NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
639492 |
6q6e   |
34336 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6q6e
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 310
_Stereo_assign_list.Swap_count 4
_Stereo_assign_list.Swap_percentage 1.3
_Stereo_assign_list.Deassign_count 29
_Stereo_assign_list.Deassign_percentage 9.4
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 25.726
_Stereo_assign_list.Total_e_high_states 86.638
_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 4 ARG QB 138 no 70.0 58.4 0.074 0.127 0.053 4 0 no 0.424 0 0
1 4 ARG QD 251 yes 100.0 86.4 0.124 0.144 0.020 2 1 no 0.314 0 0
1 4 ARG QG 250 no 100.0 95.4 0.091 0.095 0.004 2 1 no 0.314 0 0
1 6 VAL QG 96 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 8 PRO QB 62 no 30.0 100.0 0.001 0.001 0.000 7 3 no 0.000 0 0
1 8 PRO QD 26 no 80.0 100.0 0.086 0.086 0.000 11 6 no 0.011 0 0
1 8 PRO QG 113 no 100.0 0.0 0.000 0.000 0.000 5 5 no 0.000 0 0
1 9 MET QB 186 no 60.0 87.1 0.160 0.183 0.024 3 0 no 0.485 0 0
1 10 LYS QB 308 no 60.0 35.2 0.036 0.103 0.067 1 0 no 0.416 0 0
1 10 LYS QD 185 no 40.0 2.5 0.009 0.358 0.349 3 0 yes 1.244 1 3
1 10 LYS QE 249 no 60.0 33.1 0.268 0.811 0.543 2 1 no 0.813 0 6
1 10 LYS QG 193 no 60.0 9.5 0.110 1.165 1.055 3 1 yes 1.221 4 13
1 11 ARG QB 145 no 50.0 89.3 0.112 0.125 0.013 4 1 no 0.237 0 0
1 11 ARG QD 248 no 90.0 76.6 0.003 0.004 0.001 2 1 no 0.126 0 0
1 11 ARG QG 184 no 80.0 35.7 0.006 0.017 0.011 3 0 no 0.323 0 0
1 12 VAL QG 40 no 40.0 96.2 0.005 0.005 0.000 8 1 no 0.045 0 0
1 13 PRO QD 36 no 60.0 84.7 0.074 0.088 0.013 9 3 no 0.294 0 0
1 13 PRO QG 255 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 14 ILE QG 28 no 100.0 31.2 0.000 0.000 0.000 10 0 no 0.013 0 0
1 15 LEU QD 95 no 30.0 29.4 0.000 0.000 0.000 5 0 no 0.048 0 0
1 17 ASN QB 87 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 17 ASN QD 25 no 80.0 99.6 0.353 0.355 0.002 11 4 no 0.083 0 0
1 18 PHE QB 43 no 100.0 0.0 0.000 0.001 0.001 8 2 no 0.073 0 0
1 19 GLU QB 239 no 90.0 98.7 0.000 0.000 0.000 2 0 no 0.027 0 0
1 19 GLU QG 55 no 100.0 100.0 0.004 0.004 0.000 7 0 no 0.151 0 0
1 20 GLU QB 238 no 100.0 100.0 0.005 0.005 0.000 2 0 no 0.134 0 0
1 20 GLU QG 137 no 40.0 93.5 0.580 0.620 0.040 4 0 no 0.523 0 1
1 21 TRP QB 56 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 22 MET QB 192 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 23 LYS QB 237 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 LYS QD 307 no 10.0 100.0 0.001 0.001 0.000 1 0 no 0.000 0 0
1 23 LYS QG 306 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 24 MET QB 305 no 100.0 100.0 0.009 0.009 0.000 1 0 no 0.304 0 0
1 27 ASP QB 108 no 10.0 100.0 0.001 0.001 0.000 5 2 no 0.000 0 0
1 28 ASN QB 49 no 70.0 100.0 0.023 0.023 0.000 8 4 no 0.000 0 0
1 28 ASN QD 86 no 100.0 99.6 0.140 0.140 0.001 6 4 no 0.070 0 0
1 29 LYS QB 236 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 29 LYS QD 304 no 20.0 75.5 0.006 0.007 0.002 1 0 no 0.098 0 0
1 29 LYS QG 183 no 40.0 31.6 0.007 0.023 0.016 3 0 no 0.387 0 0
