NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
529434 |
2l7w   |
17382 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2l7w
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 292
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 1
_Stereo_assign_list.Deassign_percentage 0.3
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 4.737
_Stereo_assign_list.Total_e_high_states 488.960
_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 1 MET QB 156 no 100.0 86.3 0.818 0.948 0.129 5 2 no 0.677 0 6
1 1 MET QG 162 no 100.0 95.6 2.103 2.199 0.096 5 3 no 0.327 0 0
1 2 PRO QB 225 no 100.0 99.7 1.441 1.446 0.005 3 1 no 0.201 0 0
1 2 PRO QD 200 no 100.0 99.6 1.314 1.320 0.006 4 3 no 0.175 0 0
1 2 PRO QG 292 no 100.0 99.5 0.528 0.530 0.002 1 1 no 0.060 0 0
1 3 VAL QG 286 no 100.0 100.0 1.616 1.616 0.000 1 0 no 0.022 0 0
1 4 ASP QB 219 no 95.0 93.7 0.224 0.239 0.015 3 0 no 0.337 0 0
1 5 LEU QB 285 no 100.0 99.9 1.546 1.547 0.001 1 0 no 0.089 0 0
1 5 LEU QD 44 no 100.0 100.0 5.407 5.408 0.002 9 3 no 0.133 0 0
1 6 SER QB 254 no 65.0 100.0 0.395 0.395 0.000 2 0 no 0.035 0 0
1 7 LYS QB 218 no 95.0 100.0 0.307 0.307 0.000 3 0 no 0.000 0 0
1 7 LYS QE 271 no 95.0 99.6 0.483 0.485 0.002 2 2 no 0.115 0 0
1 7 LYS QG 233 no 85.0 98.4 0.262 0.267 0.004 3 2 no 0.115 0 0
1 8 TRP QB 238 no 95.0 99.6 1.113 1.118 0.005 3 3 no 0.133 0 0
1 9 SER QB 217 no 100.0 47.6 0.000 0.000 0.000 3 0 no 0.038 0 0
1 10 GLY QA 161 no 100.0 99.0 3.132 3.163 0.031 5 3 no 0.202 0 0
1 11 PRO QB 194 no 100.0 92.7 0.949 1.024 0.074 4 2 no 0.209 0 0
1 11 PRO QD 134 no 100.0 97.1 1.361 1.402 0.041 6 6 no 0.201 0 0
1 11 PRO QG 199 no 100.0 95.4 0.603 0.632 0.029 4 3 no 0.202 0 0
1 12 LEU QB 68 no 100.0 88.8 0.139 0.156 0.017 8 2 no 0.149 0 0
1 12 LEU QD 133 no 100.0 100.0 3.713 3.713 0.001 6 6 no 0.090 0 0
1 13 SER QB 36 no 100.0 90.9 0.865 0.952 0.087 10 4 no 0.280 0 0
1 14 LEU QB 113 no 100.0 100.0 0.003 0.003 0.000 6 1 no 0.000 0 0
1 14 LEU QD 6 no 100.0 100.0 7.734 7.736 0.002 15 11 no 0.118 0 0
1 15 GLN QB 188 no 100.0 98.6 1.814 1.839 0.025 4 1 no 0.239 0 0
1 15 GLN QG 224 no 100.0 79.4 0.113 0.142 0.029 3 1 no 0.308 0 0
1 16 GLU QB 187 no 100.0 100.0 0.174 0.174 0.000 4 1 no 0.000 0 0
1 16 GLU QG 49 no 100.0 96.1 0.663 0.689 0.027 9 5 no 0.216 0 0
1 17 VAL QG 74 no 100.0 99.9 5.723 5.726 0.003 8 4 no 0.226 0 0
1 18 ASP QB 96 no 75.0 99.9 0.736 0.737 0.000 7 3 no 0.094 0 0
1 19 GLU QB 150 no 100.0 99.6 1.219 1.225 0.005 5 1 no 0.176 0 0
