NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569314 |
3zfj   |
18943 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_3zfj
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 193
_Stereo_assign_list.Swap_count 57
_Stereo_assign_list.Swap_percentage 29.5
_Stereo_assign_list.Deassign_count 67
_Stereo_assign_list.Deassign_percentage 34.7
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 236.969
_Stereo_assign_list.Total_e_high_states 1330.576
_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 12 SER QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 TYR QB 121 no 70.0 4.8 0.003 0.070 0.066 8 3 no 0.301 0 0
1 13 TYR QD 186 no 85.0 10.6 0.024 0.224 0.200 3 2 no 0.862 0 5
1 13 TYR QE 193 yes 80.0 50.6 0.797 1.575 0.778 1 0 yes 3.011 4 4
1 14 ILE QG 182 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 15 ASP QB 164 no 50.0 66.5 0.290 0.437 0.146 5 1 yes 1.077 1 3
1 16 GLY QA 163 no 80.0 36.1 0.028 0.079 0.050 5 1 no 0.002 0 0
1 17 ASP QB 162 no 95.0 70.8 0.261 0.369 0.108 5 1 yes 1.026 1 3
1 18 GLN QB 145 yes 85.0 78.8 0.301 0.382 0.081 6 2 no 0.645 0 3
1 18 GLN QG 177 no 85.0 75.1 0.306 0.407 0.101 4 2 no 0.645 0 3
1 20 GLY QA 181 no 55.0 44.5 0.086 0.192 0.107 3 0 no 0.778 0 9
1 21 GLN QB 120 yes 75.0 75.4 0.396 0.526 0.129 8 2 no 0.825 0 4
1 21 GLN QG 174 no 75.0 33.6 0.049 0.145 0.096 4 1 no 0.851 0 1
1 22 LYS QB 113 no 70.0 65.2 0.090 0.138 0.048 9 4 no 0.384 0 0
1 22 LYS QE 192 no 50.0 17.3 0.050 0.288 0.238 2 2 no 0.745 0 5
1 22 LYS QG 149 no 75.0 43.4 0.510 1.177 0.667 6 3 yes 1.307 3 13
1 24 GLU QB 170 no 85.0 85.9 0.569 0.663 0.094 5 2 no 0.755 0 3
1 24 GLU QG 41 yes 85.0 54.7 2.637 4.825 2.188 16 8 yes 2.792 12 20
1 25 ASN QB 161 no 35.0 30.1 0.027 0.090 0.063 5 1 no 0.559 0 4
1 26 LEU QB 169 yes 100.0 92.8 0.785 0.846 0.061 5 2 no 0.502 0 1
1 26 LEU QD 24 no 75.0 68.2 4.766 6.988 2.222 19 9 yes 2.592 12 25
1 28 PRO QB 88 no 100.0 100.0 0.984 0.984 0.000 12 7 no 0.033 0 0
1 28 PRO QD 39 no 100.0 99.1 0.330 0.333 0.003 16 7 no 0.090 0 0
1 28 PRO QG 77 no 100.0 98.7 2.283 2.314 0.031 13 9 no 0.571 0 1
1 29 ASP QB 173 no 80.0 94.2 2.538 2.693 0.155 4 1 no 0.907 0 5
1 30 GLU QB 28 no 75.0 28.4 0.148 0.521 0.373 18 8 no 0.502 0 1