1 30 ILE QG 14 no 100.0 99.1 1.164 1.174 0.010 14 0 no 0.177 0 0
1 31 ASN QB 20 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 31 ASN QD 18 no 90.0 98.4 0.072 0.073 0.001 13 4 no 0.079 0 0
1 34 ASN QB 85 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 34 ASN QD 31 no 100.0 0.0 0.000 0.015 0.015 10 4 no 0.205 0 0
1 35 SER QB 94 no 10.0 100.0 0.004 0.004 0.000 5 0 no 0.000 0 0
1 36 TRP QB 34 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 37 ASN QB 30 no 70.0 100.0 0.001 0.001 0.000 10 4 no 0.000 0 0
1 37 ASN QD 48 no 20.0 78.0 0.014 0.018 0.004 8 4 no 0.198 0 0
1 38 PHE QB 136 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 40 LEU QB 254 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 40 LEU QD 9 no 60.0 9.0 0.635 7.032 6.397 19 2 yes 2.546 15 16
1 42 ASP QB 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 44 PHE QB 303 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 45 HIS QB 134 no 10.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 47 MET QB 302 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 47 MET QG 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 49 LEU QB 191 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 49 LEU QD 5 no 70.0 26.8 0.008 0.029 0.021 25 3 no 0.312 0 0
1 50 LEU QB 182 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 50 LEU QD 235 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 51 LYS QB 61 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.000 0 0
1 51 LYS QD 35 no 30.0 64.1 0.035 0.054 0.019 9 2 no 0.353 0 0
1 51 LYS QG 234 no 100.0 100.0 0.001 0.001 0.000 2 0 no 0.089 0 0
1 52 GLU QB 144 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 52 GLU QG 181 no 20.0 81.0 0.008 0.010 0.002 3 0 no 0.109 0 0
1 53 GLY QA 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 54 ASP QB 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 55 SER QB 73 no 60.0 83.3 0.237 0.284 0.047 6 0 no 0.672 0 1
1 56 VAL QG 3 no 90.0 76.9 2.004 2.608 0.603 35 9 yes 1.921 1 1
1 57 ASN QB 63 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 57 ASN QD 154 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 58 PHE QB 54 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 59 GLN QB 47 no 100.0 100.0 0.314 0.314 0.000 8 4 no 0.000 0 0
1 59 GLN QE 19 no 100.0 92.4 0.919 0.994 0.075 12 4 no 0.514 0 1
1 59 GLN QG 83 no 70.0 56.9 0.096 0.169 0.073 6 3 no 0.514 0 1
1 60 LYS QB 72 no 0.0 0.0 0.000 0.008 0.008 6 0 no 0.131 0 0
1 60 LYS QD 247 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 60 LYS QG 143 no 60.0 20.5 0.101 0.492 0.391 4 1 no 0.000 0 0
1 63 CYS QB 180 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 65 LEU QB 233 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 LEU QD 130 no 30.0 100.0 0.002 0.002 0.000 4 0 no 0.000 0 0
1 66 ASP QB 39 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 67 GLY QA 71 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 68 CYS QB 232 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 69 VAL QG 10 no 90.0 93.5 1.387 1.482 0.096 18 1 no 0.673 0 2