1 19 GLU QG 186 no 100.0 98.5 1.215 1.234 0.019 4 1 no 0.256 0 0
1 20 GLN QB 291 no 45.0 99.7 0.896 0.899 0.003 1 1 no 0.123 0 0
1 20 GLN QE 203 no 60.0 55.8 0.012 0.022 0.010 4 4 no 0.176 0 0
1 20 GLN QG 166 no 75.0 98.6 0.743 0.753 0.010 5 5 no 0.176 0 0
1 21 PRO QB 33 no 100.0 99.9 0.013 0.013 0.000 10 2 no 0.156 0 0
1 21 PRO QD 264 no 100.0 100.0 0.000 0.000 0.000 2 1 no 0.002 0 0
1 21 PRO QG 104 no 100.0 97.9 0.882 0.900 0.019 7 5 no 0.198 0 0
1 22 GLN QB 149 no 100.0 95.1 1.504 1.582 0.077 5 1 no 0.337 0 0
1 22 GLN QG 88 no 100.0 98.5 0.254 0.258 0.004 7 2 no 0.119 0 0
1 23 HIS QB 58 no 95.0 85.2 0.031 0.037 0.005 8 1 no 0.098 0 0
1 24 PRO QB 95 no 100.0 99.8 2.195 2.198 0.003 7 3 no 0.101 0 0
1 24 PRO QD 78 no 85.0 33.3 0.006 0.017 0.011 8 6 no 0.148 0 0
1 24 PRO QG 77 no 100.0 99.0 0.931 0.941 0.009 8 6 no 0.104 0 0
1 25 LEU QB 67 no 95.0 46.3 0.010 0.021 0.011 8 2 no 0.154 0 0
1 25 LEU QD 15 no 100.0 99.9 14.467 14.486 0.020 13 7 no 0.283 0 0
1 26 HIS QB 253 no 95.0 100.0 0.926 0.927 0.000 2 0 no 0.079 0 0
1 29 TYR QB 18 no 100.0 99.3 2.336 2.352 0.016 12 0 no 0.160 0 0
1 31 GLY QA 143 no 100.0 100.0 0.029 0.029 0.000 5 0 no 0.000 0 0
1 34 VAL QG 66 no 100.0 99.9 4.467 4.471 0.004 8 2 no 0.103 0 0
1 35 ASP QB 142 no 100.0 99.2 0.476 0.480 0.004 5 0 no 0.106 0 0
1 36 GLU QB 284 no 85.0 97.6 0.341 0.350 0.009 1 0 no 0.216 0 0
1 36 GLU QG 252 no 80.0 99.7 0.843 0.846 0.002 2 0 no 0.124 0 0
1 37 LEU QB 94 no 100.0 100.0 0.007 0.007 0.000 7 3 no 0.000 0 0
1 37 LEU QD 13 no 100.0 100.0 25.109 25.115 0.006 13 6 no 0.196 0 0
1 38 GLY QA 76 no 90.0 81.0 0.013 0.016 0.003 8 5 no 0.109 0 0
1 39 LYS QB 148 no 100.0 99.7 1.951 1.958 0.007 5 1 no 0.146 0 0
1 39 LYS QD 193 no 100.0 99.6 1.696 1.703 0.007 4 2 no 0.137 0 0
1 39 LYS QE 129 no 100.0 99.6 2.291 2.300 0.009 6 4 no 0.182 0 0
1 39 LYS QG 198 no 100.0 100.0 1.614 1.615 0.001 4 3 no 0.047 0 0
1 40 VAL QG 177 no 100.0 100.0 0.708 0.708 0.000 4 0 no 0.000 0 0
1 41 LEU QB 155 no 100.0 99.6 0.893 0.897 0.004 5 2 no 0.067 0 0
1 41 LEU QD 14 no 100.0 100.0 7.415 7.416 0.001 13 7 no 0.062 0 0
1 43 PRO QB 251 no 40.0 100.0 0.003 0.003 0.000 2 0 no 0.000 0 0
1 43 PRO QD 141 no 85.0 100.0 0.114 0.114 0.000 5 0 no 0.000 0 0
1 45 GLN QB 48 no 60.0 9.2 0.003 0.032 0.029 9 5 no 0.190 0 0
1 45 GLN QE 237 no 50.0 100.0 0.069 0.069 0.000 3 3 no 0.000 0 0
1 45 GLN QG 73 no 100.0 100.0 0.629 0.629 0.000 8 4 no 0.059 0 0
1 46 VAL QG 19 no 100.0 100.0 12.385 12.385 0.000 12 4 no 0.029 0 0