1 30 GLU QG 84 no 60.0 60.6 1.451 2.396 0.945 12 5 yes 1.280 1 17
1 31 VAL QG 5 no 100.0 92.1 38.593 41.926 3.333 30 13 yes 2.832 24 24
1 32 SER QB 129 yes 75.0 60.4 0.301 0.498 0.197 7 1 no 0.799 0 3
1 33 LYS QB 184 no 100.0 99.9 1.243 1.244 0.001 3 1 no 0.066 0 0
1 33 LYS QG 144 no 100.0 100.0 0.014 0.014 0.000 6 2 no 0.000 0 0
1 34 ARG QB 176 no 95.0 83.7 2.238 2.673 0.434 4 2 yes 1.188 2 3
1 34 ARG QD 128 no 55.0 37.3 0.904 2.423 1.519 8 5 yes 1.751 9 23
1 34 ARG QG 137 yes 90.0 88.4 1.300 1.470 0.171 7 3 no 0.930 0 6
1 35 GLU QB 69 yes 100.0 97.1 0.636 0.656 0.019 13 2 no 0.238 0 0
1 35 GLU QG 99 no 100.0 99.6 0.931 0.935 0.003 11 4 no 0.130 0 0
1 36 GLY QA 171 no 100.0 100.0 0.003 0.003 0.000 4 0 no 0.066 0 0
1 37 ILE QG 80 no 100.0 93.2 0.137 0.147 0.010 12 1 no 0.259 0 0
1 38 ASN QB 155 yes 90.0 67.5 0.278 0.412 0.134 5 0 yes 1.312 1 2
1 40 GLU QB 72 no 95.0 93.2 3.025 3.244 0.219 13 4 no 0.945 0 3
1 40 GLU QG 160 no 60.0 47.2 0.480 1.016 0.537 5 1 yes 1.458 10 10
1 41 GLN QB 159 no 100.0 100.0 0.425 0.425 0.000 5 1 no 0.000 0 0
1 41 GLN QE 27 no 65.0 54.0 0.044 0.081 0.037 18 8 no 0.230 0 0
1 41 GLN QG 61 no 70.0 63.2 1.144 1.811 0.667 14 6 yes 1.655 5 12
1 42 ILE QG 139 yes 100.0 45.4 0.307 0.676 0.369 6 0 yes 0.783 0 15
1 43 VAL QG 9 no 100.0 82.7 15.350 18.563 3.213 28 9 no 0.261 0 0
1 44 ILE QG 31 yes 100.0 100.0 0.222 0.222 0.000 17 4 no 0.000 0 0
1 45 LYS QB 59 no 70.0 50.8 0.365 0.718 0.353 14 3 no 0.491 0 0
1 45 LYS QD 183 yes 95.0 87.1 0.831 0.954 0.123 3 1 yes 1.325 1 1
1 45 LYS QG 62 yes 95.0 83.8 0.542 0.647 0.105 14 7 no 0.717 0 2
1 46 ILE QG 75 no 95.0 83.8 0.123 0.147 0.024 13 5 no 0.013 0 0
1 48 ASP QB 132 no 50.0 16.9 0.032 0.187 0.156 7 2 no 0.694 0 2
1 49 GLN QB 110 no 60.0 48.3 0.265 0.549 0.284 9 3 yes 0.723 0 24
1 49 GLN QG 143 no 90.0 63.8 0.286 0.448 0.162 6 2 no 0.758 0 2
1 50 GLY QA 92 no 55.0 28.8 0.101 0.351 0.250 11 1 yes 1.063 1 9
1 51 TYR QB 38 no 100.0 80.5 0.097 0.121 0.024 16 7 no 0.178 0 0
1 51 TYR QD 43 yes 100.0 83.5 16.841 20.172 3.331 16 9 yes 2.156 14 32
1 51 TYR QE 175 yes 100.0 99.9 8.021 8.031 0.010 4 2 no 0.178 0 0
1 52 VAL QG 8 no 100.0 97.7 38.356 39.264 0.908 29 12 yes 0.888 0 21
1 54 SER QB 17 no 95.0 84.4 0.053 0.062 0.010 20 4 no 0.357 0 0
