NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
493876 |
2kr9   |
16632 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kr9
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 274
_Stereo_assign_list.Swap_count 147
_Stereo_assign_list.Swap_percentage 53.6
_Stereo_assign_list.Deassign_count 69
_Stereo_assign_list.Deassign_percentage 25.2
_Stereo_assign_list.Model_count 15
_Stereo_assign_list.Total_e_low_states 85.773
_Stereo_assign_list.Total_e_high_states 1168.281
_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 PRO QB 258 no 46.7 32.7 0.000 0.001 0.001 2 0 no 0.070 0 0
1 3 LEU QB 237 no 80.0 12.4 0.006 0.044 0.039 3 0 no 0.543 0 1
1 3 LEU QD 272 no 66.7 76.5 0.960 1.254 0.294 1 0 yes 1.466 2 4
1 4 GLY QA 257 yes 80.0 78.5 0.771 0.982 0.211 2 0 no 0.920 0 4
1 6 PRO QB 107 yes 100.0 36.3 0.639 1.759 1.121 10 3 no 0.244 0 0
1 6 PRO QD 130 yes 100.0 90.4 2.262 2.503 0.241 9 6 no 0.634 0 1
1 6 PRO QG 226 yes 100.0 99.4 1.016 1.022 0.006 4 2 no 0.102 0 0
1 7 GLU QB 271 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 7 GLU QG 138 no 73.3 71.6 1.032 1.442 0.410 8 1 yes 1.305 10 26
1 8 PHE QB 68 yes 86.7 96.6 0.545 0.564 0.019 14 5 no 0.439 0 0
1 9 PRO QB 150 no 100.0 97.9 1.063 1.086 0.023 8 4 no 0.349 0 0
1 9 PRO QD 41 yes 100.0 99.0 3.571 3.607 0.036 18 10 no 0.225 0 0
1 9 PRO QG 262 no 73.3 83.6 0.098 0.117 0.019 2 1 no 0.472 0 0
1 10 GLY QA 270 no 60.0 60.9 0.142 0.233 0.091 1 0 no 0.747 0 3
1 11 ARG QB 101 no 73.3 58.7 0.196 0.334 0.138 10 0 yes 1.504 2 3
1 12 LYS QB 256 no 60.0 67.2 0.085 0.126 0.041 2 0 no 0.567 0 1
1 13 LYS QB 236 no 66.7 60.5 0.457 0.755 0.298 3 0 yes 1.187 2 17
1 14 GLU QB 269 no 33.3 11.4 0.004 0.032 0.029 1 0 no 0.611 0 1
1 15 PHE QB 158 yes 86.7 90.8 0.717 0.789 0.072 7 0 no 0.514 0 1
1 16 ILE QG 247 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 20 LEU QB 92 yes 100.0 99.1 1.628 1.643 0.015 11 4 no 0.492 0 0
1 20 LEU QD 14 no 100.0 97.8 34.323 35.107 0.784 34 7 yes 1.482 1 1
1 21 LEU QB 58 yes 100.0 99.7 1.881 1.886 0.005 15 4 no 0.077 0 0
1 21 LEU QD 6 no 100.0 92.7 21.691 23.399 1.708 48 15 no 0.244 0 0
1 22 GLN QB 56 yes 100.0 99.1 6.981 7.045 0.065 15 2 no 0.339 0 0
1 22 GLN QE 222 yes 100.0 99.2 1.994 2.010 0.015 4 1 no 0.244 0 0
1 22 GLN QG 44 yes 93.3 93.7 3.725 3.976 0.251 17 3 yes 1.240 1 5
1 25 LYS QB 225 yes 100.0 100.0 1.072 1.072 0.000 4 2 no 0.000 0 0