1 47 LYS QB 112 no 100.0 98.2 2.154 2.195 0.040 6 1 no 0.204 0 0
1 47 LYS QD 192 no 100.0 99.7 2.403 2.410 0.008 4 2 no 0.111 0 0
1 47 LYS QE 103 no 100.0 97.6 1.664 1.705 0.041 7 5 no 0.204 0 0
1 48 ASN QB 109 no 100.0 82.3 0.205 0.249 0.044 6 0 no 0.244 0 0
1 49 ARG QB 263 no 100.0 100.0 0.006 0.006 0.000 2 1 no 0.110 0 0
1 49 ARG QD 131 no 10.0 72.9 0.017 0.023 0.006 6 5 no 0.110 0 0
1 49 ARG QG 50 no 45.0 26.7 0.001 0.002 0.002 9 6 no 0.070 0 0
1 50 PRO QB 80 no 100.0 100.0 1.256 1.256 0.000 7 0 no 0.046 0 0
1 50 PRO QD 123 no 100.0 100.0 1.931 1.931 0.000 6 2 no 0.000 0 0
1 50 PRO QG 122 no 100.0 99.2 2.719 2.742 0.022 6 2 no 0.224 0 0
1 52 SER QB 216 no 100.0 99.0 3.783 3.823 0.040 3 0 no 0.279 0 0
1 53 ILE QG 41 no 100.0 99.8 4.709 4.720 0.011 9 2 no 0.111 0 0
1 54 SER QB 128 no 100.0 99.9 2.847 2.851 0.004 6 4 no 0.102 0 0
1 55 TRP QB 29 no 95.0 82.2 0.065 0.079 0.014 11 2 no 0.208 0 0
1 56 ASP QB 215 no 90.0 96.9 0.261 0.269 0.008 3 0 no 0.250 0 0
1 57 GLY QA 214 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 58 LEU QB 32 no 100.0 91.8 0.387 0.421 0.034 10 2 no 0.181 0 0
1 58 LEU QD 2 no 100.0 99.9 2.832 2.835 0.003 16 9 no 0.072 0 0
1 59 ASP QB 87 no 100.0 96.9 2.313 2.386 0.073 7 2 no 0.223 0 0
1 61 GLY QA 147 no 100.0 98.8 1.032 1.045 0.012 5 1 no 0.174 0 0
1 62 LYS QB 72 no 100.0 99.5 0.711 0.715 0.004 8 4 no 0.183 0 0
1 62 LYS QD 290 no 35.0 100.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 62 LYS QE 236 no 100.0 99.4 0.983 0.989 0.006 3 3 no 0.137 0 0
1 62 LYS QG 102 no 100.0 96.8 0.834 0.861 0.027 7 5 no 0.283 0 0
1 63 LEU QB 26 no 100.0 99.9 0.952 0.953 0.001 11 1 no 0.074 0 0
1 63 LEU QD 99 no 100.0 99.9 8.871 8.879 0.008 7 4 no 0.170 0 0
1 64 TYR QB 65 no 100.0 97.8 0.016 0.016 0.000 8 2 no 0.083 0 0
1 64 TYR QE 213 no 75.0 80.9 3.479 4.302 0.823 3 0 yes 1.788 6 13
1 66 LEU QB 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 66 LEU QD 93 no 100.0 100.0 6.716 6.716 0.000 7 3 no 0.000 0 0
1 67 VAL QG 57 no 100.0 100.0 9.922 9.924 0.002 8 1 no 0.098 0 0
1 68 LEU QB 160 no 100.0 99.0 0.110 0.111 0.001 5 3 no 0.065 0 0
1 68 LEU QD 5 no 100.0 99.9 6.630 6.636 0.006 15 11 no 0.178 0 0
1 70 ASP QB 175 no 95.0 99.8 0.729 0.731 0.002 4 0 no 0.103 0 0
1 71 PRO QB 262 no 70.0 100.0 0.019 0.019 0.000 2 1 no 0.000 0 0
1 71 PRO QD 47 no 95.0 73.1 0.040 0.055 0.015 9 5 no 0.226 0 0
1 71 PRO QG 92 no 100.0 89.2 0.520 0.583 0.063 7 3 no 0.215 0 0