1 55 HIS QB 109 yes 100.0 99.2 1.512 1.523 0.012 9 2 no 0.174 0 0
1 56 GLY QA 78 yes 100.0 97.3 3.816 3.922 0.106 12 0 no 0.652 0 1
1 57 ASP QB 154 yes 85.0 42.1 0.253 0.601 0.348 5 0 yes 1.545 3 3
1 58 HIS QB 118 no 100.0 96.3 0.101 0.105 0.004 8 0 no 0.105 0 0
1 59 TYR QB 112 yes 100.0 94.4 0.331 0.350 0.020 9 4 no 0.000 0 0
1 59 TYR QD 87 no 100.0 97.8 31.441 32.140 0.699 12 7 yes 0.844 0 20
1 59 TYR QE 127 no 100.0 99.6 54.211 54.435 0.224 8 5 no 0.220 0 0
1 60 HIS QB 95 yes 100.0 53.7 8.535 15.896 7.361 11 2 yes 5.777 16 19
1 61 TYR QB 74 no 100.0 99.8 3.557 3.564 0.007 13 5 no 0.154 0 0
1 61 TYR QD 125 no 100.0 99.7 15.792 15.841 0.049 8 4 no 0.189 0 0
1 61 TYR QE 148 no 100.0 99.8 22.563 22.599 0.036 6 3 no 0.260 0 0
1 62 TYR QB 70 no 35.0 48.2 0.585 1.214 0.629 13 3 yes 0.969 0 11
1 62 TYR QE 107 no 90.0 67.9 21.243 31.292 10.049 10 7 yes 5.303 24 25
1 63 ASN QB 108 yes 80.0 77.9 1.051 1.350 0.299 9 2 no 0.839 0 13
1 64 GLY QA 131 no 90.0 21.1 0.040 0.190 0.150 7 2 no 0.839 0 6
1 65 LYS QB 106 yes 100.0 92.9 1.491 1.605 0.114 10 4 no 0.622 0 3
1 65 LYS QD 150 no 70.0 75.3 2.761 3.666 0.904 6 4 yes 1.341 6 14
1 65 LYS QE 151 no 60.0 11.6 0.218 1.879 1.661 6 5 yes 1.403 8 25
1 65 LYS QG 111 yes 95.0 54.0 0.582 1.078 0.496 9 4 yes 1.062 1 14
1 66 VAL QG 3 no 100.0 95.6 30.762 32.179 1.417 30 10 no 0.236 0 0
1 67 PRO QB 37 yes 100.0 98.3 2.254 2.293 0.039 16 6 no 0.155 0 0
1 67 PRO QD 25 yes 100.0 11.8 0.836 7.097 6.261 19 13 no 0.096 0 0
1 67 PRO QG 48 no 100.0 97.2 1.939 1.996 0.057 15 7 no 0.201 0 0
1 68 TYR QB 68 no 100.0 100.0 1.227 1.228 0.000 13 2 no 0.044 0 0
1 68 TYR QD 54 no 100.0 99.7 49.346 49.475 0.128 15 10 no 0.889 0 2
1 68 TYR QE 53 no 100.0 98.7 85.308 86.433 1.125 15 10 yes 1.159 5 22
1 69 ASP QB 168 no 90.0 87.8 0.572 0.651 0.079 5 2 no 0.889 0 2
1 71 ILE QG 56 no 100.0 93.5 0.440 0.471 0.031 14 1 no 0.207 0 0
1 72 ILE QG 21 yes 100.0 99.7 0.736 0.738 0.002 19 6 no 0.066 0 0
1 73 SER QB 35 no 55.0 6.1 0.127 2.066 1.939 16 5 yes 2.270 14 19
1 74 GLU QB 36 no 80.0 4.0 0.084 2.092 2.008 16 6 no 0.796 0 2
1 74 GLU QG 32 no 70.0 81.4 1.905 2.340 0.435 17 5 yes 1.091 1 12
1 75 GLU QB 101 yes 100.0 86.2 0.350 0.406 0.056 11 5 no 0.126 0 0
1 75 GLU QG 52 no 85.0 58.4 0.838 1.433 0.595 15 10 yes 1.582 3 12