1 27 TYR QB 176 yes 100.0 94.3 0.283 0.300 0.017 6 0 no 0.202 0 0
1 28 VAL QG 4 no 100.0 99.5 30.496 30.664 0.168 52 13 no 0.317 0 0
1 29 ARG QB 164 yes 100.0 100.0 1.557 1.557 0.000 7 1 no 0.026 0 0
1 29 ARG QD 108 yes 80.0 71.4 2.939 4.118 1.179 10 5 yes 1.466 9 23
1 29 ARG QG 151 yes 93.3 69.1 0.106 0.153 0.047 8 5 no 0.646 0 4
1 30 ASP QB 246 no 46.7 36.1 0.007 0.019 0.012 3 1 no 0.302 0 0
1 31 LEU QB 45 yes 100.0 100.0 5.257 5.258 0.001 17 7 no 0.073 0 0
1 31 LEU QD 1 no 100.0 96.3 58.838 61.077 2.240 68 14 no 0.302 0 0
1 32 HIS QB 111 yes 100.0 99.2 1.900 1.916 0.016 9 0 no 0.163 0 0
1 33 GLU QB 261 no 53.3 87.8 0.082 0.093 0.011 2 1 no 0.457 0 0
1 33 GLU QG 60 no 60.0 56.7 1.324 2.336 1.012 15 6 yes 1.473 7 29
1 34 CYS QB 90 yes 100.0 99.9 4.850 4.853 0.003 11 3 no 0.746 0 1
1 35 LEU QB 53 yes 100.0 99.4 2.556 2.570 0.015 16 7 no 0.229 0 0
1 35 LEU QD 2 no 100.0 73.0 22.947 31.439 8.492 64 26 no 0.648 0 2
1 36 GLU QB 184 yes 100.0 100.0 0.675 0.675 0.000 6 1 no 0.045 0 0
1 36 GLU QG 38 yes 86.7 86.0 3.090 3.595 0.505 18 3 yes 1.213 2 12
1 38 TYR QB 202 yes 100.0 99.1 1.537 1.551 0.014 5 1 no 0.125 0 0
1 39 LEU QB 51 yes 100.0 95.0 0.216 0.227 0.011 16 6 no 0.124 0 0
1 39 LEU QD 5 no 100.0 88.1 38.456 43.631 5.175 52 15 no 0.183 0 0
1 40 TRP QB 118 no 100.0 99.9 0.072 0.072 0.000 9 2 no 0.309 0 0
1 41 GLU QB 190 yes 100.0 93.2 0.150 0.161 0.011 6 2 no 0.192 0 0
1 41 GLU QG 110 yes 86.7 47.4 0.202 0.427 0.224 9 0 no 0.951 0 3
1 42 MET QB 106 yes 100.0 99.9 8.877 8.889 0.012 10 3 no 0.122 0 0
1 42 MET QG 28 yes 100.0 100.0 1.826 1.826 0.000 21 4 no 0.009 0 0
1 44 SER QB 78 yes 86.7 89.3 2.304 2.582 0.277 12 0 yes 1.067 2 4
1 45 GLY QA 91 yes 100.0 97.5 2.066 2.120 0.053 11 4 no 0.265 0 0
1 46 VAL QG 21 no 100.0 86.8 10.487 12.083 1.597 27 6 no 0.152 0 0
1 47 GLU QB 137 yes 100.0 99.7 4.405 4.420 0.015 8 1 no 0.152 0 0
1 47 GLU QG 214 no 73.3 60.9 0.566 0.929 0.363 4 0 yes 1.124 4 19
1 49 ILE QG 80 yes 100.0 97.9 7.976 8.149 0.172 12 1 no 0.068 0 0
1 50 PRO QB 221 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 50 PRO QG 201 yes 100.0 99.9 3.465 3.468 0.004 5 1 no 0.111 0 0
1 51 PRO QB 96 yes 100.0 99.7 1.786 1.791 0.005 11 5 no 0.121 0 0
1 51 PRO QG 224 no 100.0 100.0 3.552 3.552 0.000 4 2 no 0.004 0 0
1 52 GLY QA 59 no 100.0 32.3 0.786 2.430 1.644 15 6 no 0.047 0 0
