NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424747 |
2g35   |
7061 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2g35
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 181
_Stereo_assign_list.Swap_count 12
_Stereo_assign_list.Swap_percentage 6.6
_Stereo_assign_list.Deassign_count 72
_Stereo_assign_list.Deassign_percentage 39.8
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 191.421
_Stereo_assign_list.Total_e_high_states 1086.001
_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 LYS QB 138 no 95.0 95.4 1.281 1.343 0.062 6 1 no 0.688 0 1
1 2 LYS QD 158 no 100.0 98.4 0.456 0.463 0.007 4 0 no 0.137 0 0
1 2 LYS QG 128 no 100.0 35.4 0.749 2.117 1.369 7 0 yes 0.981 0 28
1 4 TYR QB 55 yes 80.0 23.9 0.206 0.863 0.657 15 6 yes 1.280 1 7
1 4 TYR QD 112 no 100.0 96.8 10.232 10.573 0.342 10 6 no 0.858 0 2
1 4 TYR QE 153 no 100.0 98.5 10.453 10.610 0.157 5 4 yes 1.293 1 1
1 5 GLY QA 136 no 100.0 0.0 0.000 0.039 0.039 6 0 no 0.276 0 0
1 6 VAL QG 51 no 100.0 100.0 0.851 0.851 0.000 15 2 no 0.000 0 0
1 7 SER QB 97 no 75.0 42.5 1.236 2.905 1.670 11 1 yes 1.337 12 36
1 8 PHE QB 119 yes 80.0 70.5 0.274 0.389 0.115 8 1 no 0.736 0 4
1 9 PHE QB 133 no 70.0 100.0 0.016 0.016 0.000 7 4 no 0.000 0 0
1 9 PHE QD 110 no 100.0 100.0 7.390 7.390 0.000 10 4 no 0.000 0 0
1 9 PHE QE 47 no 100.0 98.8 69.308 70.145 0.837 16 8 yes 1.048 1 24
1 10 LEU QB 90 no 100.0 98.9 2.401 2.428 0.027 12 5 no 0.429 0 0
1 10 LEU QD 13 no 100.0 100.0 1.433 1.433 0.000 23 12 no 0.000 0 0
1 11 VAL QG 3 no 100.0 100.0 3.637 3.637 0.000 28 10 no 0.000 0 0
1 12 LYS QB 37 no 100.0 97.6 6.033 6.179 0.146 18 10 no 0.564 0 1
1 12 LYS QD 21 no 100.0 98.0 10.317 10.530 0.213 21 13 no 0.400 0 0
1 12 LYS QE 145 no 75.0 85.5 1.070 1.252 0.182 6 6 no 0.322 0 0
1 12 LYS QG 34 no 100.0 90.3 12.381 13.704 1.323 18 9 yes 1.104 3 38
1 13 GLU QB 58 no 100.0 66.4 3.480 5.239 1.759 15 11 yes 1.200 1 22
1 13 GLU QG 93 no 5.0 1.9 0.000 0.020 0.019 12 8 no 0.356 0 0
1 14 LYS QB 166 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 14 LYS QD 160 no 100.0 79.9 10.423 13.049 2.626 4 1 yes 3.827 11 34
1 15 MET QB 20 no 100.0 86.0 7.450 8.664 1.214 21 13 yes 1.167 1 34
1 15 MET QG 132 no 90.0 82.2 0.288 0.350 0.062 7 4 no 0.844 0 1
1 16 LYS QB 135 no 100.0 82.3 3.039 3.690 0.652 6 0 yes 1.224 6 7
1 16 LYS QD 162 no 100.0 94.4 3.807 4.032 0.226 4 2 no 0.824 0 3
1 16 LYS QG 157 no 100.0 89.5 1.213 1.355 0.143 4 0 no 0.643 0 6
1 17 GLY QA 169 no 60.0 60.0 0.175 0.292 0.117 3 1 no 0.243 0 0