1 70 LYS QB 301 no 30.0 100.0 0.140 0.140 0.000 1 0 no 0.000 0 0
1 70 LYS QG 300 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 72 TYR QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 74 SER QB 231 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 ARG QB 299 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 76 VAL QG 4 no 80.0 85.4 0.087 0.102 0.015 29 5 no 0.534 0 1
1 77 ASP QB 70 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 78 SER QB 179 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 79 VAL QG 2 no 60.0 32.3 0.350 1.082 0.732 40 9 yes 1.550 2 8
1 82 GLU QB 230 no 20.0 99.6 0.026 0.026 0.000 2 0 no 0.031 0 0
1 82 GLU QG 298 no 100.0 96.3 0.003 0.003 0.000 1 0 no 0.105 0 0
1 84 GLY QA 93 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 85 LYS QB 229 no 100.0 100.0 0.265 0.265 0.000 2 0 no 0.000 0 0
1 85 LYS QD 297 no 30.0 100.0 0.002 0.002 0.000 1 0 no 0.000 0 0
1 85 LYS QE 228 no 50.0 41.1 0.129 0.315 0.185 2 0 yes 1.042 1 5
1 85 LYS QG 227 no 90.0 90.9 0.015 0.017 0.002 2 0 no 0.407 0 0
1 86 LEU QB 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 LEU QD 178 no 100.0 100.0 0.001 0.001 0.000 3 0 no 0.105 0 0
1 87 LEU QB 225 no 60.0 100.0 0.148 0.148 0.000 2 0 no 0.000 0 0
1 87 LEU QD 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 SER QB 92 no 80.0 33.0 0.023 0.069 0.046 5 0 no 0.477 0 0
1 89 GLY QA 69 no 10.0 100.0 0.003 0.003 0.000 6 0 no 0.000 0 0
1 90 LEU QB 68 no 70.0 82.7 0.053 0.064 0.011 6 0 no 0.328 0 0
1 90 LEU QD 128 no 50.0 46.6 0.259 0.555 0.296 4 0 yes 1.096 1 3
1 92 ASP QB 177 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 93 SER QB 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 94 ARG QB 296 no 20.0 68.8 0.013 0.019 0.006 1 0 no 0.244 0 0
1 95 ASP QB 91 no 80.0 50.1 0.024 0.048 0.024 5 0 no 0.359 0 0
1 96 SER QB 176 no 90.0 84.8 0.093 0.110 0.017 3 0 no 0.284 0 0
1 97 LYS QB 295 no 80.0 82.3 0.225 0.274 0.048 1 0 no 0.696 0 1
1 97 LYS QD 294 no 10.0 100.0 0.009 0.009 0.000 1 0 no 0.000 0 0
1 97 LYS QG 293 no 10.0 56.3 0.001 0.002 0.001 1 0 no 0.100 0 0
1 98 LYS QB 292 no 40.0 70.0 0.161 0.231 0.069 1 0 no 0.652 0 2
1 99 LYS QB 291 no 60.0 34.7 0.140 0.404 0.264 1 0 yes 0.872 0 6
1 99 LYS QD 290 no 50.0 22.6 0.016 0.071 0.055 1 0 no 0.469 0 0
1 99 LYS QG 289 no 30.0 55.5 0.025 0.044 0.020 1 0 no 0.427 0 0
1 100 ASP QB 223 no 60.0 100.0 0.162 0.162 0.000 2 0 no 0.000 0 0
1 101 ARG QB 175 yes 80.0 75.0 0.139 0.185 0.046 3 0 no 0.489 0 0
1 101 ARG QD 310 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 101 ARG QG 174 no 70.0 50.7 0.112 0.221 0.109 3 0 yes 0.716 0 5
1 102 GLU QB 90 no 100.0 100.0 0.000 0.000 0.000 5 0 no 0.006 0 0
1 102 GLU QG 173 no 10.0 79.0 0.010 0.013 0.003 3 0 no 0.164 0 0
1 103 ASP QB 172 no 40.0 99.9 0.043 0.043 0.000 3 0 no 0.024 0 0