1 53 ILE QG 102 no 100.0 100.0 1.444 1.444 0.000 10 2 no 0.000 0 0
1 54 LEU QB 72 no 100.0 97.0 0.050 0.052 0.002 13 1 no 0.214 0 0
1 54 LEU QD 25 no 100.0 96.7 14.788 15.289 0.501 23 13 no 0.712 0 3
1 55 ASN QB 71 yes 93.3 92.8 2.270 2.445 0.176 14 8 yes 1.885 16 30
1 55 ASN QD 54 no 100.0 64.9 3.913 6.030 2.117 16 8 yes 1.295 1 3
1 56 LYS QB 200 yes 100.0 100.0 1.750 1.750 0.000 5 1 no 0.007 0 0
1 56 LYS QE 268 no 60.0 100.0 0.143 0.143 0.000 1 0 no 0.000 0 0
1 56 LYS QG 134 yes 100.0 99.8 2.795 2.799 0.004 8 0 no 0.129 0 0
1 57 GLU QB 220 no 100.0 99.4 0.824 0.829 0.005 4 1 no 0.163 0 0
1 58 HIS QB 136 yes 100.0 100.0 1.310 1.310 0.000 8 1 no 0.013 0 0
1 60 ILE QG 42 yes 100.0 99.4 6.035 6.073 0.037 17 1 no 0.208 0 0
1 61 PHE QB 124 yes 100.0 98.9 1.342 1.357 0.015 9 3 no 0.156 0 0
1 62 GLY QA 163 no 100.0 100.0 0.033 0.033 0.000 7 1 no 0.336 0 0
1 63 ASN QB 245 yes 93.3 80.0 0.715 0.894 0.179 3 1 yes 1.633 1 1
1 63 ASN QD 219 yes 100.0 99.4 0.857 0.861 0.005 4 1 no 0.106 0 0
1 64 ILE QG 147 yes 100.0 99.3 0.755 0.760 0.005 8 3 no 0.107 0 0
1 65 GLN QB 63 yes 100.0 99.6 1.386 1.391 0.005 15 10 no 0.126 0 0
1 65 GLN QE 33 no 100.0 94.1 10.075 10.711 0.636 20 13 no 0.071 0 0
1 65 GLN QG 24 yes 100.0 99.2 8.788 8.863 0.075 23 12 no 0.110 0 0
1 66 GLU QB 149 yes 100.0 96.9 0.167 0.173 0.005 8 4 no 0.109 0 0
1 66 GLU QG 77 yes 100.0 99.6 2.421 2.431 0.010 13 4 no 0.089 0 0
1 67 ILE QG 79 yes 100.0 100.0 1.473 1.473 0.000 12 1 no 0.022 0 0
1 68 TYR QB 48 yes 100.0 99.9 3.403 3.405 0.002 17 9 no 0.056 0 0
1 69 ASP QB 83 yes 100.0 86.4 2.174 2.515 0.341 12 5 no 0.725 0 2
1 70 PHE QB 157 yes 100.0 100.0 1.077 1.078 0.000 7 0 no 0.035 0 0
1 71 HIS QB 129 yes 100.0 99.5 2.532 2.546 0.014 9 6 no 0.248 0 0
1 72 ASN QB 61 yes 100.0 97.5 3.241 3.324 0.082 15 7 no 0.223 0 0
1 72 ASN QD 173 no 93.3 60.1 0.227 0.378 0.151 7 4 yes 1.505 1 1
1 73 ASN QB 117 yes 86.7 81.7 0.671 0.821 0.150 9 2 no 0.790 0 3
1 73 ASN QD 116 yes 86.7 62.2 0.122 0.197 0.074 9 2 no 0.719 0 2
1 74 ILE QG 88 yes 100.0 99.8 3.331 3.336 0.005 11 1 no 0.078 0 0
1 75 PHE QB 196 no 100.0 100.0 0.283 0.283 0.000 5 0 no 0.023 0 0
1 76 LEU QB 99 yes 100.0 99.8 4.002 4.011 0.009 11 7 no 0.280 0 0
1 76 LEU QD 22 no 100.0 95.5 41.036 42.959 1.923 27 12 yes 1.850 10 16
1 77 LYS QB 244 yes 100.0 100.0 2.323 2.323 0.000 3 1 no 0.016 0 0
1 77 LYS QE 205 no 66.7 70.5 2.217 3.146 0.929 5 4 yes 1.478 10 29