1 18 LYS QB 83 no 90.0 58.7 4.560 7.766 3.206 12 4 yes 2.262 21 21
1 18 LYS QD 131 yes 75.0 52.9 0.722 1.365 0.643 7 4 yes 1.499 3 12
1 18 LYS QE 181 no 70.0 49.5 0.031 0.063 0.032 1 1 no 0.000 0 0
1 18 LYS QG 113 no 40.0 4.1 0.094 2.288 2.194 10 7 yes 1.644 20 23
1 19 ASN QB 122 no 20.0 0.0 0.000 0.831 0.831 8 4 yes 1.006 1 24
1 19 ASN QD 165 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 20 LYS QB 49 no 100.0 76.4 4.593 6.011 1.418 16 9 yes 1.762 12 20
1 20 LYS QD 168 no 100.0 99.4 3.309 3.330 0.021 3 1 no 0.301 0 0
1 20 LYS QE 134 no 95.0 84.4 0.169 0.200 0.031 7 6 no 0.665 0 1
1 20 LYS QG 89 no 65.0 10.1 0.213 2.121 1.907 12 5 yes 1.822 20 20
1 21 LEU QB 11 no 100.0 85.5 3.485 4.078 0.593 24 13 yes 1.821 1 12
1 21 LEU QD 36 no 100.0 100.0 0.437 0.437 0.000 18 10 no 0.022 0 0
1 22 VAL QG 88 no 100.0 100.0 5.270 5.270 0.000 12 5 no 0.000 0 0
1 23 PRO QB 30 no 100.0 64.8 3.729 5.752 2.022 19 11 yes 2.539 1 40
1 23 PRO QD 78 no 100.0 99.8 0.576 0.577 0.001 13 8 no 0.022 0 0
1 23 PRO QG 48 no 100.0 59.2 2.776 4.690 1.913 16 9 yes 1.329 22 22
1 24 ARG QB 26 no 100.0 71.8 4.258 5.932 1.674 20 8 yes 1.217 5 41
1 24 ARG QD 61 no 95.0 82.1 6.019 7.329 1.311 14 3 yes 2.091 2 14
1 24 ARG QG 129 no 100.0 84.7 5.554 6.555 1.002 7 1 yes 1.002 1 11
1 25 LEU QB 54 yes 100.0 99.8 0.734 0.736 0.001 15 6 no 0.116 0 0
1 25 LEU QD 4 no 100.0 100.0 4.647 4.647 0.000 28 15 no 0.000 0 0
1 26 LEU QB 19 no 0.0 0.0 0.000 0.086 0.086 21 9 no 0.762 0 2
1 26 LEU QD 12 no 100.0 99.5 1.282 1.289 0.007 24 14 no 0.203 0 0
1 27 GLY QA 33 no 70.0 7.6 0.242 3.201 2.959 18 7 yes 1.579 18 27
1 28 ILE QG 23 no 80.0 67.1 2.677 3.991 1.314 20 4 yes 1.566 10 24
1 30 LYS QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 LYS QD 176 no 80.0 98.5 1.203 1.222 0.019 2 1 no 0.269 0 0
1 30 LYS QE 174 no 75.0 25.0 0.474 1.898 1.423 2 0 yes 1.533 12 30
1 30 LYS QG 137 no 95.0 88.8 2.240 2.523 0.282 6 1 no 0.824 0 4
1 31 GLU QB 87 no 100.0 87.9 3.595 4.090 0.495 12 5 no 0.824 0 6
1 31 GLU QG 86 no 100.0 81.0 1.822 2.250 0.428 12 5 yes 0.617 0 11
1 32 CYS QB 70 no 95.0 57.4 0.937 1.634 0.697 13 2 yes 0.884 0 19
1 33 VAL QG 1 no 100.0 100.0 8.810 8.813 0.003 39 14 no 0.168 0 0
1 34 MET QB 8 no 100.0 22.3 2.074 9.300 7.226 25 12 yes 2.592 39 68
1 34 MET QG 56 no 90.0 25.3 0.066 0.262 0.196 15 7 no 0.866 0 5
1 35 ARG QB 42 no 100.0 79.7 1.033 1.297 0.264 16 2 no 0.777 0 5
1 35 ARG QD 118 no 70.0 44.5 0.073 0.163 0.090 9 7 no 0.269 0 0
1 35 ARG QG 53 no 100.0 89.8 5.126 5.709 0.582 15 6 yes 1.029 2 13
