 0.108 0.000 7 3 no 0.000 0 0
1 80 GLN QB 104 no 15.0 98.6 0.113 0.115 0.002 6 0 no 0.063 0 0
1 80 GLN QE 192 no 75.0 100.0 0.061 0.061 0.000 2 2 no 0.000 0 0
1 80 GLN QG 93 no 80.0 99.8 1.015 1.017 0.002 7 2 no 0.071 0 0
1 81 ARG QB 55 no 100.0 99.9 0.676 0.677 0.001 11 4 no 0.049 0 0
1 81 ARG QD 136 no 10.0 99.4 0.000 0.000 0.000 5 3 no 0.004 0 0
1 81 ARG QG 65 no 100.0 100.0 1.668 1.668 0.000 10 6 no 0.054 0 0
1 83 ASP QB 59 no 95.0 99.9 0.040 0.040 0.000 10 2 no 0.021 0 0
1 84 LYS QB 25 no 100.0 99.8 3.222 3.228 0.006 15 6 no 0.074 0 0
1 84 LYS QD 172 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 84 LYS QG 31 no 100.0 100.0 1.151 1.151 0.000 14 8 no 0.001 0 0
1 85 TYR QB 12 no 95.0 99.7 0.106 0.106 0.000 19 8 no 0.034 0 0
1 85 TYR QD 74 no 100.0 100.0 9.045 9.045 0.000 9 5 no 0.034 0 0
1 85 TYR QE 185 no 100.0 100.0 4.490 4.490 0.000 2 1 no 0.000 0 0
1 86 GLY QA 103 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.021 0 0
1 87 ARG QB 47 no 100.0 100.0 2.032 2.032 0.000 12 5 no 0.027 0 0
1 88 GLY QA 7 no 100.0 32.3 4.266 13.213 8.947 22 10 no 0.047 0 0
1 89 LEU QB 38 no 100.0 100.0 4.706 4.706 0.000 13 6 no 0.024 0 0
1 89 LEU QD 37 no 100.0 100.0 4.926 4.927 0.001 13 6 no 0.042 0 0
1 91 TYR QB 57 yes 100.0 53.3 4.864 9.128 4.265 11 5 yes 0.815 0 29
1 91 TYR QD 101 yes 95.0 95.2 6.577 6.908 0.331 7 5 yes 1.061 1 1
1 91 TYR QE 84 yes 95.0 81.3 8.683 10.680 1.996 8 5 yes 1.066 2 4
1 92 ILE QG 129 no 100.0 100.0 1.252 1.252 0.000 5 1 no 0.017 0 0
1 93 TYR QB 52 no 100.0 100.0 0.000 0.000 0.000 11 2 no 0.021 0 0
1 93 TYR QD 21 yes 100.0 95.3 29.864 31.337 1.473 16 9 yes 0.849 0 17
1 93 TYR QE 73 yes 100.0 100.0 52.226 52.227 0.002 9 4 no 0.112 0 0
1 95 ASP QB 87 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 96 GLY QA 123 no 100.0 100.0 0.002 0.002 0.000 5 0 no 0.053 0 0
1 97 LYS QB 48 no 100.0 100.0 1.865 1.866 0.000 11 0 no 0.017 0 0
1 97 LYS QD 207 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 97 LYS QE 170 no 100.0 100.0 1.895 1.895 0.000 3 2 no 0.014 0 0
1 97 LYS QG 110 no 100.0 100.0 1.638 1.639 0.000 6 1 no 0.025 0 0
1 98 MET QB 119 no 100.0 99.9 3.034 3.036 0.002 6 3 no 0.031 0 0
1 98 MET QG 184 no 25.0 100.0 0.491 0.491 0.000 2 1 no 0.000 0 0
1 99 VAL QG 109 no 100.0 100.0 5.229 5.231 0.002 6 1 no 0.000 0 0