1 77 LYS QG 95 yes 100.0 53.9 3.345 6.211 2.866 11 5 yes 1.054 8 10
1 78 GLU QB 87 yes 100.0 99.8 0.566 0.567 0.001 11 1 no 0.049 0 0
1 78 GLU QG 64 yes 100.0 99.9 6.965 6.974 0.009 14 0 no 0.094 0 0
1 79 LEU QB 172 yes 100.0 99.4 1.434 1.442 0.009 7 3 no 0.218 0 0
1 79 LEU QD 12 no 100.0 98.1 32.009 32.632 0.623 35 7 no 0.155 0 0
1 80 GLU QB 70 yes 100.0 100.0 3.907 3.908 0.001 14 6 no 0.063 0 0
1 80 GLU QG 31 yes 100.0 95.4 7.452 7.809 0.357 21 8 yes 1.174 7 15
1 81 LYS QB 109 yes 100.0 99.4 1.814 1.825 0.011 9 0 no 0.145 0 0
1 81 LYS QD 260 yes 93.3 94.0 1.010 1.074 0.064 2 1 no 0.969 0 1
1 81 LYS QE 189 yes 80.0 46.7 0.396 0.848 0.452 6 2 yes 1.251 4 21
1 81 LYS QG 76 yes 100.0 93.5 7.640 8.173 0.533 13 4 yes 1.011 1 1
1 82 TYR QB 57 yes 100.0 99.9 3.339 3.341 0.002 15 3 no 0.100 0 0
1 83 GLU QB 183 no 100.0 99.9 0.841 0.842 0.001 6 1 no 0.052 0 0
1 83 GLU QG 235 no 80.0 67.4 0.573 0.851 0.277 3 0 yes 1.010 1 6
1 84 GLN QB 162 yes 100.0 99.9 1.677 1.678 0.001 7 1 no 0.120 0 0
1 84 GLN QE 169 no 66.7 87.1 0.368 0.423 0.055 7 2 yes 1.440 3 5
1 84 GLN QG 188 yes 93.3 91.1 3.200 3.513 0.313 6 2 yes 1.441 2 3
1 85 LEU QB 30 yes 100.0 99.3 2.246 2.263 0.017 21 8 no 0.183 0 0
1 85 LEU QD 32 no 100.0 99.8 9.922 9.943 0.021 20 8 no 0.162 0 0
1 86 PRO QB 98 no 100.0 98.5 0.948 0.963 0.014 11 6 no 0.156 0 0
1 86 PRO QD 94 yes 100.0 99.9 1.231 1.232 0.001 11 5 no 0.049 0 0
1 86 PRO QG 249 yes 100.0 100.0 1.504 1.504 0.000 3 2 no 0.023 0 0
1 87 GLU QB 243 yes 100.0 99.7 0.778 0.780 0.002 3 1 no 0.175 0 0
1 87 GLU QG 242 yes 80.0 72.5 0.591 0.815 0.224 3 1 yes 1.415 1 2
1 88 ASP QB 55 yes 100.0 98.9 3.982 4.027 0.044 15 2 no 0.289 0 0
1 89 VAL QG 8 no 100.0 98.4 28.187 28.650 0.462 42 12 no 0.152 0 0
1 90 GLY QA 241 yes 100.0 100.0 1.054 1.054 0.000 3 1 no 0.000 0 0
1 91 HIS QB 213 no 66.7 11.1 0.003 0.024 0.021 4 0 no 0.181 0 0
1 92 CYS QB 18 yes 100.0 98.9 1.429 1.445 0.016 28 8 no 0.133 0 0
1 93 PHE QB 156 yes 100.0 100.0 1.473 1.473 0.000 7 0 no 0.021 0 0
1 94 VAL QG 20 no 100.0 99.8 10.523 10.545 0.023 27 4 no 0.161 0 0
1 96 TRP QB 175 no 100.0 100.0 0.935 0.935 0.000 6 0 no 0.000 0 0
1 98 ASP QB 234 no 53.3 63.0 0.435 0.690 0.255 3 0 no 0.765 0 7
1 99 LYS QB 113 yes 100.0 99.3 0.555 0.559 0.004 9 1 no 0.098 0 0
1 99 LYS QD 123 yes 93.3 81.8 1.604 1.961 0.357 9 3 yes 1.266 1 6
1 99 LYS QE 105 no 60.0 13.2 0.220 1.675 1.455 10 3 yes 1.339 3 23