1 76 LEU QB 47 no 100.0 93.6 4.027 4.301 0.274 15 4 no 0.758 0 9
1 76 LEU QD 4 yes 100.0 97.1 7.888 8.119 0.231 30 12 no 0.525 0 1
1 77 LEU QB 73 no 75.0 60.5 1.031 1.705 0.674 13 5 no 0.786 0 12
1 77 LEU QD 7 no 55.0 39.3 1.776 4.518 2.743 29 9 yes 1.861 38 74
1 78 MET QB 26 yes 100.0 94.3 2.471 2.619 0.148 18 8 no 0.786 0 5
1 78 MET QG 42 yes 80.0 24.7 2.496 10.113 7.618 16 9 yes 2.835 7 12
1 79 LYS QB 119 no 60.0 22.9 0.006 0.028 0.021 8 2 no 0.218 0 0
1 79 LYS QG 167 no 60.0 38.6 0.068 0.177 0.108 5 2 yes 1.072 1 5
1 80 ASP QB 60 yes 90.0 61.1 0.564 0.923 0.360 14 6 no 0.894 0 8
1 81 PRO QB 124 no 100.0 94.1 0.086 0.091 0.005 8 4 no 0.288 0 0
1 81 PRO QD 51 no 85.0 26.2 0.008 0.032 0.023 15 8 no 0.195 0 0
1 81 PRO QG 105 yes 100.0 93.5 0.260 0.278 0.018 10 4 no 0.244 0 0
1 82 ASN QB 188 no 40.0 98.8 0.004 0.004 0.000 2 0 no 0.029 0 0
1 83 TYR QB 50 yes 80.0 26.6 0.283 1.063 0.780 15 8 yes 1.455 2 7
1 83 TYR QD 116 yes 85.0 79.5 27.475 34.546 7.071 9 6 yes 4.607 18 33
1 83 TYR QE 44 yes 75.0 66.0 39.780 60.302 20.523 16 11 yes 4.808 42 57
1 84 GLN QB 98 yes 80.0 89.0 1.910 2.147 0.237 11 4 no 0.588 0 4
1 84 GLN QG 147 no 20.0 3.8 0.003 0.081 0.078 6 3 no 0.221 0 0
1 85 LEU QB 22 yes 100.0 23.3 3.103 13.329 10.226 19 8 yes 4.093 5 5
1 85 LEU QD 12 no 100.0 64.7 22.141 34.247 12.106 26 11 yes 3.610 9 9
1 86 LYS QB 58 no 70.0 82.7 0.657 0.795 0.138 14 3 no 0.483 0 0
1 86 LYS QD 142 yes 95.0 99.2 1.838 1.852 0.014 6 2 no 0.404 0 0
1 86 LYS QG 166 no 45.0 84.7 0.200 0.236 0.036 5 2 no 0.999 0 6
1 87 ASP QB 146 no 80.0 79.6 2.611 3.278 0.667 6 3 no 0.989 0 4
1 88 SER QB 130 yes 100.0 27.0 0.179 0.660 0.482 7 2 yes 1.408 4 8
1 89 ASP QB 79 yes 85.0 84.1 0.356 0.424 0.068 12 1 no 0.656 0 3
1 90 ILE QG 45 yes 100.0 99.9 2.479 2.482 0.004 15 3 no 0.090 0 0
1 91 VAL QG 10 no 100.0 91.2 35.979 39.463 3.485 27 13 yes 4.163 47 67
1 92 ASN QB 65 no 95.0 69.3 0.616 0.889 0.273 14 8 yes 1.281 2 5
1 92 ASN QD 34 no 95.0 74.9 1.269 1.694 0.425 17 10 no 0.597 0 1
1 93 GLU QB 136 no 95.0 93.1 3.752 4.030 0.277 7 3 yes 1.144 2 2
1 93 GLU QG 67 no 100.0 95.6 3.135 3.280 0.146 14 9 no 0.355 0 0
1 94 ILE QG 16 no 70.0 2.9 0.008 0.290 0.281 20 2 no 0.597 0 2
1 95 LYS QB 20 yes 100.0 82.5 0.248 0.300 0.052 20 13 no 0.490 0 0
