NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
584191 |
2mtv   |
25188 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mtv
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 195
_Stereo_assign_list.Swap_count 1
_Stereo_assign_list.Swap_percentage 0.5
_Stereo_assign_list.Deassign_count 16
_Stereo_assign_list.Deassign_percentage 8.2
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 7266.819
_Stereo_assign_list.Total_e_high_states 7555.891
_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 5 LEU QD 79 no 100.0 98.0 0.592 0.604 0.012 13 1 no 0.293 0 0
1 6 LYS QG 131 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.083 0 0
1 8 VAL QG 28 no 100.0 98.3 0.182 0.185 0.003 22 10 no 0.067 0 0
1 9 LEU QB 50 no 100.0 99.8 3.127 3.132 0.005 17 4 no 0.218 0 0
1 9 LEU QD 27 no 100.0 97.6 0.158 0.162 0.004 22 7 no 0.156 0 0
1 10 GLN QB 94 no 100.0 99.6 2.332 2.340 0.009 12 4 no 0.121 0 0
1 10 GLN QE 80 no 100.0 99.4 1.832 1.844 0.012 13 2 no 0.134 0 0
1 10 GLN QG 86 no 100.0 0.0 0.000 0.004 0.004 12 0 no 0.105 0 0
1 11 ASP QB 35 no 100.0 90.5 0.141 0.156 0.015 20 10 no 0.122 0 0
1 13 ARG QB 107 no 100.0 0.0 0.000 0.002 0.002 10 0 no 0.077 0 0
1 13 ARG QD 70 no 0.0 0.0 0.000 0.004 0.004 14 0 no 0.122 0 0
1 13 ARG QG 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 PHE QB 85 no 100.0 0.0 0.000 0.007 0.007 12 0 no 0.109 0 0
1 15 PHE QB 133 no 100.0 99.8 0.802 0.804 0.001 8 1 no 0.068 0 0
1 16 LEU QB 76 no 100.0 0.0 0.000 0.005 0.005 14 4 no 0.101 0 0
1 16 LEU QD 49 no 95.0 0.5 0.391 77.735 77.344 17 4 yes 6.800 40 40
1 18 LYS QB 103 no 100.0 0.9 1.108 128.214 127.106 11 2 yes 7.948 80 80
1 18 LYS QD 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 LYS QG 164 no 100.0 99.9 2.108 2.109 0.002 5 0 no 0.106 0 0
1 19 SER QB 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 ASN QB 62 no 80.0 0.0 0.000 587.649 587.649 16 6 yes 13.660 80 80
1 20 ASN QD 59 no 90.0 0.1 0.261 397.167 396.905 16 5 yes 11.003 80 80
1 21 ASN QB 191 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.087 0 0
1 21 ASN QD 44 no 95.0 0.1 0.470 489.773 489.303 18 8 yes 16.757 40 40
1 22 HIS QB 83 no 100.0 99.9 2.997 2.999 0.002 13 6 no 0.065 0 0
1 23 GLU QG 113 no 100.0 0.0 0.000 0.006 0.006 10 4 no 0.141 0 0
1 24 ASN QB 47 no 100.0 99.9 1.457 1.459 0.001 17 1 no 0.087 0 0
1 24 ASN QD 4 no 100.0 0.4 2.505 661.270 658.765 33 10 yes 19.084 40 40
1 25 VAL QG 2 no 20.0 86.0 0.237 0.275 0.039 34 10 no 0.220 0 0
1 27 LEU QB 13 no 100.0 100.0 1.901 1.901 0.001 26 5 no 0.051 0 0
1 27 LEU QD 23 no 100.0 92.6 0.321 0.346 0.025 24 9 no 0.221 0 0
1 29 LYS QB 116 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 29 LYS QD 174 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.046 0 0