1 104 GLY QA 153 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 105 GLY QA 253 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 106 GLY QA 252 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 108 GLY QA 288 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 109 GLY QA 171 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 110 SER QB 170 no 40.0 1.8 0.001 0.078 0.076 3 0 no 0.429 0 0
1 111 LEU QB 169 no 80.0 75.1 0.061 0.081 0.020 3 0 no 0.331 0 0
1 111 LEU QD 126 no 10.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 112 ARG QB 190 no 60.0 29.3 0.128 0.438 0.310 3 1 no 0.943 0 4
1 112 ARG QD 246 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 112 ARG QG 287 no 70.0 71.6 0.274 0.383 0.109 1 0 yes 1.144 2 5
1 113 LYS QB 286 no 70.0 57.1 0.111 0.194 0.083 1 0 no 0.546 0 2
1 113 LYS QD 285 no 30.0 73.0 0.022 0.031 0.008 1 0 no 0.247 0 0
1 113 LYS QE 284 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.041 0 0
1 113 LYS QG 245 no 30.0 23.8 0.014 0.061 0.046 2 1 no 0.463 0 0
1 114 LYS QB 142 no 90.0 94.9 0.779 0.821 0.042 4 1 no 0.535 0 1
1 114 LYS QD 244 no 50.0 99.2 0.356 0.359 0.003 2 1 no 0.157 0 0
1 114 LYS QE 283 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 114 LYS QG 222 no 90.0 99.5 0.306 0.308 0.001 2 0 no 0.115 0 0
1 115 ILE QG 13 no 80.0 74.6 0.253 0.339 0.086 15 1 no 0.653 0 2
1 116 ASN QB 46 no 100.0 99.7 0.977 0.980 0.003 8 3 no 0.056 0 0
1 116 ASN QD 107 no 60.0 100.0 0.072 0.072 0.000 5 2 no 0.000 0 0
1 117 PRO QB 141 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 117 PRO QD 106 no 90.0 100.0 0.053 0.053 0.000 5 2 no 0.000 0 0
1 117 PRO QG 140 no 100.0 99.9 0.304 0.304 0.000 4 1 no 0.040 0 0
1 118 LYS QB 111 no 80.0 79.7 0.427 0.535 0.109 5 3 no 0.718 0 2
1 118 LYS QD 196 no 90.0 96.5 0.062 0.065 0.002 3 2 no 0.555 0 1
1 118 LYS QE 282 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 118 LYS QG 195 no 50.0 100.0 0.170 0.170 0.000 3 2 no 0.015 0 0
1 119 VAL QG 8 no 90.0 96.3 3.728 3.871 0.143 20 2 yes 1.167 1 1
1 120 MET QB 24 no 90.0 88.2 0.521 0.591 0.070 11 4 no 0.477 0 0
1 120 MET QG 33 no 90.0 97.9 0.020 0.021 0.000 9 0 no 0.437 0 0
1 121 ASN QB 60 no 90.0 67.7 0.894 1.320 0.427 7 3 yes 1.933 1 2
1 121 ASN QD 11 no 100.0 87.4 0.708 0.811 0.102 18 12 no 0.555 0 2
1 123 ILE QG 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 124 ASP QB 105 no 10.0 100.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 125 SER QB 189 no 50.0 81.0 0.030 0.037 0.007 3 1 no 0.265 0 0
1 126 VAL QG 7 no 60.0 71.3 0.403 0.565 0.162 22 3 no 0.728 0 2
1 127 GLU QB 45 no 90.0 100.0 0.067 0.067 0.000 8 3 no 0.000 0 0
1 127 GLU QG 16 no 100.0 99.9 0.128 0.128 0.000 14 5 no 0.036 0 0
1 128 LYS QB 243 no 80.0 70.8 0.050 0.070 0.020 2 1 no 0.325 0 0
1 128 LYS QD 194 no 60.0 65.0 0.068 0.104 0.036 3 2 no 0.766 0 2
1 128 LYS QG 152 no 60.0 49.8 0.092 0.185 0.093 4 2 no 0.766 0 2
1 129 LYS QB 242 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 130 GLU QB 103 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 130 GLU QG 221 no 50.0 96.3 0.447 0.465 0.017 2 0 no 0.408 0 0
1 131 MET QB 124 no 20.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 131 MET QG 67 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 132 SER QB 168 no 30.0 13.1 0.012 0.090 0.078 3 0 no 0.869 0 1