1 95 LYS QD 178 no 45.0 7.6 0.005 0.060 0.055 4 3 no 0.293 0 0
1 95 LYS QE 153 no 85.0 68.4 0.385 0.563 0.178 6 6 yes 1.019 1 3
1 95 LYS QG 66 yes 100.0 75.6 0.188 0.249 0.061 14 9 no 0.684 0 1
1 96 GLY QA 97 no 100.0 76.2 0.455 0.597 0.142 11 4 no 0.541 0 3
1 97 GLY QA 33 no 100.0 96.3 4.464 4.633 0.169 17 8 no 0.194 0 0
1 98 TYR QB 23 yes 100.0 68.5 4.234 6.182 1.948 19 9 no 0.236 0 0
1 98 TYR QD 91 no 100.0 99.7 42.685 42.813 0.128 12 11 no 0.334 0 0
1 98 TYR QE 152 no 100.0 99.7 26.402 26.491 0.089 6 6 no 0.355 0 0
1 99 VAL QG 6 no 95.0 94.4 27.090 28.696 1.606 29 5 yes 2.387 10 13
1 100 ILE QG 18 yes 100.0 83.4 2.456 2.946 0.490 20 8 yes 1.416 4 4
1 101 LYS QB 30 no 35.0 13.0 0.069 0.532 0.463 18 11 no 0.245 0 0
1 101 LYS QD 103 no 100.0 3.7 0.015 0.394 0.380 11 11 no 0.000 0 0
1 101 LYS QE 55 no 100.0 91.4 1.314 1.437 0.123 15 14 no 0.129 0 0
1 101 LYS QG 13 no 100.0 32.7 1.212 3.705 2.493 26 19 no 0.893 0 1
1 102 VAL QG 11 no 100.0 86.5 25.080 28.999 3.919 26 11 yes 3.254 16 18
1 103 ASP QB 94 no 100.0 59.7 2.593 4.346 1.753 11 2 yes 2.681 10 16
1 104 GLY QA 86 no 100.0 98.9 1.374 1.389 0.015 12 7 no 0.285 0 0
1 105 LYS QB 64 no 100.0 47.8 0.762 1.593 0.832 14 8 yes 1.688 6 12
1 105 LYS QD 191 yes 85.0 99.6 0.258 0.260 0.001 2 2 no 0.000 0 0
1 105 LYS QE 179 no 40.0 16.9 0.139 0.823 0.684 4 4 no 0.611 0 2
1 105 LYS QG 49 yes 90.0 49.6 0.670 1.351 0.681 15 8 yes 1.360 3 6
1 106 TYR QB 57 no 100.0 85.3 0.428 0.502 0.074 14 3 no 0.570 0 1
1 106 TYR QD 100 no 100.0 49.5 8.375 16.928 8.553 11 5 yes 2.882 31 39
1 106 TYR QE 29 yes 95.0 90.8 65.669 72.362 6.692 18 11 yes 4.170 26 37
1 107 TYR QB 19 yes 100.0 72.3 0.325 0.450 0.125 20 10 no 0.178 0 0
1 107 TYR QD 102 no 80.0 82.4 19.543 23.709 4.166 11 7 yes 2.767 18 24
1 107 TYR QE 85 no 80.0 77.3 37.743 48.839 11.096 12 7 yes 4.075 29 40
1 108 VAL QG 1 no 100.0 94.8 14.346 15.131 0.785 36 14 no 0.275 0 0
1 109 TYR QB 14 no 75.0 69.1 3.705 5.363 1.658 21 6 yes 1.752 3 3
1 109 TYR QD 15 no 95.0 62.0 57.711 93.142 35.431 21 14 yes 4.820 19 49
1 109 TYR QE 114 no 95.0 74.4 13.959 18.750 4.791 9 5 yes 2.489 8 23
1 110 LEU QB 82 no 100.0 95.0 2.058 2.167 0.109 12 3 no 0.295 0 0
1 110 LEU QD 2 no 100.0 87.2 32.964 37.806 4.842 32 8 yes 1.948 38 65