1 29 LYS QG 150 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 31 LYS QB 14 no 100.0 100.0 2.466 2.466 0.000 26 6 no 0.001 0 0
1 31 LYS QE 152 no 100.0 0.0 0.000 0.005 0.005 6 2 no 0.127 0 0
1 32 GLY QA 115 no 100.0 99.8 2.129 2.134 0.005 9 0 no 0.116 0 0
1 33 VAL QG 82 no 100.0 95.6 0.017 0.018 0.001 13 4 no 0.041 0 0
1 34 TRP QB 26 no 100.0 99.2 1.845 1.860 0.015 22 3 no 0.112 0 0
1 35 SER QB 99 no 100.0 0.0 0.000 0.003 0.003 12 8 no 0.103 0 0
1 37 LEU QB 21 no 100.0 99.6 2.420 2.429 0.009 25 10 no 0.114 0 0
1 37 LEU QD 3 no 100.0 0.0 0.125 1208.305 1208.179 34 14 yes 11.753 387 394
1 38 PRO QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 PRO QD 158 no 100.0 0.0 0.000 0.004 0.004 6 4 no 0.106 0 0
1 39 VAL QG 75 no 100.0 1.3 0.693 53.056 52.363 14 2 yes 6.349 40 40
1 40 ASN QB 22 no 100.0 99.9 2.848 2.850 0.002 24 5 no 0.062 0 0
1 40 ASN QD 5 no 100.0 99.9 2.710 2.713 0.004 33 14 no 0.085 0 0
1 41 GLU QB 102 no 100.0 99.9 2.957 2.959 0.002 11 0 no 0.077 0 0
1 41 GLU QG 106 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 42 LYS QG 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 LYS QB 91 no 100.0 99.8 0.517 0.518 0.001 12 3 no 0.096 0 0
1 43 LYS QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.056 0 0
1 43 LYS QG 130 no 100.0 96.7 0.127 0.131 0.004 8 0 no 0.118 0 0
1 44 LEU QB 140 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 44 LEU QD 29 no 100.0 0.0 0.000 0.003 0.003 21 6 no 0.078 0 0
1 45 ASN QB 129 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.053 0 0
1 45 ASN QD 101 no 100.0 99.8 2.840 2.845 0.005 11 0 no 0.091 0 0
1 46 LEU QB 118 no 100.0 100.0 1.016 1.016 0.000 9 2 no 0.000 0 0
1 46 LEU QD 146 no 100.0 100.0 1.220 1.220 0.000 7 2 no 0.000 0 0
1 48 PHE QB 30 no 100.0 99.8 6.581 6.595 0.014 20 2 no 0.143 0 0
1 49 ARG QB 149 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.097 0 0
1 49 ARG QD 128 no 100.0 0.0 0.000 0.024 0.024 8 0 no 0.180 0 0
1 49 ARG QG 172 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.094 0 0
1 50 SER QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 ARG QB 68 no 100.0 100.0 3.764 3.766 0.001 15 4 no 0.069 0 0
1 53 SER QB 112 no 100.0 0.0 0.000 0.002 0.002 10 4 no 0.154 0 0
1 55 ILE QG 69 no 100.0 99.7 2.100 2.106 0.006 14 0 no 0.081 0 0
1 56 LEU QB 56 no 100.0 99.3 1.537 1.547 0.010 16 2 no 0.107 0 0
1 56 LEU QD 67 no 100.0 46.6 0.006 0.013 0.007 15 4 no 0.105 0 0
1 57 ILE QG 45 no 100.0 99.5 2.160 2.172 0.012 17 0 no 0.090 0 0
1 58 PHE QB 37 no 100.0 99.5 2.231 2.241 0.011 19 4 no 0.128 0 0
1 59 SER QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 60 VAL QG 15 no 15.0 0.0 0.000 0.032 0.032 26 8 no 0.199 0 0
1 61 ARG QB 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 61 ARG QG 170 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.193 0 0