1 36 VAL QG 6 no 100.0 100.0 4.364 4.364 0.000 26 8 no 0.000 0 0
1 37 ASP QB 28 no 0.0 0.0 0.000 20.089 20.089 19 6 yes 4.892 39 39
1 38 GLU QB 15 no 100.0 67.8 3.592 5.301 1.709 22 6 yes 1.098 13 25
1 38 GLU QG 18 no 100.0 93.5 9.255 9.898 0.642 21 9 yes 0.763 0 20
1 39 LYS QB 52 no 100.0 31.7 0.953 3.002 2.050 15 4 yes 1.032 2 40
1 39 LYS QD 148 no 85.0 69.7 1.674 2.404 0.730 5 0 yes 1.713 1 22
1 39 LYS QG 109 no 100.0 97.7 1.697 1.737 0.040 10 4 no 0.352 0 0
1 41 LYS QB 67 no 40.0 52.9 0.097 0.183 0.086 14 9 no 0.609 0 1
1 41 LYS QD 170 no 65.0 8.1 1.748 21.608 19.859 3 3 yes 2.956 38 38
1 41 LYS QE 164 no 70.0 90.9 0.385 0.424 0.039 4 4 no 0.609 0 1
1 41 LYS QG 77 no 65.0 67.8 1.531 2.259 0.727 13 7 yes 1.919 5 7
1 42 GLU QB 16 no 100.0 83.9 5.922 7.058 1.136 22 10 yes 1.218 6 27
1 42 GLU QG 82 no 100.0 89.7 2.033 2.266 0.234 12 4 no 0.487 0 0
1 43 VAL QG 5 no 100.0 100.0 5.963 5.963 0.000 27 8 no 0.000 0 0
1 44 ILE QG 115 no 100.0 85.6 3.312 3.871 0.559 9 2 no 0.024 0 0
1 45 GLN QB 117 no 100.0 96.5 0.706 0.732 0.026 9 4 no 0.254 0 0
1 45 GLN QE 143 no 100.0 65.2 0.314 0.482 0.168 6 4 no 0.651 0 2
1 45 GLN QG 35 no 100.0 82.9 3.993 4.816 0.822 18 10 yes 1.439 6 16
1 46 GLU QB 80 no 100.0 85.2 3.590 4.214 0.624 12 2 yes 0.897 0 20
1 46 GLU QG 85 no 100.0 94.0 2.987 3.177 0.190 12 5 no 0.537 0 2
1 47 TRP QB 25 no 100.0 73.9 2.862 3.872 1.010 20 6 yes 0.947 0 40
1 48 SER QB 74 no 80.0 58.9 0.253 0.429 0.176 13 4 no 0.314 0 0
1 49 LEU QB 69 no 100.0 95.8 1.603 1.672 0.070 13 2 no 0.716 0 2
1 49 LEU QD 2 no 100.0 100.0 2.059 2.059 0.000 29 11 no 0.000 0 0
1 51 ASN QB 73 no 65.0 83.2 1.493 1.793 0.301 13 4 yes 1.218 1 10
1 52 ILE QG 68 no 100.0 94.5 1.888 1.997 0.109 13 2 no 0.558 0 3
1 53 LYS QB 130 no 100.0 100.0 0.566 0.566 0.000 7 2 no 0.000 0 0
1 53 LYS QD 150 no 75.0 35.7 0.185 0.518 0.333 5 2 yes 1.529 2 4
1 53 LYS QE 156 no 100.0 0.0 0.000 0.046 0.046 4 0 no 0.530 0 1
1 53 LYS QG 147 no 80.0 42.5 0.566 1.331 0.765 5 0 yes 1.178 4 16
1 54 ARG QB 127 no 75.0 52.4 0.154 0.294 0.140 7 0 no 0.585 0 5
1 54 ARG QD 63 no 100.0 86.8 8.010 9.232 1.221 14 5 yes 1.071 1 42
1 54 ARG QG 180 no 15.0 100.0 0.207 0.207 0.000 1 0 no 0.016 0 0
1 55 TRP QB 146 no 100.0 91.0 3.533 3.881 0.348 5 0 no 0.575 0 3
1 58 SER QB 101 no 100.0 81.8 4.719 5.767 1.048 11 4 yes 0.748 0 40
1 59 PRO QB 142 no 100.0 0.0 0.000 0.013 0.013 6 4 no 0.000 0 0
1 59 PRO QD 140 no 100.0 100.0 0.002 0.002 0.000 6 2 no 0.070 0 0
1 59 PRO QG 104 no 100.0 82.2 5.064 6.159 1.095 11 7 yes 0.668 0 20