1 72 ASP QB 174 no 95.0 99.8 1.415 1.418 0.003 4 0 no 0.118 0 0
1 74 PRO QB 101 no 100.0 100.0 1.610 1.610 0.000 7 5 no 0.000 0 0
1 74 PRO QD 1 no 100.0 97.8 0.793 0.811 0.017 17 12 no 0.139 0 0
1 74 PRO QG 25 no 100.0 99.1 0.042 0.042 0.000 12 10 no 0.185 0 0
1 75 SER QB 9 no 100.0 99.9 1.687 1.689 0.002 13 3 no 0.087 0 0
1 76 ARG QB 250 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 ARG QD 270 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 76 ARG QG 232 no 40.0 91.5 0.100 0.110 0.009 3 2 no 0.264 0 0
1 77 LYS QB 261 no 50.0 73.9 0.020 0.027 0.007 2 1 no 0.130 0 0
1 77 LYS QD 269 no 45.0 100.0 1.014 1.015 0.000 2 2 no 0.062 0 0
1 77 LYS QE 260 no 100.0 99.6 3.400 3.414 0.014 2 1 no 0.217 0 0
1 77 LYS QG 268 no 65.0 99.8 1.379 1.383 0.003 2 2 no 0.112 0 0
1 78 ASP QB 121 no 100.0 77.8 0.025 0.032 0.007 6 2 no 0.112 0 0
1 79 PRO QB 140 no 100.0 98.2 0.013 0.013 0.000 5 0 no 0.246 0 0
1 79 PRO QD 86 no 100.0 97.8 0.083 0.085 0.002 7 2 no 0.080 0 0
1 79 PRO QG 267 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 80 LYS QB 23 no 100.0 97.3 1.375 1.414 0.039 12 8 no 0.193 0 0
1 80 LYS QD 231 no 100.0 95.1 0.406 0.426 0.021 3 2 no 0.171 0 0
1 80 LYS QE 132 no 100.0 99.9 6.101 6.106 0.005 6 6 no 0.083 0 0
1 80 LYS QG 24 no 100.0 97.3 1.440 1.480 0.040 12 10 no 0.188 0 0
1 81 TYR QB 108 no 100.0 100.0 0.017 0.017 0.000 6 0 no 0.000 0 0
1 82 ARG QB 111 no 100.0 99.9 0.221 0.221 0.000 6 1 no 0.039 0 0
1 82 ARG QD 235 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 82 ARG QG 230 no 90.0 21.3 0.000 0.001 0.000 3 2 no 0.050 0 0
1 83 GLU QB 249 no 90.0 97.1 0.021 0.022 0.001 2 0 no 0.083 0 0
1 83 GLU QG 223 no 30.0 92.9 0.407 0.438 0.031 3 1 no 0.408 0 0
1 84 TRP QB 146 no 95.0 100.0 0.077 0.077 0.000 5 1 no 0.000 0 0
1 85 HIS QB 173 no 65.0 87.0 0.104 0.120 0.016 4 0 no 0.165 0 0
1 86 HIS QB 98 no 40.0 37.1 0.000 0.001 0.001 7 4 no 0.080 0 0
1 87 PHE QB 107 no 85.0 80.8 0.006 0.007 0.001 6 0 no 0.120 0 0
1 88 LEU QB 11 no 100.0 99.0 0.289 0.292 0.003 13 4 no 0.095 0 0
1 88 LEU QD 52 no 100.0 100.0 10.213 10.213 0.000 9 7 no 0.000 0 0
1 89 VAL QG 21 no 100.0 100.0 7.370 7.371 0.000 12 6 no 0.063 0 0
1 90 VAL QG 64 no 100.0 100.0 14.023 14.028 0.005 8 2 no 0.148 0 0
1 91 ASN QB 43 no 100.0 97.3 0.513 0.528 0.014 9 3 no 0.170 0 0
1 92 MET QB 8 no 85.0 93.5 0.019 0.021 0.001 14 7 no 0.068 0 0
1 92 MET QG 222 no 100.0 94.6 0.343 0.362 0.020 3 1 no 0.183 0 0
1 93 LYS QB 154 no 10.0 32.1 0.007 0.021 0.015 5 2 no 0.142 0 0