1 99 LYS QG 248 yes 93.3 92.3 0.537 0.582 0.045 3 2 no 0.898 0 1
1 100 PHE QB 187 yes 100.0 95.9 0.388 0.404 0.017 6 2 yes 1.870 14 15
1 101 GLN QB 182 yes 100.0 98.4 4.794 4.871 0.077 6 1 no 0.754 0 2
1 101 GLN QE 127 no 80.0 80.0 2.856 3.569 0.713 9 5 yes 1.580 6 12
1 101 GLN QG 181 no 93.3 84.7 0.580 0.685 0.105 6 1 yes 1.761 2 13
1 102 MET QG 223 no 73.3 62.6 0.292 0.466 0.174 4 2 yes 2.011 6 16
1 103 TYR QB 240 yes 100.0 100.0 2.011 2.011 0.000 3 1 yes 1.073 2 15
1 104 VAL QG 10 no 100.0 96.3 29.810 30.943 1.132 41 10 no 0.322 0 0
1 106 TYR QB 255 yes 100.0 100.0 0.220 0.220 0.000 2 0 no 0.000 0 0
1 107 CYS QB 212 no 40.0 11.4 0.007 0.061 0.054 4 0 no 0.282 0 0
1 108 LYS QB 168 yes 100.0 100.0 2.249 2.250 0.001 7 2 no 0.102 0 0
1 108 LYS QD 199 yes 100.0 100.0 3.421 3.423 0.001 5 1 yes 1.194 2 15
1 108 LYS QG 82 yes 100.0 89.3 6.320 7.075 0.755 12 4 yes 1.470 5 7
1 109 ASN QB 155 yes 80.0 84.1 1.345 1.598 0.254 7 0 yes 1.084 2 3
1 110 LYS QG 274 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 111 PRO QB 122 yes 100.0 99.9 1.372 1.374 0.002 9 3 no 0.086 0 0
1 111 PRO QD 211 no 100.0 99.1 0.047 0.048 0.000 4 0 no 0.263 0 0
1 111 PRO QG 195 yes 100.0 100.0 0.838 0.838 0.000 5 0 no 0.030 0 0
1 112 ASP QB 121 yes 100.0 99.7 2.332 2.339 0.007 9 3 no 0.144 0 0
1 114 ASN QB 40 yes 100.0 95.0 5.516 5.804 0.288 18 8 no 0.270 0 0
1 114 ASN QD 85 no 100.0 95.0 2.609 2.746 0.138 12 8 no 0.270 0 0
1 115 GLN QB 75 yes 100.0 99.9 2.639 2.641 0.002 13 4 no 0.066 0 0
1 115 GLN QE 62 no 100.0 98.0 8.567 8.743 0.177 15 10 no 0.048 0 0
1 115 GLN QG 97 yes 100.0 99.7 0.899 0.902 0.003 11 6 no 0.080 0 0
1 116 LEU QB 39 yes 100.0 99.7 4.932 4.947 0.015 18 5 no 0.085 0 0
1 116 LEU QD 11 no 100.0 91.9 36.733 39.965 3.232 37 13 no 0.701 0 3
1 117 ILE QG 154 no 100.0 99.5 2.285 2.296 0.011 7 0 no 0.120 0 0
1 118 LEU QB 69 yes 100.0 94.8 4.509 4.757 0.247 14 6 no 0.072 0 0
1 118 LEU QD 29 no 100.0 81.9 7.022 8.579 1.556 21 8 no 0.160 0 0
1 119 GLU QB 47 yes 100.0 98.4 6.271 6.371 0.100 17 8 no 0.120 0 0
1 119 GLU QG 37 yes 100.0 99.3 8.399 8.457 0.058 19 9 no 0.166 0 0
1 120 HIS QB 115 yes 100.0 100.0 1.816 1.816 0.000 9 2 no 0.009 0 0
1 122 GLY QA 100 yes 100.0 99.4 1.815 1.827 0.012 10 0 no 0.369 0 0
1 124 PHE QB 65 yes 100.0 97.0 1.693 1.745 0.052 14 2 no 0.111 0 0
1 125 PHE QB 153 yes 100.0 99.3 0.401 0.404 0.003 7 0 no 0.090 0 0