1 100 ASN QB 24 no 100.0 99.9 0.988 0.989 0.001 15 6 no 0.041 0 0
1 100 ASN QD 175 no 100.0 100.0 0.001 0.001 0.000 2 0 no 0.045 0 0
1 101 GLU QB 122 no 25.0 99.1 0.026 0.026 0.000 5 0 no 0.038 0 0
1 103 LEU QB 23 no 100.0 100.0 0.571 0.571 0.000 15 4 no 0.001 0 0
1 103 LEU QD 9 no 100.0 100.0 3.966 3.966 0.000 21 11 no 0.025 0 0
1 104 VAL QG 11 no 100.0 100.0 9.488 9.489 0.001 19 1 no 0.041 0 0
1 105 ARG QB 102 no 100.0 100.0 2.478 2.478 0.000 6 0 no 0.033 0 0
1 106 GLN QB 6 no 100.0 99.9 2.718 2.719 0.002 22 10 no 0.076 0 0
1 106 GLN QE 139 no 100.0 99.5 0.444 0.446 0.002 5 4 no 0.175 0 0
1 106 GLN QG 58 no 95.0 99.7 1.473 1.477 0.004 11 7 no 0.198 0 0
1 107 GLY QA 86 no 100.0 99.9 0.963 0.964 0.001 7 0 no 0.049 0 0
1 108 LEU QB 18 no 25.0 98.2 0.004 0.004 0.000 16 6 no 0.016 0 0
1 108 LEU QD 1 no 100.0 100.0 4.368 4.368 0.000 44 18 no 0.035 0 0
1 110 LYS QB 174 no 95.0 100.0 1.044 1.044 0.000 2 0 no 0.021 0 0
1 111 VAL QG 114 no 100.0 100.0 2.764 2.765 0.001 6 2 no 0.055 0 0
1 113 TYR QB 68 no 100.0 49.0 6.019 12.280 6.261 9 2 yes 4.237 2 2
1 113 TYR QD 135 no 80.0 44.2 4.571 10.339 5.768 5 3 yes 3.065 25 28
1 113 TYR QE 191 no 100.0 100.0 8.978 8.978 0.000 2 2 no 0.000 0 0
1 114 VAL QG 28 no 100.0 100.0 8.639 8.639 0.000 14 5 no 0.027 0 0
1 115 TYR QB 131 no 35.0 95.9 0.013 0.014 0.001 5 2 no 0.021 0 0
1 115 TYR QD 81 yes 90.0 52.6 6.054 11.505 5.451 8 4 yes 3.252 2 4
1 115 TYR QE 190 yes 90.0 85.0 9.136 10.752 1.615 2 2 yes 3.678 2 2
1 116 LYS QB 148 no 5.0 100.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 116 LYS QD 138 no 65.0 44.1 0.684 1.549 0.865 5 4 no 0.043 0 0
1 116 LYS QE 206 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 116 LYS QG 118 no 100.0 99.9 1.231 1.233 0.001 6 3 no 0.062 0 0
1 117 PRO QB 159 no 30.0 100.0 0.002 0.002 0.000 3 0 no 0.000 0 0
1 118 ASN QB 113 no 100.0 99.8 0.238 0.238 0.000 6 2 no 0.052 0 0
1 118 ASN QD 147 no 100.0 100.0 3.163 3.165 0.001 4 1 no 0.062 0 0
1 119 ASN QB 60 no 35.0 99.6 0.003 0.003 0.000 10 4 no 0.014 0 0
1 119 ASN QD 77 no 100.0 100.0 1.925 1.925 0.000 9 6 no 0.043 0 0
1 121 HIS QB 29 no 55.0 10.5 0.096 0.916 0.820 14 6 no 0.036 0 0
1 122 GLU QB 108 no 55.0 100.0 0.366 0.366 0.000 6 1 no 0.003 0 0
1 123 GLN QB 92 no 100.0 100.0 0.732 0.732 0.000 7 2 no 0.000 0 0