1 93 LYS QE 197 no 100.0 99.7 0.802 0.804 0.002 4 3 no 0.142 0 0
1 93 LYS QG 283 no 90.0 99.8 1.436 1.439 0.003 1 0 no 0.135 0 0
1 94 GLY QA 63 no 100.0 88.0 0.062 0.070 0.008 8 2 no 0.151 0 0
1 95 ASN QB 22 no 100.0 99.5 1.144 1.149 0.005 12 7 no 0.111 0 0
1 96 ASP QB 172 no 100.0 77.5 0.043 0.056 0.013 4 0 no 0.117 0 0
1 97 ILE QG 79 no 100.0 100.0 3.685 3.686 0.001 7 0 no 0.043 0 0
1 98 SER QB 248 no 100.0 100.0 1.532 1.532 0.000 2 0 no 0.062 0 0
1 99 SER QB 212 no 100.0 97.7 0.370 0.379 0.009 3 0 no 0.108 0 0
1 100 GLY QA 3 no 85.0 14.3 0.001 0.006 0.005 15 8 no 0.108 0 0
1 102 VAL QG 54 no 100.0 100.0 7.545 7.545 0.000 8 0 no 0.000 0 0
1 103 LEU QB 70 no 40.0 100.0 0.017 0.017 0.000 8 3 no 0.000 0 0
1 103 LEU QD 17 no 100.0 100.0 3.903 3.903 0.000 13 10 no 0.019 0 0
1 104 SER QB 30 no 85.0 100.0 0.242 0.242 0.000 11 5 no 0.026 0 0
1 105 ASP QB 28 no 100.0 96.9 1.414 1.459 0.045 11 2 no 0.244 0 0
1 106 TYR QB 120 no 90.0 99.4 0.165 0.166 0.001 6 2 no 0.070 0 0
1 107 VAL QG 20 no 100.0 99.7 8.377 8.399 0.022 12 5 no 0.260 0 0
1 108 GLY QA 171 no 100.0 100.0 0.003 0.003 0.000 4 0 no 0.148 0 0
1 109 SER QB 35 no 100.0 99.7 4.787 4.804 0.016 10 4 no 0.153 0 0
1 110 GLY QA 229 no 100.0 100.0 1.648 1.648 0.000 3 2 no 0.000 0 0
1 112 PRO QB 119 no 100.0 99.5 0.276 0.277 0.001 6 2 no 0.045 0 0
1 112 PRO QD 202 no 100.0 80.5 0.005 0.007 0.001 4 4 no 0.045 0 0
1 112 PRO QG 228 no 100.0 100.0 0.674 0.674 0.000 3 2 no 0.000 0 0
1 113 LYS QB 4 no 100.0 94.1 1.251 1.330 0.079 15 10 no 0.241 0 0
1 113 LYS QD 91 no 100.0 97.4 0.884 0.908 0.024 7 3 no 0.287 0 0
1 113 LYS QE 53 no 100.0 92.1 1.202 1.305 0.103 9 8 no 0.258 0 0
1 113 LYS QG 51 no 100.0 80.7 0.442 0.547 0.106 9 7 no 0.258 0 0
1 114 GLY QA 211 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 116 GLY QA 139 no 25.0 31.5 0.006 0.018 0.012 5 0 no 0.366 0 0
1 117 LEU QB 56 no 100.0 99.1 1.720 1.735 0.015 8 1 no 0.161 0 0
1 117 LEU QD 185 no 100.0 99.8 5.926 5.940 0.014 4 1 no 0.161 0 0
1 118 HIS QB 282 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 119 ARG QB 81 no 95.0 93.3 0.507 0.543 0.037 7 1 no 0.348 0 0
1 119 ARG QD 75 no 70.0 94.8 0.092 0.097 0.005 8 5 no 0.261 0 0
1 120 TYR QB 90 no 90.0 100.0 0.087 0.087 0.000 7 3 no 0.023 0 0
1 121 VAL QG 37 no 100.0 100.0 2.546 2.546 0.000 10 5 no 0.002 0 0
1 122 TRP QB 85 no 60.0 89.9 0.209 0.232 0.023 7 2 no 0.283 0 0
1 123 LEU QB 247 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 123 LEU QD 97 no 100.0 100.0 17.194 17.198 0.004 7 4 no 0.130 0 0