1 133 LEU QB 220 no 70.0 98.9 0.007 0.007 0.000 2 0 no 0.028 0 0
1 133 LEU QD 15 no 70.0 60.1 2.230 3.712 1.482 14 3 yes 1.766 19 24
1 134 LYS QB 167 no 70.0 74.7 0.006 0.008 0.002 3 0 no 0.265 0 0
1 134 LYS QD 219 no 60.0 45.3 0.170 0.374 0.205 2 0 yes 1.134 1 5
1 134 LYS QG 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 135 HIS QB 38 no 100.0 100.0 0.038 0.038 0.000 8 0 no 0.000 0 0
1 136 MET QB 50 no 20.0 100.0 0.002 0.002 0.000 8 5 no 0.000 0 0
1 137 MET QB 151 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 137 MET QG 58 no 80.0 48.4 1.466 3.028 1.561 7 2 no 0.034 0 0
1 138 LYS QB 217 no 20.0 100.0 0.126 0.126 0.000 2 0 no 0.000 0 0
1 140 VAL QG 6 no 80.0 29.7 0.146 0.492 0.346 25 7 yes 1.097 1 3
1 141 LEU QB 66 no 100.0 100.0 0.064 0.064 0.000 6 0 no 0.000 0 0
1 141 LEU QD 123 no 80.0 89.8 3.408 3.794 0.386 4 0 yes 1.542 2 2
1 145 HIS QB 32 no 90.0 100.0 0.001 0.001 0.000 9 0 no 0.000 0 0
1 147 ILE QG 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 148 GLU QB 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 148 GLU QG 122 no 10.0 15.5 0.003 0.018 0.016 4 0 no 0.383 0 0
1 149 GLU QB 166 no 70.0 6.9 0.041 0.596 0.555 3 0 yes 1.680 2 3
1 149 GLU QG 214 no 80.0 93.8 0.054 0.058 0.004 2 0 no 0.703 0 1
1 151 ILE QG 281 no 20.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 154 LEU QB 37 no 100.0 0.0 0.000 0.000 0.000 9 5 no 0.000 0 0
1 154 LEU QD 1 no 80.0 74.3 3.848 5.177 1.329 42 9 yes 2.141 3 7
1 155 ASP QB 121 no 30.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 156 GLU QB 165 no 60.0 1.6 0.011 0.697 0.686 3 0 yes 1.509 3 7
1 156 GLU QG 213 no 40.0 39.8 0.078 0.197 0.119 2 0 no 0.790 0 1
1 157 TYR QB 164 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 158 LYS QB 241 no 10.0 100.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 158 LYS QD 280 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 158 LYS QE 279 no 80.0 5.6 0.005 0.084 0.079 1 0 no 0.652 0 2
1 158 LYS QG 240 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 159 ARG QB 212 no 20.0 100.0 0.099 0.099 0.000 2 0 no 0.000 0 0
1 159 ARG QD 211 no 100.0 100.0 0.001 0.001 0.000 2 0 no 0.099 0 0
1 159 ARG QG 139 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 160 LYS QB 76 no 80.0 67.3 0.101 0.150 0.049 6 1 no 0.498 0 0
1 160 LYS QD 210 no 30.0 65.7 0.186 0.283 0.097 2 0 no 0.968 0 1
1 160 LYS QE 278 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 160 LYS QG 277 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 162 SER QB 89 no 70.0 87.1 0.056 0.064 0.008 5 0 no 0.179 0 0
1 163 GLY QA 276 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 164 GLY QA 275 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 169 ARG QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 169 ARG QG 274 no 10.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 170 MET QB 273 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 171 PHE QB 272 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 172 GLU QB 65 no 100.0 100.0 0.001 0.001 0.000 6 0 no 0.000 0 0