1 123 GLN QE 183 no 85.0 100.0 0.112 0.112 0.000 2 1 no 0.003 0 0
1 123 GLN QG 117 no 100.0 100.0 0.338 0.338 0.000 6 3 no 0.004 0 0
1 124 LEU QB 54 no 100.0 100.0 1.038 1.038 0.000 11 3 no 0.000 0 0
1 124 LEU QD 64 no 100.0 100.0 5.034 5.034 0.000 10 5 no 0.031 0 0
1 125 LEU QB 63 no 40.0 99.8 0.011 0.011 0.000 10 5 no 0.013 0 0
1 125 LEU QD 3 no 85.0 12.8 1.522 11.898 10.377 28 13 yes 2.574 3 3
1 126 ARG QB 130 no 100.0 100.0 0.827 0.827 0.000 5 2 no 0.015 0 0
1 126 ARG QD 134 no 85.0 100.0 0.880 0.880 0.000 5 3 no 0.014 0 0
1 126 ARG QG 182 no 35.0 100.0 0.004 0.004 0.000 2 1 no 0.000 0 0
1 127 LYS QB 158 no 100.0 100.0 1.543 1.543 0.000 3 0 no 0.000 0 0
1 127 LYS QG 167 no 100.0 99.9 0.811 0.812 0.000 3 1 no 0.040 0 0
1 128 SER QB 128 no 100.0 99.7 0.235 0.235 0.001 5 1 no 0.040 0 0
1 129 GLU QB 107 no 100.0 99.9 2.822 2.823 0.002 6 1 no 0.057 0 0
1 131 GLN QB 51 no 10.0 96.9 0.058 0.060 0.002 11 2 no 0.108 0 0
1 131 GLN QG 112 no 60.0 99.3 0.241 0.243 0.002 6 2 no 0.108 0 0
1 133 LYS QB 50 no 100.0 99.9 1.619 1.620 0.001 11 2 no 0.061 0 0
1 133 LYS QD 152 no 100.0 99.9 1.183 1.184 0.001 4 2 no 0.073 0 0
1 133 LYS QE 156 no 60.0 99.9 0.246 0.247 0.000 4 3 no 0.034 0 0
1 133 LYS QG 166 no 15.0 99.4 0.027 0.027 0.000 3 1 no 0.059 0 0
1 134 LYS QB 141 no 100.0 99.7 0.474 0.476 0.002 4 0 no 0.088 0 0
1 134 LYS QD 189 no 100.0 100.0 0.037 0.037 0.000 2 2 no 0.011 0 0
1 134 LYS QE 181 no 100.0 100.0 0.597 0.597 0.000 2 1 no 0.014 0 0
1 134 LYS QG 165 no 95.0 100.0 0.658 0.658 0.000 3 1 no 0.026 0 0
1 135 GLU QB 146 no 100.0 99.9 3.397 3.399 0.002 4 1 no 0.056 0 0
1 135 GLU QG 91 no 100.0 100.0 0.822 0.822 0.000 7 1 no 0.017 0 0
1 136 LYS QB 127 no 100.0 100.0 0.582 0.582 0.000 5 1 no 0.000 0 0
1 136 LYS QE 173 no 100.0 100.0 1.682 1.682 0.000 2 0 no 0.024 0 0
1 136 LYS QG 157 no 100.0 99.9 1.042 1.043 0.001 3 0 no 0.044 0 0
1 137 LEU QB 99 no 100.0 99.9 1.837 1.839 0.003 7 4 no 0.086 0 0
1 137 LEU QD 45 no 100.0 100.0 1.389 1.389 0.000 12 4 no 0.010 0 0
1 138 ASN QD 155 no 95.0 100.0 1.513 1.514 0.001 4 3 no 0.076 0 0
1 139 ILE QG 193 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 140 TRP QB 90 no 100.0 99.7 0.633 0.635 0.002 7 1 no 0.084 0 0
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