1 111 LYS QB 83 yes 100.0 98.4 2.620 2.662 0.043 12 5 no 0.334 0 0
1 111 LYS QD 187 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 111 LYS QG 90 no 100.0 77.2 2.178 2.819 0.642 12 8 yes 3.125 1 1
1 112 ASP QB 158 no 10.0 12.6 0.003 0.026 0.023 5 1 no 0.327 0 0
1 115 HIS QB 117 no 70.0 21.0 0.063 0.298 0.235 8 0 yes 0.712 0 14
1 117 ASP QB 172 no 80.0 84.9 0.027 0.032 0.005 4 1 no 0.248 0 0
1 118 ASN QB 46 no 75.0 60.8 0.900 1.480 0.580 15 4 yes 1.399 5 10
1 118 ASN QD 89 no 25.0 30.7 0.050 0.162 0.112 12 8 no 0.306 0 0
1 119 ILE QG 157 no 100.0 99.8 2.236 2.242 0.005 5 1 no 0.246 0 0
1 120 ARG QB 71 no 90.0 80.1 0.830 1.037 0.207 13 4 no 0.336 0 0
1 120 ARG QG 165 no 45.0 7.3 0.006 0.080 0.074 5 2 no 0.664 0 1
1 122 LYS QB 135 no 100.0 96.8 1.798 1.857 0.059 7 3 no 0.088 0 0
1 122 LYS QD 185 no 60.0 14.4 0.091 0.631 0.540 3 2 no 0.760 0 4
1 122 LYS QG 40 no 80.0 35.4 1.204 3.406 2.202 16 8 yes 1.383 3 17
1 123 GLU QB 141 yes 100.0 97.0 0.495 0.510 0.015 6 2 no 0.127 0 0
1 123 GLU QG 140 no 100.0 45.6 0.018 0.040 0.022 6 2 no 0.473 0 0
1 124 GLU QB 93 no 100.0 99.9 0.195 0.195 0.000 11 2 no 0.060 0 0
1 124 GLU QG 76 yes 95.0 93.7 1.218 1.300 0.082 13 6 no 0.824 0 1
1 125 ILE QG 104 no 100.0 99.7 0.966 0.969 0.003 10 0 no 0.087 0 0
1 126 LYS QG 180 no 85.0 88.0 0.011 0.013 0.002 3 0 no 0.272 0 0
1 127 ARG QB 123 no 45.0 44.7 0.512 1.145 0.633 8 4 yes 1.156 1 17
1 127 ARG QD 122 yes 95.0 68.5 0.114 0.167 0.052 8 4 no 0.654 0 1
1 127 ARG QG 138 no 25.0 1.7 0.001 0.038 0.038 7 4 no 0.433 0 0
1 128 GLN QB 156 no 100.0 100.0 0.007 0.007 0.000 5 1 no 0.365 0 0
1 128 GLN QE 126 yes 100.0 33.6 0.401 1.193 0.792 8 5 yes 1.519 9 13
1 128 GLN QG 63 no 60.0 74.3 2.474 3.330 0.856 14 8 yes 1.935 3 5
1 129 LYS QB 81 no 85.0 74.7 4.142 5.542 1.400 12 3 yes 2.087 3 25
1 129 LYS QD 190 yes 95.0 95.8 0.424 0.443 0.019 2 2 no 0.220 0 0
1 129 LYS QE 115 no 90.0 74.6 2.352 3.153 0.801 9 6 yes 1.318 3 9
1 129 LYS QG 96 yes 85.0 68.0 0.419 0.616 0.197 11 3 no 0.785 0 3
1 130 GLN QB 134 yes 90.0 56.2 0.302 0.538 0.235 7 3 no 0.737 0 2
1 130 GLN QG 133 no 100.0 67.7 0.165 0.244 0.079 7 3 no 0.726 0 1
stop_
save_
Contact the webmaster for help, if required. Sunday, May 19, 2024 9:36:11 PM GMT (wattos1)