1 172 GLU QG 53 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 173 ASP QB 102 no 30.0 100.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 174 ARG QB 150 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 174 ARG QD 110 no 10.0 6.0 0.000 0.002 0.002 5 3 no 0.127 0 0
1 174 ARG QG 80 no 70.0 98.5 0.075 0.076 0.001 6 2 no 0.867 0 1
1 175 LYS QB 101 no 90.0 93.7 0.737 0.787 0.050 5 1 no 0.705 0 1
1 175 LYS QD 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 175 LYS QE 82 no 70.0 79.9 0.246 0.308 0.062 6 3 no 0.421 0 0
1 175 LYS QG 271 no 90.0 90.0 0.933 1.036 0.104 1 0 yes 1.013 1 1
1 176 GLU QB 207 no 90.0 90.6 0.076 0.084 0.008 2 0 no 0.280 0 0
1 176 GLU QG 88 no 80.0 96.7 0.053 0.055 0.002 5 0 no 0.726 0 1
1 177 LYS QB 206 no 60.0 100.0 0.023 0.023 0.000 2 0 no 0.000 0 0
1 177 LYS QD 270 no 60.0 86.3 0.594 0.688 0.094 1 0 yes 1.365 4 4
1 177 LYS QE 269 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.062 0 0
1 177 LYS QG 268 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 179 LEU QB 120 no 100.0 100.0 0.222 0.222 0.000 4 0 no 0.000 0 0
1 179 LEU QD 23 no 60.0 32.6 0.206 0.631 0.425 11 2 yes 1.293 2 5
1 180 LYS QB 267 no 20.0 100.0 0.017 0.017 0.000 1 0 no 0.000 0 0
1 180 LYS QG 205 no 100.0 100.0 0.000 0.000 0.000 2 0 no 0.010 0 0
1 182 MET QB 163 no 100.0 100.0 0.079 0.079 0.000 3 0 no 0.000 0 0
1 182 MET QG 162 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 184 LYS QB 204 no 70.0 57.9 0.354 0.612 0.257 2 0 no 0.862 0 4
1 184 LYS QD 266 no 50.0 37.0 0.004 0.011 0.007 1 0 no 0.262 0 0
1 184 LYS QG 203 no 100.0 0.0 0.000 0.034 0.034 2 0 no 0.463 0 0
1 186 ASP QB 119 no 50.0 100.0 0.002 0.002 0.000 4 0 no 0.000 0 0
1 187 LEU QB 118 no 80.0 72.5 0.140 0.193 0.053 4 0 no 0.516 0 2
1 187 LEU QD 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 188 LYS QB 265 no 50.0 49.4 0.022 0.044 0.022 1 0 no 0.337 0 0
1 188 LYS QD 264 no 100.0 100.0 0.004 0.004 0.000 1 0 no 0.150 0 0
1 189 LEU QB 309 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 189 LEU QD 44 no 100.0 0.0 0.000 0.000 0.000 8 3 no 0.000 0 0
1 190 GLN QB 149 no 100.0 99.7 0.621 0.623 0.002 4 2 no 0.131 0 0
1 190 GLN QE 84 no 100.0 99.6 0.730 0.733 0.003 6 4 no 0.131 0 0
1 190 GLN QG 104 no 50.0 97.9 0.081 0.083 0.002 5 2 no 0.130 0 0
1 191 GLU QB 161 no 10.0 8.6 0.003 0.038 0.034 3 0 no 0.445 0 0
1 191 GLU QG 52 no 100.0 100.0 0.098 0.098 0.000 7 0 no 0.675 0 2
1 192 ILE QG 263 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 194 GLU QB 116 no 30.0 100.0 0.017 0.017 0.000 4 0 no 0.000 0 0
1 194 GLU QG 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 195 LEU QB 29 no 50.0 80.6 0.016 0.020 0.004 10 2 no 0.196 0 0
1 195 LEU QD 81 no 40.0 75.8 0.012 0.016 0.004 6 3 no 0.196 0 0
1 196 LEU QB 160 no 50.0 100.0 0.009 0.009 0.000 3 0 no 0.003 0 0
1 196 LEU QD 17 no 90.0 90.2 5.284 5.858 0.574 13 1 yes 1.583 3 5
1 197 ARG QB 202 no 30.0 65.9 0.019 0.028 0.010 2 0 no 0.310 0 0