1 124 VAL QG 7 no 100.0 100.0 13.996 14.002 0.006 14 5 no 0.176 0 0
1 125 TYR QB 184 no 10.0 64.5 0.011 0.017 0.006 4 1 no 0.197 0 0
1 126 GLU QB 281 no 65.0 100.0 0.070 0.070 0.000 1 0 no 0.015 0 0
1 127 GLN QB 34 no 65.0 87.0 0.033 0.037 0.005 10 3 no 0.112 0 0
1 127 GLN QE 153 no 100.0 99.7 3.555 3.565 0.009 5 2 no 0.200 0 0
1 127 GLN QG 266 no 35.0 64.4 0.002 0.003 0.001 2 2 no 0.190 0 0
1 128 ASP QB 138 no 50.0 46.2 0.060 0.130 0.070 5 0 no 0.307 0 0
1 129 ARG QB 100 no 70.0 21.6 0.011 0.050 0.039 7 5 no 0.413 0 0
1 129 ARG QD 289 no 55.0 67.4 0.030 0.045 0.015 1 1 no 0.413 0 0
1 129 ARG QG 280 no 25.0 100.0 0.150 0.150 0.000 1 0 no 0.019 0 0
1 130 PRO QB 118 no 100.0 97.2 1.096 1.127 0.031 6 2 no 0.346 0 0
1 130 PRO QD 39 no 100.0 92.6 0.723 0.782 0.058 10 7 no 0.273 0 0
1 130 PRO QG 191 no 70.0 3.2 0.000 0.007 0.007 4 2 no 0.159 0 0
1 131 LEU QB 62 no 100.0 98.8 1.118 1.132 0.014 8 2 no 0.139 0 0
1 131 LEU QD 10 no 100.0 99.9 7.385 7.389 0.004 13 4 no 0.190 0 0
1 132 LYS QB 259 no 100.0 96.6 0.761 0.788 0.027 2 1 no 0.256 0 0
1 132 LYS QD 279 no 100.0 99.9 1.498 1.501 0.002 1 0 no 0.190 0 0
1 132 LYS QG 258 no 100.0 99.5 1.118 1.123 0.005 2 1 no 0.198 0 0
1 133 CYS QB 46 no 90.0 87.6 0.055 0.063 0.008 9 4 no 0.104 0 0
1 134 ASP QB 170 no 30.0 75.1 0.057 0.076 0.019 4 0 no 0.373 0 0
1 135 GLU QB 165 no 100.0 100.0 2.753 2.753 0.000 5 4 no 0.000 0 0
1 135 GLU QG 159 no 100.0 100.0 0.104 0.104 0.000 5 3 no 0.000 0 0
1 136 PRO QB 246 no 100.0 81.2 0.167 0.205 0.039 2 0 no 0.205 0 0
1 136 PRO QD 126 no 100.0 94.8 0.254 0.267 0.014 6 3 no 0.156 0 0
1 136 PRO QG 196 no 100.0 99.9 0.926 0.926 0.001 4 3 no 0.042 0 0
1 137 ILE QG 169 no 100.0 99.7 1.108 1.112 0.004 4 0 no 0.102 0 0
1 138 LEU QB 168 no 100.0 99.2 1.769 1.784 0.015 4 0 no 0.218 0 0
1 138 LEU QD 158 no 100.0 100.0 5.732 5.734 0.002 5 3 no 0.110 0 0
1 139 SER QB 117 no 100.0 89.5 0.311 0.347 0.037 6 2 no 0.336 0 0
1 140 ASN QB 45 no 95.0 98.6 0.879 0.891 0.012 9 4 no 0.197 0 0
1 140 ASN QD 227 no 100.0 99.5 2.557 2.569 0.012 3 2 no 0.260 0 0
1 141 ARG QB 31 no 100.0 92.8 0.395 0.425 0.030 11 7 no 0.250 0 0
1 141 ARG QD 105 no 100.0 99.2 3.695 3.724 0.030 7 6 no 0.371 0 0
1 141 ARG QG 190 no 85.0 89.9 0.253 0.281 0.028 4 2 no 0.371 0 0
1 142 SER QB 210 no 100.0 96.6 0.410 0.424 0.014 3 0 no 0.156 0 0
1 143 GLY QA 84 no 100.0 94.7 0.431 0.455 0.024 7 2 no 0.273 0 0
1 144 ASP QB 137 no 100.0 96.8 1.030 1.064 0.034 5 0 no 0.227 0 0