1 127 GLU QB 133 yes 100.0 99.8 0.909 0.911 0.002 8 0 no 0.132 0 0
1 127 GLU QG 112 yes 100.0 98.7 0.224 0.227 0.003 9 1 no 0.140 0 0
1 128 ILE QG 146 yes 100.0 100.0 1.438 1.438 0.000 8 3 no 0.000 0 0
1 129 GLN QB 171 yes 100.0 100.0 0.178 0.178 0.000 7 3 no 0.000 0 0
1 129 GLN QE 161 no 66.7 50.8 0.241 0.473 0.233 7 1 yes 1.037 1 4
1 129 GLN QG 204 no 20.0 80.8 0.001 0.002 0.000 5 3 no 0.066 0 0
1 130 GLN QB 267 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 130 GLN QG 86 yes 80.0 72.4 1.415 1.955 0.540 11 1 yes 1.438 3 6
1 131 ARG QB 49 yes 100.0 99.7 6.049 6.064 0.016 16 2 no 0.160 0 0
1 131 ARG QD 126 no 100.0 85.6 0.295 0.344 0.049 9 5 no 0.301 0 0
1 131 ARG QG 35 no 93.3 61.9 0.228 0.368 0.140 19 8 no 0.409 0 0
1 132 HIS QB 66 yes 100.0 99.1 3.516 3.548 0.033 14 3 no 0.189 0 0
1 133 GLY QA 194 yes 100.0 95.0 0.304 0.320 0.016 5 0 no 0.154 0 0
1 134 LEU QB 160 yes 100.0 99.8 3.185 3.191 0.006 7 1 no 0.124 0 0
1 134 LEU QD 9 no 100.0 98.1 25.163 25.660 0.497 41 8 no 0.307 0 0
1 136 ASN QB 52 yes 93.3 81.2 6.195 7.630 1.435 16 7 yes 1.693 4 5
1 136 ASN QD 145 no 46.7 42.0 0.036 0.085 0.049 8 3 no 0.468 0 0
1 137 SER QB 193 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 138 ILE QG 43 yes 100.0 99.8 3.449 3.457 0.008 17 2 no 0.107 0 0
1 139 SER QB 142 yes 100.0 100.0 0.655 0.656 0.000 8 2 no 0.026 0 0
1 140 SER QB 74 no 86.7 15.9 0.059 0.369 0.310 13 3 yes 2.083 26 30
1 141 TYR QB 180 yes 100.0 96.5 0.329 0.341 0.012 6 1 no 0.157 0 0
1 142 LEU QB 218 no 100.0 100.0 0.396 0.396 0.000 4 1 no 0.010 0 0
1 142 LEU QD 7 no 100.0 99.0 21.133 21.347 0.214 42 4 no 0.341 0 0
1 143 ILE QG 34 yes 100.0 88.8 8.123 9.142 1.020 19 7 yes 1.246 1 2
1 144 LYS QB 217 yes 100.0 95.4 0.541 0.566 0.026 4 1 no 0.260 0 0
1 144 LYS QD 239 no 46.7 53.4 0.266 0.498 0.232 3 1 yes 1.487 3 6
1 144 LYS QE 254 yes 100.0 99.6 0.553 0.555 0.002 2 0 no 0.103 0 0
1 145 PRO QB 186 no 100.0 68.9 0.158 0.230 0.072 6 2 no 0.246 0 0
1 145 PRO QD 174 yes 100.0 99.8 1.554 1.557 0.003 6 0 no 0.079 0 0
1 145 PRO QG 266 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 146 VAL QG 27 no 100.0 98.5 0.803 0.815 0.013 21 2 no 0.095 0 0
1 147 GLN QB 132 yes 100.0 99.9 3.660 3.663 0.003 8 0 no 0.108 0 0
1 147 GLN QE 120 no 60.0 54.6 0.837 1.534 0.697 9 3 no 0.899 0 26
1 147 GLN QG 227 yes 93.3 83.7 0.854 1.021 0.167 4 3 yes 2.427 7 15