1 62 GLU QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 SER QB 157 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.089 0 0
1 65 LYS QB 33 no 100.0 99.7 1.272 1.276 0.004 20 9 no 0.087 0 0
1 65 LYS QD 8 no 100.0 99.6 2.630 2.640 0.010 29 14 no 0.188 0 0
1 65 LYS QE 53 no 100.0 100.0 3.233 3.234 0.001 17 11 no 0.053 0 0
1 65 LYS QG 34 no 100.0 99.9 5.856 5.862 0.006 20 10 no 0.077 0 0
1 66 PHE QB 11 no 100.0 100.0 4.077 4.077 0.000 27 8 no 0.048 0 0
1 67 GLN QE 17 no 100.0 0.0 0.000 0.008 0.008 26 18 no 0.163 0 0
1 67 GLN QG 139 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 68 GLY QA 39 no 100.0 100.0 2.202 2.202 0.000 18 0 no 0.019 0 0
1 71 ARG QB 18 no 100.0 99.9 8.340 8.352 0.012 25 6 no 0.152 0 0
1 71 ARG QD 61 no 100.0 0.0 0.000 0.008 0.008 16 6 no 0.084 0 0
1 71 ARG QG 127 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 72 LEU QB 19 no 100.0 99.9 2.509 2.511 0.002 25 8 no 0.064 0 0
1 72 LEU QD 52 no 100.0 98.0 0.198 0.203 0.004 17 8 no 0.079 0 0
1 73 SER QB 111 no 90.0 93.9 0.069 0.074 0.004 10 4 no 0.114 0 0
1 74 SER QB 138 no 100.0 0.0 0.000 0.003 0.003 8 4 no 0.065 0 0
1 75 GLU QB 145 no 100.0 99.3 0.869 0.875 0.006 7 0 no 0.098 0 0
1 75 GLU QG 105 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.008 0 0
1 76 SER QB 179 no 0.0 0.0 0.000 0.010 0.010 4 2 no 0.159 0 0
1 77 HIS QB 126 no 100.0 0.0 0.000 0.018 0.018 8 0 no 0.188 0 0
1 82 PRO QB 163 no 100.0 99.8 1.893 1.896 0.003 5 0 no 0.074 0 0
1 82 PRO QG 185 no 100.0 0.0 0.000 0.008 0.008 2 0 no 0.110 0 0
1 83 ILE QG 78 no 100.0 100.0 1.884 1.884 0.000 13 0 no 0.031 0 0
1 84 HIS QB 93 no 100.0 96.0 0.376 0.392 0.016 12 4 no 0.129 0 0
1 85 TRP QB 9 no 100.0 99.9 3.202 3.204 0.002 28 6 no 0.064 0 0
1 86 VAL QG 32 no 65.0 98.5 0.230 0.233 0.004 20 9 no 0.150 0 0
1 87 LEU QB 97 no 100.0 98.7 1.433 1.453 0.020 12 7 no 0.261 0 0
1 87 LEU QD 20 no 100.0 50.4 0.005 0.010 0.005 25 10 no 0.134 0 0
1 88 PRO QB 31 no 100.0 0.4 2.534 693.408 690.874 20 7 yes 14.705 80 80
1 88 PRO QD 43 no 100.0 0.3 1.645 539.225 537.580 18 8 yes 16.873 40 40
1 88 PRO QG 77 no 100.0 99.5 3.838 3.856 0.018 14 5 no 0.261 0 0
1 90 GLY QA 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 MET QB 156 no 70.0 97.1 0.188 0.194 0.006 6 4 no 0.184 0 0
1 92 SER QB 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 MET QB 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 96 LEU QB 98 no 100.0 0.0 0.000 0.003 0.003 12 8 no 0.103 0 0
1 96 LEU QD 6 no 5.0 0.0 0.000 674.334 674.334 32 14 yes 14.796 80 80
1 97 GLY QA 162 no 100.0 99.1 0.050 0.051 0.000 5 0 no 0.046 0 0
1 98 GLY QA 36 no 100.0 99.7 1.572 1.576 0.004 19 2 no 0.105 0 0
1 100 PHE QB 48 no 100.0 99.4 2.296 2.311 0.015 17 4 no 0.103 0 0