1 197 ARG QG 262 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 198 ASP QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 199 GLU QB 200 no 40.0 100.0 0.051 0.051 0.000 2 0 no 0.000 0 0
1 199 GLU QG 159 no 20.0 71.5 0.004 0.006 0.002 3 0 no 0.128 0 0
1 200 ILE QG 158 no 90.0 57.1 0.002 0.004 0.002 3 0 no 0.110 0 0
1 201 GLU QB 21 yes 80.0 98.2 0.382 0.389 0.007 12 7 no 0.134 0 0
1 201 GLU QG 148 no 10.0 6.3 0.000 0.001 0.000 4 2 no 0.057 0 0
1 202 PRO QB 59 no 20.0 44.0 0.001 0.002 0.001 7 3 no 0.071 0 0
1 202 PRO QD 22 no 50.0 86.8 0.032 0.036 0.005 12 8 no 0.134 0 0
1 202 PRO QG 147 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 203 LYS QB 100 no 100.0 83.7 0.002 0.003 0.000 5 1 no 0.168 0 0
1 203 LYS QD 261 no 40.0 81.2 0.034 0.041 0.008 1 0 no 0.279 0 0
1 203 LYS QE 260 no 30.0 82.4 0.044 0.054 0.009 1 0 no 0.307 0 0
1 203 LYS QG 188 no 100.0 100.0 0.001 0.001 0.000 3 1 no 0.071 0 0
1 204 LEU QB 99 no 20.0 100.0 0.003 0.003 0.000 5 1 no 0.000 0 0
1 204 LEU QD 12 no 70.0 71.3 2.330 3.269 0.938 17 1 yes 2.545 2 2
1 205 GLU QB 98 no 60.0 17.7 0.010 0.055 0.046 5 1 no 0.496 0 0
1 205 GLU QG 259 no 80.0 14.2 0.001 0.010 0.009 1 0 no 0.238 0 0
1 206 LYS QB 146 no 60.0 99.1 0.027 0.028 0.000 4 2 no 0.031 0 0
1 206 LYS QD 199 no 70.0 17.6 0.027 0.154 0.127 2 0 yes 1.142 1 1
1 206 LYS QE 198 no 70.0 90.4 0.084 0.093 0.009 2 0 no 0.840 0 1
1 206 LYS QG 187 no 70.0 3.0 0.001 0.019 0.018 3 1 no 0.327 0 0
1 207 LEU QB 42 no 100.0 91.8 0.068 0.074 0.006 8 2 no 0.239 0 0
1 207 LEU QD 27 yes 80.0 98.1 2.306 2.350 0.044 10 0 no 0.366 0 0
1 208 ARG QB 258 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 208 ARG QD 114 no 50.0 63.5 0.178 0.280 0.102 4 0 yes 1.004 1 3
1 209 GLN QE 197 no 10.0 100.0 0.025 0.025 0.000 2 0 no 0.000 0 0
1 212 ARG QB 157 no 80.0 87.1 0.774 0.889 0.115 3 0 no 0.800 0 2
1 212 ARG QD 257 no 100.0 100.0 0.080 0.080 0.000 1 0 no 0.895 0 1
1 212 ARG QG 256 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 214 PHE QB 156 no 20.0 100.0 0.045 0.045 0.000 3 0 no 0.000 0 0
1 215 LEU QB 75 no 100.0 100.0 0.642 0.642 0.000 6 1 no 0.000 0 0
1 215 LEU QD 74 no 100.0 100.0 0.880 0.880 0.000 6 1 no 0.000 0 0
1 216 ASP QB 155 no 30.0 87.1 0.266 0.305 0.039 3 0 no 0.429 0 0
1 217 PHE QB 64 no 60.0 97.8 0.573 0.585 0.013 6 0 no 0.231 0 0
1 218 GLN QB 41 no 90.0 89.0 0.865 0.972 0.107 8 2 yes 1.027 1 1
1 218 GLN QE 112 no 100.0 87.4 0.679 0.777 0.098 5 4 no 0.000 0 0
1 218 GLN QG 79 no 60.0 46.4 0.757 1.632 0.875 6 2 yes 1.494 4 10
1 219 GLN QB 51 no 100.0 99.9 2.269 2.271 0.001 7 0 no 0.089 0 0
1 219 GLN QE 78 no 70.0 100.0 0.076 0.076 0.000 6 2 no 0.001 0 0
1 219 GLN QG 77 no 60.0 25.8 0.042 0.161 0.120 6 2 no 0.634 0 2
1 221 GLN QB 97 no 60.0 17.0 0.047 0.279 0.231 5 1 yes 0.709 0 6
1 221 GLN QE 109 no 100.0 98.0 0.481 0.490 0.010 5 3 no 0.202 0 0
1 221 GLN QG 57 no 60.0 79.7 0.490 0.615 0.125 7 2 no 0.665 0 1
stop_
save_
Contact the webmaster for help, if required. Sunday, May 5, 2024 1:20:05 AM GMT (wattos1)