1 148 ARG QB 253 no 73.3 48.6 0.128 0.263 0.135 2 0 no 0.926 0 2
1 148 ARG QD 131 yes 80.0 51.3 0.348 0.678 0.331 9 7 yes 1.374 1 3
1 148 ARG QG 250 no 53.3 4.8 0.008 0.157 0.150 3 3 yes 0.735 0 11
1 149 VAL QG 26 no 100.0 90.5 23.376 25.835 2.459 22 10 no 0.736 0 6
1 151 LYS QB 198 no 26.7 60.9 0.771 1.264 0.494 5 1 yes 0.976 0 11
1 152 TYR QB 93 yes 100.0 99.8 1.282 1.284 0.002 11 5 no 0.054 0 0
1 153 GLN QB 104 yes 100.0 99.7 2.251 2.257 0.006 10 3 no 0.150 0 0
1 153 GLN QE 84 no 60.0 30.1 0.536 1.779 1.243 12 6 yes 1.123 3 20
1 153 GLN QG 144 yes 86.7 91.3 2.045 2.240 0.195 8 3 yes 1.197 2 2
1 154 LEU QB 143 yes 100.0 99.7 2.315 2.323 0.008 8 3 no 0.165 0 0
1 154 LEU QD 81 no 100.0 90.8 2.484 2.735 0.251 12 3 no 0.104 0 0
1 155 LEU QB 141 no 100.0 100.0 0.180 0.180 0.000 8 2 no 0.002 0 0
1 155 LEU QD 17 no 100.0 89.4 10.281 11.500 1.219 31 9 no 0.187 0 0
1 156 LEU QB 125 yes 100.0 98.9 1.648 1.665 0.018 9 5 no 0.173 0 0
1 156 LEU QD 3 no 100.0 93.8 36.339 38.740 2.401 52 13 no 0.208 0 0
1 157 LYS QB 233 yes 100.0 99.9 1.917 1.919 0.002 3 0 no 0.109 0 0
1 157 LYS QD 265 no 26.7 40.8 0.157 0.384 0.227 1 0 no 0.983 0 4
1 157 LYS QE 152 no 66.7 52.7 1.129 2.141 1.013 8 7 no 0.810 0 13
1 157 LYS QG 185 yes 86.7 80.8 1.851 2.293 0.441 6 2 yes 1.259 2 7
1 158 GLU QB 179 no 100.0 100.0 1.571 1.571 0.000 6 1 no 0.000 0 0
1 158 GLU QG 192 no 73.3 71.3 0.500 0.701 0.201 5 0 yes 1.275 5 10
1 159 LEU QD 19 no 100.0 97.2 5.502 5.659 0.157 28 11 no 0.273 0 0
1 160 LEU QB 216 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 160 LEU QD 119 no 100.0 99.4 4.268 4.294 0.026 9 3 no 0.192 0 0
1 162 CYS QB 210 no 66.7 66.1 1.353 2.046 0.693 4 0 yes 1.450 19 20
1 163 CYS QB 178 yes 86.7 76.2 0.820 1.076 0.256 6 1 no 0.934 0 5
1 164 GLU QB 232 no 73.3 98.8 0.023 0.023 0.000 3 0 no 0.065 0 0
1 165 GLU QB 252 no 26.7 38.3 0.103 0.269 0.166 2 0 no 0.970 0 5
1 166 GLY QA 231 yes 80.0 63.2 0.195 0.308 0.113 3 0 no 0.696 0 4
1 167 LYS QB 230 no 86.7 59.5 0.376 0.633 0.257 3 0 yes 1.431 2 2
1 167 LYS QG 264 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 168 GLY QA 159 no 66.7 2.1 0.008 0.393 0.385 7 1 yes 0.821 0 10
1 169 GLU QB 209 yes 93.3 90.2 2.652 2.940 0.288 4 0 yes 1.465 2 2
1 169 GLU QG 170 no 86.7 82.1 0.814 0.991 0.178 7 3 yes 1.122 1 3
1 170 LEU QB 167 yes 100.0 99.9 2.876 2.878 0.002 7 2 no 0.129 0 0