1 101 LYS QB 10 no 100.0 99.8 2.704 2.710 0.005 28 8 no 0.114 0 0
1 101 LYS QG 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 102 ILE QG 90 no 100.0 99.2 1.094 1.104 0.009 12 3 no 0.112 0 0
1 103 ASP QB 108 no 100.0 98.1 0.547 0.558 0.011 10 2 no 0.152 0 0
1 104 TRP QB 64 no 100.0 99.4 1.155 1.162 0.007 15 2 no 0.148 0 0
1 105 ILE QG 54 no 100.0 99.9 3.601 3.605 0.003 16 0 no 0.080 0 0
1 106 CYS QB 148 no 100.0 0.0 0.000 0.006 0.006 6 0 no 0.135 0 0
1 107 ARG QB 117 no 100.0 100.0 2.509 2.509 0.000 9 2 no 0.041 0 0
1 107 ARG QD 166 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 107 ARG QG 178 no 100.0 0.0 0.000 0.002 0.002 4 2 no 0.117 0 0
1 108 ARG QB 161 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 109 GLU QB 165 no 100.0 100.0 0.016 0.016 0.000 5 2 no 0.000 0 0
1 109 GLU QG 137 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.014 0 0
1 110 LEU QB 7 no 100.0 100.0 4.485 4.485 0.000 29 10 no 0.054 0 0
1 110 LEU QD 24 no 100.0 99.8 0.089 0.089 0.000 24 10 no 0.034 0 0
1 111 PRO QB 51 no 100.0 99.4 2.949 2.968 0.018 17 7 no 0.121 0 0
1 111 PRO QD 136 no 100.0 99.8 2.298 2.302 0.004 8 3 no 0.099 0 0
1 111 PRO QG 57 no 100.0 99.9 4.478 4.481 0.003 16 3 no 0.076 0 0
1 112 PHE QB 155 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 114 LYS QG 147 no 75.0 61.9 0.020 0.032 0.012 6 0 no 0.169 0 0
1 115 SER QB 114 no 100.0 0.0 0.000 0.003 0.003 10 6 no 0.090 0 0
1 117 HIS QB 144 no 100.0 100.0 1.168 1.168 0.000 7 0 no 0.000 0 0
1 118 LEU QB 74 no 100.0 99.0 0.736 0.744 0.008 14 2 no 0.109 0 0
1 118 LEU QD 60 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.026 0 0
1 120 ASN QB 181 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 121 PRO QB 73 no 100.0 99.9 5.309 5.316 0.007 14 2 no 0.124 0 0
1 121 PRO QD 177 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 121 PRO QG 89 no 100.0 99.6 1.866 1.874 0.008 12 2 no 0.125 0 0
1 122 TRP QB 41 no 100.0 100.0 1.068 1.068 0.000 18 4 no 0.039 0 0
1 123 ASN QB 143 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 124 GLU QB 125 no 40.0 81.3 0.106 0.130 0.024 8 0 no 0.431 0 0
1 126 LYS QB 194 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 127 PRO QB 124 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.105 0 0
1 127 PRO QD 72 no 100.0 100.0 2.796 2.797 0.001 14 2 no 0.058 0 0
1 128 VAL QG 38 no 40.0 36.8 0.017 0.045 0.028 19 8 no 0.174 0 0
1 129 LYS QB 88 no 100.0 99.9 2.197 2.200 0.003 12 2 no 0.097 0 0
1 129 LYS QD 154 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 129 LYS QE 151 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 129 LYS QG 195 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 130 ILE QG 100 no 100.0 100.0 0.054 0.054 0.000 11 0 no 0.000 0 0