1 60 LYS QB 103 yes 95.0 47.1 1.211 2.574 1.362 11 6 yes 1.009 1 39
1 60 LYS QD 151 no 95.0 70.0 7.480 10.681 3.201 5 3 yes 2.025 13 36
1 60 LYS QG 121 yes 100.0 45.5 0.123 0.269 0.147 8 3 no 0.947 0 1
1 61 SER QB 59 no 35.0 14.8 0.245 1.652 1.408 14 0 yes 1.474 9 32
1 62 PHE QB 84 no 30.0 100.0 0.017 0.017 0.000 12 5 no 0.000 0 0
1 62 PHE QD 31 no 100.0 99.9 49.479 49.528 0.050 18 3 no 0.608 0 1
1 62 PHE QE 179 no 90.0 81.3 0.523 0.644 0.120 1 0 yes 1.133 1 2
1 64 LEU QB 126 no 90.0 74.6 0.710 0.952 0.242 7 0 no 0.844 0 7
1 64 LEU QD 149 no 65.0 100.0 0.147 0.147 0.000 5 2 no 0.000 0 0
1 65 ASP QB 96 yes 95.0 83.9 0.199 0.237 0.038 11 1 no 0.618 0 1
1 66 PHE QB 100 no 100.0 93.0 0.801 0.861 0.060 11 4 no 0.394 0 0
1 66 PHE QD 66 no 100.0 99.8 37.816 37.893 0.077 14 8 no 0.512 0 6
1 66 PHE QE 124 no 100.0 100.0 32.152 32.153 0.001 8 5 no 0.133 0 0
1 67 GLY QA 81 no 100.0 11.7 0.012 0.102 0.090 12 4 no 0.840 0 1
1 68 ASP QB 79 no 85.0 84.4 3.032 3.592 0.560 12 0 yes 1.001 1 9
1 69 TYR QB 108 no 100.0 76.7 1.658 2.161 0.503 10 4 yes 1.027 1 2
1 69 TYR QD 91 yes 100.0 48.5 10.039 20.678 10.639 12 6 no 0.667 0 2
1 69 TYR QE 163 yes 100.0 100.0 11.060 11.060 0.000 4 3 no 0.000 0 0
1 70 GLN QB 76 yes 85.0 29.7 3.439 11.581 8.142 13 7 yes 1.042 1 44
1 70 GLN QG 46 no 85.0 44.7 6.419 14.362 7.942 16 8 yes 2.265 7 17
1 71 ASP QB 99 no 100.0 75.0 2.802 3.735 0.934 11 4 no 0.813 0 4
1 72 GLY QA 125 no 75.0 18.5 0.030 0.164 0.134 7 0 no 0.845 0 1
1 73 TYR QB 45 no 100.0 66.9 0.629 0.940 0.311 16 6 no 0.782 0 1
1 73 TYR QD 75 no 100.0 99.4 38.181 38.428 0.247 13 5 no 0.458 0 0
1 73 TYR QE 98 no 100.0 99.6 52.171 52.370 0.198 11 4 no 0.609 0 3
1 74 TYR QB 41 no 100.0 37.7 0.705 1.870 1.165 17 8 yes 1.124 20 20
1 74 TYR QD 50 no 100.0 98.6 31.388 31.838 0.450 16 10 yes 1.551 4 8
1 74 TYR QE 95 no 100.0 96.4 39.353 40.820 1.467 12 10 yes 1.410 11 22
1 75 SER QB 106 no 65.0 36.3 0.110 0.303 0.193 10 0 yes 1.251 1 8
1 76 VAL QG 7 no 100.0 100.0 3.740 3.740 0.000 25 7 no 0.000 0 0
1 77 GLN QB 17 no 100.0 96.8 5.053 5.218 0.165 22 12 no 0.564 0 2
1 77 GLN QG 102 no 85.0 53.0 3.094 5.835 2.741 11 5 yes 2.316 14 27
1 80 GLU QB 72 no 25.0 93.9 0.599 0.638 0.039 13 4 no 0.634 0 1
1 80 GLU QG 57 no 80.0 38.5 0.422 1.097 0.675 15 8 no 0.889 0 17
1 81 GLY QA 9 no 85.0 37.8 0.633 1.672 1.039 24 4 yes 1.275 3 32
1 82 GLU QB 62 no 100.0 82.5 5.309 6.438 1.128 14 5 yes 1.103 3 30
1 82 GLU QG 116 no 100.0 62.8 0.945 1.506 0.561 9 3 yes 0.610 0 20
1 83 GLN QB 64 no 100.0 84.7 3.955 4.670 0.715 14 7 yes 1.199 2 7