1 170 LEU QD 50 no 100.0 99.0 17.759 17.945 0.185 16 6 no 0.426 0 0
1 171 LYS QB 89 no 100.0 99.2 2.860 2.882 0.023 11 2 no 0.254 0 0
1 171 LYS QG 259 no 33.3 15.7 0.145 0.925 0.780 2 1 yes 1.210 3 10
1 172 ASP QB 229 yes 93.3 96.6 2.920 3.023 0.103 3 0 no 0.785 0 3
1 173 GLY QA 73 yes 100.0 100.0 0.106 0.106 0.000 13 3 yes 0.875 0 9
1 174 LEU QB 36 yes 100.0 99.5 3.918 3.938 0.020 19 9 no 0.270 0 0
1 174 LEU QD 23 no 100.0 84.1 9.978 11.858 1.880 24 10 yes 1.562 11 21
1 175 GLU QB 215 yes 100.0 99.9 3.521 3.523 0.002 4 1 no 0.082 0 0
1 175 GLU QG 140 yes 93.3 90.3 6.910 7.657 0.746 8 2 yes 1.413 5 11
1 176 VAL QG 15 no 100.0 97.1 27.833 28.669 0.836 33 8 no 0.183 0 0
1 177 MET QB 203 no 86.7 3.3 0.001 0.044 0.042 5 2 no 0.291 0 0
1 177 MET QG 238 no 46.7 99.7 0.250 0.251 0.001 3 1 no 0.094 0 0
1 178 LEU QB 139 yes 100.0 99.9 0.764 0.765 0.001 8 2 no 0.193 0 0
1 178 LEU QD 16 no 100.0 96.5 21.380 22.150 0.770 33 9 yes 1.115 2 3
1 179 SER QB 228 no 33.3 54.1 0.040 0.073 0.034 3 0 no 0.503 0 1
1 180 VAL QG 13 no 100.0 87.5 9.393 10.730 1.337 35 9 yes 1.314 5 5
1 181 PRO QB 166 no 100.0 99.6 0.255 0.256 0.001 7 2 yes 1.198 14 15
1 181 PRO QD 46 yes 100.0 98.7 5.254 5.321 0.068 17 8 yes 0.929 0 14
1 181 PRO QG 128 yes 100.0 98.0 4.184 4.269 0.085 9 6 yes 0.599 0 14
1 182 LYS QB 165 no 100.0 99.9 2.645 2.647 0.001 7 2 no 0.082 0 0
1 182 LYS QD 135 no 100.0 99.6 5.961 5.982 0.021 8 1 no 0.199 0 0
1 182 LYS QE 263 no 73.3 17.6 0.030 0.171 0.141 2 2 no 0.815 0 4
1 182 LYS QG 114 no 40.0 4.3 0.007 0.173 0.165 9 2 no 0.815 0 4
1 183 LYS QB 177 yes 100.0 99.4 1.072 1.078 0.006 6 1 no 0.156 0 0
1 183 LYS QD 273 no 93.3 87.7 0.003 0.003 0.000 1 1 no 0.162 0 0
1 183 LYS QE 191 no 73.3 68.5 1.731 2.528 0.797 5 0 yes 1.541 17 29
1 183 LYS QG 103 no 40.0 10.5 0.204 1.938 1.734 10 3 yes 1.755 9 15
1 185 ASN QB 67 yes 93.3 86.0 5.472 6.365 0.893 14 5 yes 1.434 6 11
1 185 ASN QD 148 no 40.0 46.0 0.211 0.459 0.248 8 4 yes 1.490 8 16
1 186 ASP QB 251 no 66.7 93.3 0.198 0.212 0.014 2 0 no 0.869 0 4
1 188 MET QB 208 no 60.0 49.7 0.066 0.132 0.067 4 0 no 0.924 0 1
1 188 MET QG 197 no 73.3 78.7 1.076 1.368 0.292 5 1 yes 1.502 6 18
1 189 HIS QB 207 no 93.3 74.5 0.097 0.130 0.033 4 0 no 0.532 0 1
1 190 VAL QG 206 no 80.0 57.9 1.269 2.191 0.922 4 0 yes 1.979 5 6
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 14, 2024 5:17:42 PM GMT (wattos1)