1 145 HIS QB 116 no 100.0 94.4 0.058 0.061 0.003 6 2 no 0.110 0 0
1 146 ARG QB 71 no 90.0 90.3 0.004 0.005 0.000 8 4 no 0.113 0 0
1 146 ARG QD 234 no 95.0 42.2 0.000 0.000 0.000 3 3 no 0.021 0 0
1 146 ARG QG 164 no 55.0 99.8 0.311 0.311 0.001 5 4 no 0.070 0 0
1 147 GLY QA 55 no 60.0 98.4 0.062 0.063 0.001 8 1 no 0.136 0 0
1 148 LYS QB 183 no 100.0 98.5 0.869 0.882 0.013 4 1 no 0.184 0 0
1 148 LYS QD 278 no 100.0 98.7 0.846 0.857 0.011 1 0 no 0.248 0 0
1 148 LYS QE 245 no 80.0 99.4 0.333 0.335 0.002 2 0 no 0.127 0 0
1 148 LYS QG 110 no 100.0 90.2 0.137 0.152 0.015 6 1 no 0.187 0 0
1 149 PHE QB 136 no 95.0 74.1 0.028 0.038 0.010 5 0 no 0.148 0 0
1 150 LYS QB 182 no 100.0 99.3 1.499 1.510 0.011 4 1 no 0.121 0 0
1 150 LYS QD 277 no 100.0 100.0 0.339 0.339 0.000 1 0 no 0.000 0 0
1 150 LYS QE 244 no 85.0 98.6 0.875 0.887 0.012 2 0 no 0.225 0 0
1 150 LYS QG 276 no 100.0 97.9 0.766 0.782 0.016 1 0 no 0.256 0 0
1 151 VAL QG 69 no 100.0 99.9 3.564 3.568 0.004 8 3 no 0.248 0 0
1 153 SER QB 181 no 100.0 99.9 2.930 2.933 0.003 4 1 no 0.121 0 0
1 154 PHE QB 83 no 100.0 99.9 3.686 3.691 0.004 7 2 no 0.163 0 0
1 155 ARG QB 257 no 85.0 99.7 1.613 1.618 0.004 2 1 no 0.163 0 0
1 155 ARG QD 275 no 65.0 99.1 0.494 0.499 0.005 1 0 no 0.208 0 0
1 155 ARG QG 243 no 25.0 100.0 0.006 0.006 0.000 2 0 no 0.000 0 0
1 156 LYS QB 209 no 100.0 98.5 1.694 1.720 0.026 3 0 no 0.172 0 0
1 156 LYS QE 180 no 100.0 95.5 0.657 0.688 0.031 4 1 no 0.255 0 0
1 156 LYS QG 221 no 75.0 26.6 0.011 0.042 0.031 3 1 no 0.255 0 0
1 157 LYS QB 61 no 100.0 99.1 0.923 0.932 0.008 8 2 no 0.156 0 0
1 157 LYS QD 163 no 100.0 99.1 2.823 2.848 0.025 5 4 no 0.250 0 0
1 157 LYS QE 201 no 40.0 100.0 0.046 0.046 0.000 4 4 no 0.000 0 0
1 157 LYS QG 38 no 100.0 99.4 3.282 3.304 0.021 10 6 no 0.174 0 0
1 158 TYR QB 115 no 90.0 100.0 0.597 0.597 0.000 6 2 no 0.034 0 0
1 159 GLU QB 208 no 100.0 95.6 0.166 0.174 0.008 3 0 no 0.203 0 0
1 159 GLU QG 274 no 40.0 100.0 0.008 0.008 0.000 1 0 no 0.000 0 0
1 160 LEU QD 60 no 100.0 99.9 11.282 11.289 0.007 8 2 no 0.197 0 0
1 161 ARG QB 179 no 100.0 98.7 1.963 1.988 0.026 4 1 no 0.324 0 0
1 161 ARG QD 125 no 100.0 98.6 0.615 0.624 0.009 6 3 no 0.206 0 0
1 161 ARG QG 226 no 100.0 99.8 0.658 0.660 0.002 3 2 no 0.155 0 0
1 163 PRO QB 152 no 100.0 97.7 1.081 1.107 0.026 5 2 no 0.168 0 0
1 163 PRO QD 89 no 100.0 98.1 1.056 1.077 0.021 7 3 no 0.168 0 0
1 163 PRO QG 157 no 100.0 95.7 1.736 1.815 0.078 5 3 no 0.250 0 0