1 131 GLY QA 193 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.025 0 0
1 132 ARG QB 123 no 100.0 0.0 0.044 186.628 186.584 8 0 yes 10.262 40 40
1 132 ARG QD 84 no 75.0 0.0 0.000 579.242 579.242 12 0 yes 11.513 160 160
1 132 ARG QG 135 no 100.0 99.9 4.170 4.172 0.002 8 2 no 0.152 0 0
1 133 ASP QB 134 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 134 GLY QA 96 no 100.0 95.8 0.222 0.232 0.010 12 7 no 0.145 0 0
1 135 GLN QB 65 no 100.0 99.3 4.932 4.965 0.033 15 3 no 0.171 0 0
1 135 GLN QE 63 no 100.0 0.0 0.000 0.004 0.004 16 10 no 0.081 0 0
1 135 GLN QG 180 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 136 GLU QG 160 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.024 0 0
1 137 ILE QG 46 no 100.0 99.4 2.162 2.175 0.013 17 1 no 0.175 0 0
1 138 GLU QB 12 no 100.0 100.0 6.375 6.377 0.001 27 9 no 0.090 0 0
1 138 GLU QG 122 no 100.0 100.0 0.419 0.419 0.000 8 0 no 0.000 0 0
1 139 LEU QB 110 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 139 LEU QD 25 no 100.0 91.6 0.406 0.444 0.037 23 10 no 0.197 0 0
1 140 GLU QB 132 no 100.0 99.8 1.080 1.083 0.003 8 1 no 0.079 0 0
1 140 GLU QG 42 no 100.0 99.2 3.823 3.855 0.031 18 5 no 0.197 0 0
1 141 CYS QB 71 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.047 0 0
1 142 GLY QA 40 no 100.0 100.0 0.887 0.887 0.000 18 3 no 0.000 0 0
1 144 GLN QE 55 no 100.0 99.6 11.081 11.122 0.041 16 1 no 0.212 0 0
1 144 GLN QG 58 no 100.0 0.0 0.000 0.010 0.010 16 4 no 0.120 0 0
1 145 LEU QB 95 no 100.0 99.5 2.004 2.015 0.010 12 6 no 0.092 0 0
1 145 LEU QD 16 no 90.0 10.4 0.003 0.026 0.023 26 12 no 0.168 0 0
1 146 CYS QB 92 no 80.0 88.4 0.033 0.037 0.004 12 4 no 0.140 0 0
1 147 LEU QB 109 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 147 LEU QD 81 no 100.0 92.2 0.265 0.288 0.022 13 4 no 0.150 0 0
1 148 LEU QB 66 no 100.0 98.6 1.376 1.395 0.019 15 4 no 0.103 0 0
1 148 LEU QD 1 no 100.0 99.9 10.850 10.865 0.015 35 11 no 0.104 0 0
1 149 PHE QB 142 no 100.0 99.9 0.552 0.553 0.000 7 0 no 0.029 0 0
1 150 PRO QB 159 no 100.0 100.0 2.649 2.650 0.001 5 0 no 0.060 0 0
1 150 PRO QG 87 no 100.0 100.0 2.317 2.317 0.000 12 1 no 0.061 0 0
1 151 PRO QB 141 no 100.0 100.0 1.189 1.189 0.000 7 0 no 0.025 0 0
1 152 ASP QB 104 no 100.0 0.0 0.000 0.007 0.007 10 0 no 0.254 0 0
1 153 GLU QB 121 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.070 0 0
1 155 ILE QG 120 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.063 0 0
1 156 ASP QB 183 no 100.0 0.0 0.000 0.009 0.009 2 0 no 0.281 0 0
2 5 A Q5' 153 no 100.0 0.2 0.796 351.457 350.661 6 4 yes 7.806 120 120
2 5 A Q6 182 yes 100.0 11.9 71.257 599.083 527.826 3 2 yes 16.933 60 60
2 6 C Q5' 119 no 60.0 1.0 1.276 122.360 121.084 8 0 yes 7.616 116 119
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