1 83 GLN QE 94 no 100.0 72.3 1.440 1.991 0.551 12 10 no 0.703 0 9
1 83 GLN QG 39 no 100.0 77.0 3.521 4.571 1.050 18 11 yes 0.855 0 33
1 84 ILE QG 60 no 90.0 98.7 4.131 4.184 0.053 14 2 no 0.672 0 2
1 86 GLN QB 44 no 100.0 65.5 0.869 1.326 0.458 16 6 no 0.465 0 0
1 86 GLN QE 144 no 0.0 0.0 0.000 0.300 0.300 6 6 no 0.733 0 2
1 86 GLN QG 65 no 75.0 0.0 0.000 0.529 0.529 14 8 no 0.912 0 3
1 87 LEU QB 32 no 100.0 10.9 1.550 14.244 12.693 18 4 no 0.297 0 0
1 87 LEU QD 92 no 100.0 100.0 1.659 1.659 0.000 12 7 no 0.000 0 0
1 88 ILE QG 24 no 100.0 32.5 5.593 17.221 11.627 20 5 yes 1.148 13 13
1 90 GLY QA 43 no 95.0 96.2 2.321 2.412 0.090 16 3 no 0.333 0 0
1 91 TYR QB 38 no 100.0 89.7 5.991 6.679 0.688 18 11 yes 0.815 0 18
1 91 TYR QD 29 yes 100.0 91.3 53.710 58.830 5.120 19 9 no 0.152 0 0
1 91 TYR QE 40 yes 100.0 98.1 58.467 59.600 1.133 17 8 yes 1.045 1 35
1 92 ILE QG 22 no 100.0 94.6 6.880 7.270 0.390 20 4 no 0.614 0 8
1 93 ASP QB 107 no 95.0 97.3 4.113 4.226 0.113 10 3 no 0.581 0 1
1 94 ILE QG 114 no 100.0 95.5 4.159 4.357 0.198 9 0 no 0.603 0 2
1 95 ILE QG 120 no 100.0 88.8 5.967 6.721 0.755 8 2 yes 0.925 0 20
1 96 LEU QB 71 no 100.0 85.8 7.166 8.349 1.184 13 4 yes 0.924 0 40
1 96 LEU QD 27 no 100.0 100.0 2.371 2.371 0.000 20 13 no 0.058 0 0
1 97 LYS QB 167 no 30.0 73.1 0.195 0.266 0.071 3 1 no 0.325 0 0
1 97 LYS QD 161 no 80.0 78.2 1.090 1.393 0.304 4 2 no 0.982 0 7
1 97 LYS QE 177 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 97 LYS QG 123 no 30.0 54.1 0.155 0.286 0.131 8 5 no 0.431 0 0
1 98 LYS QB 173 no 95.0 88.7 0.686 0.773 0.087 2 0 no 0.341 0 0
1 98 LYS QD 178 no 90.0 86.4 0.883 1.023 0.139 1 0 no 0.909 0 2
1 98 LYS QG 155 no 50.0 54.8 0.135 0.246 0.111 4 0 yes 1.135 1 2
1 99 LYS QB 154 no 70.0 49.6 0.545 1.099 0.553 4 0 yes 1.414 12 14
1 99 LYS QG 172 no 40.0 22.4 0.069 0.307 0.238 2 0 yes 1.166 2 3
2 2 TRP QB 111 no 100.0 84.5 3.032 3.588 0.557 10 5 no 0.525 0 5
2 3 VAL QG 14 no 100.0 100.0 15.474 15.474 0.000 22 2 no 0.000 0 0
2 5 SER QB 105 no 100.0 98.2 0.438 0.446 0.008 10 0 no 0.335 0 0
2 6 PRO QB 152 no 100.0 0.0 0.000 0.000 0.000 5 4 no 0.000 0 0
2 6 PRO QD 159 no 100.0 100.0 0.299 0.299 0.000 4 1 no 0.000 0 0
2 6 PRO QG 141 no 100.0 100.0 0.550 0.550 0.000 6 4 no 0.000 0 0
2 7 LEU QB 139 no 0.0 0.0 0.000 0.167 0.167 6 2 no 0.745 0 3
2 7 LEU QD 10 no 100.0 100.0 5.731 5.731 0.000 24 8 no 0.000 0 0
2 8 HIS QB 171 no 0.0 0.0 0.000 0.135 0.135 2 0 no 0.709 0 2
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