1 164 VAL QG 40 no 100.0 99.9 10.685 10.697 0.011 9 1 no 0.310 0 0
1 166 GLY QA 12 no 100.0 99.9 2.028 2.030 0.002 13 6 no 0.080 0 0
1 168 CYS QB 16 no 100.0 99.7 0.852 0.855 0.003 13 8 no 0.122 0 0
1 169 TYR QB 124 no 70.0 100.0 0.007 0.007 0.000 6 3 no 0.000 0 0
1 170 GLN QB 106 no 40.0 98.9 0.115 0.116 0.001 6 0 no 0.145 0 0
1 170 GLN QE 242 no 95.0 99.3 1.858 1.871 0.013 2 0 no 0.211 0 0
1 170 GLN QG 273 no 65.0 90.8 0.215 0.236 0.022 1 0 no 0.233 0 0
1 172 GLU QB 241 no 95.0 90.2 0.002 0.002 0.000 2 0 no 0.101 0 0
1 172 GLU QG 240 no 40.0 98.6 0.107 0.109 0.002 2 0 no 0.080 0 0
1 173 TRP QB 114 no 100.0 99.5 1.155 1.161 0.005 6 2 no 0.145 0 0
1 174 ASP QB 207 no 80.0 99.9 1.195 1.195 0.001 3 0 no 0.059 0 0
1 175 ASP QB 167 no 100.0 33.9 0.035 0.103 0.068 4 0 no 0.240 0 0
1 176 TYR QB 206 no 90.0 93.2 0.070 0.076 0.005 3 0 no 0.292 0 0
1 177 VAL QG 82 no 95.0 62.9 0.091 0.144 0.054 7 2 no 0.407 0 0
1 178 PRO QB 239 no 100.0 97.8 0.013 0.013 0.000 2 0 no 0.023 0 0
1 178 PRO QD 42 no 100.0 99.6 0.241 0.242 0.001 9 3 no 0.040 0 0
1 178 PRO QG 151 no 100.0 99.5 1.903 1.913 0.010 5 2 no 0.252 0 0
1 179 LYS QB 205 no 100.0 98.1 1.820 1.855 0.035 3 0 no 0.199 0 0
1 179 LYS QD 256 no 85.0 99.9 2.656 2.659 0.003 2 1 no 0.137 0 0
1 179 LYS QG 204 no 100.0 96.7 0.937 0.968 0.032 3 0 no 0.311 0 0
1 180 LEU QB 27 no 100.0 66.0 0.005 0.007 0.002 11 2 no 0.115 0 0
1 180 LEU QD 127 no 100.0 100.0 5.788 5.788 0.000 6 4 no 0.057 0 0
1 181 TYR QB 135 no 95.0 99.9 0.267 0.267 0.000 5 0 no 0.045 0 0
1 182 GLU QB 145 no 100.0 28.3 0.053 0.186 0.134 5 1 no 0.331 0 0
1 182 GLU QG 189 no 100.0 98.6 0.435 0.441 0.006 4 2 no 0.237 0 0
1 183 GLN QB 272 no 100.0 100.0 0.542 0.542 0.000 1 0 no 0.000 0 0
1 183 GLN QE 288 no 85.0 100.0 0.157 0.157 0.000 1 1 no 0.000 0 0
1 183 GLN QG 144 no 100.0 99.6 5.110 5.132 0.022 5 1 no 0.206 0 0
1 184 LEU QB 59 no 100.0 97.3 1.589 1.634 0.045 8 2 no 0.273 0 0
1 184 LEU QD 220 no 100.0 100.0 5.802 5.803 0.001 3 1 no 0.058 0 0
1 185 SER QB 195 no 100.0 99.6 3.390 3.402 0.012 4 3 no 0.186 0 0
1 186 GLY QA 130 no 100.0 97.7 1.233 1.262 0.029 6 5 no 0.250 0 0
1 187 LYS QB 178 no 100.0 96.9 1.242 1.282 0.040 4 1 no 0.183 0 0
1 187 LYS QD 255 no 70.0 99.1 0.769 0.776 0.007 2 1 no 0.186 0 0
1 187 LYS QE 287 no 80.0 99.3 0.324 0.326 0.002 1 1 no 0.092 0 0
1 187 LYS QG 265 no 95.0 95.0 0.189 0.199 0.010 2 2 no 0.144 0 0
stop_
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 3:14:13 PM GMT (wattos1)