NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
612774 |
5mmu   |
25968 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_5mmu
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 199
_Stereo_assign_list.Swap_count 1
_Stereo_assign_list.Swap_percentage 0.5
_Stereo_assign_list.Deassign_count 0
_Stereo_assign_list.Deassign_percentage 0.0
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 0.668
_Stereo_assign_list.Total_e_high_states 45.570
_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 GLY QA 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 2 VAL QG 12 no 100.0 100.0 0.478 0.478 0.000 20 3 no 0.000 0 0
1 3 TYR QB 131 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 5 PHE QB 168 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 6 GLU QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 GLU QG 56 no 100.0 0.0 0.000 0.010 0.010 10 2 no 0.213 0 0
1 7 ASN QB 84 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 7 ASN QD 122 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.071 0 0
1 8 GLU QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 GLU QG 167 no 35.0 96.4 0.104 0.108 0.004 3 0 no 0.118 0 0
1 9 PHE QB 130 no 25.0 100.0 0.013 0.013 0.000 5 0 no 0.000 0 0
1 11 SER QB 119 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 12 GLU QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 GLU QG 118 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 15 PRO QB 79 no 100.0 0.0 0.000 0.000 0.000 8 3 no 0.000 0 0
1 15 PRO QD 195 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 15 PRO QG 133 no 100.0 99.4 2.862 2.879 0.017 5 1 no 0.252 0 0
1 16 SER QB 55 no 0.0 0.0 0.000 0.005 0.005 10 0 no 0.202 0 0
1 17 ARG QB 18 no 100.0 100.0 1.495 1.495 0.000 18 0 no 0.067 0 0
1 17 ARG QD 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 18 LEU QB 75 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 18 LEU QD 33 no 100.0 100.0 2.485 2.485 0.000 13 2 no 0.000 0 0
1 19 PHE QB 38 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 20 LYS QB 1 no 100.0 84.5 0.475 0.562 0.087 37 20 no 0.438 0 0
1 20 LYS QD 57 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.131 0 0
1 20 LYS QE 30 no 100.0 0.0 0.000 0.000 0.000 14 12 no 0.076 0 0
1 20 LYS QG 23 no 5.0 20.4 0.001 0.005 0.004 16 8 no 0.129 0 0
1 22 PHE QB 93 no 25.0 78.3 0.003 0.003 0.001 7 0 no 0.107 0 0
1 23 VAL QG 10 no 100.0 100.0 0.384 0.384 0.000 23 3 no 0.000 0 0
1 24 LEU QB 29 no 70.0 76.7 0.251 0.327 0.076 14 8 no 0.438 0 0
1 24 LEU QD 24 no 80.0 100.0 0.007 0.007 0.000 16 9 no 0.000 0 0
1 25 ASP QB 63 no 90.0 99.8 0.322 0.323 0.001 9 0 no 0.098 0 0
1 27 ASP QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 28 ASN QB 22 no 100.0 0.0 0.000 0.002 0.002 16 6 no 0.104 0 0
1 28 ASN QD 66 no 60.0 97.1 0.054 0.056 0.002 9 6 no 0.104 0 0
1 29 LEU QB 8 no 100.0 97.4 0.470 0.482 0.013 27 9 no 0.250 0 0
1 29 LEU QD 17 no 100.0 100.0 1.347 1.347 0.000 19 12 no 0.000 0 0
1 31 PRO QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 LYS QB 32 no 10.0 23.4 0.000 0.001 0.001 13 2 no 0.051 0 0
1 32 LYS QD 74 no 100.0 0.0 0.000 0.008 0.008 8 0 no 0.131 0 0
1 32 LYS QG 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 PRO QD 117 no 100.0 100.0 0.981 0.981 0.000 6 0 no 0.043 0 0
1 35 PRO QG 188 no 100.0 99.6 0.723 0.726 0.003 2 0 no 0.167 0 0
1 36 GLN QB 83 no 20.0 98.7 0.067 0.068 0.001 8 4 no 0.106 0 0
1 36 GLN QE 86 no 100.0 75.4 0.002 0.002 0.001 8 8 no 0.120 0 0
1 36 GLN QG 82 no 40.0 51.3 0.002 0.004 0.002 8 4 no 0.120 0 0
1 38 ILE QG 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 LYS QB 54 no 95.0 98.3 0.188 0.191 0.003 10 0 no 0.250 0 0
1 39 LYS QD 116 no 65.0 98.9 0.101 0.102 0.001 6 0 no 0.117 0 0
1 39 LYS QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 40 GLN QB 78 no 80.0 99.4 0.174 0.175 0.001 8 2 no 0.140 0 0
1 40 GLN QE 85 no 100.0 0.0 0.000 0.004 0.004 8 6 no 0.126 0 0
1 40 GLN QG 81 no 80.0 96.3 0.264 0.274 0.010 8 4 no 0.252 0 0
1 42 GLU QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 42 GLU QG 156 no 5.0 96.0 0.017 0.017 0.001 4 0 no 0.118 0 0
1 43 ILE QG 37 no 100.0 92.5 0.227 0.246 0.018 12 0 no 0.187 0 0
1 44 LEU QB 41 no 100.0 100.0 0.366 0.366 0.000 12 4 no 0.000 0 0
1 44 LEU QD 47 no 5.0 100.0 0.003 0.003 0.000 11 4 no 0.000 0 0
1 45 GLU QB 155 no 15.0 4.3 0.000 0.010 0.009 4 0 no 0.335 0 0
1 45 GLU QG 129 no 95.0 82.9 0.127 0.154 0.026 5 0 no 0.447 0 0
1 46 GLY QA 92 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 47 ASN QB 80 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 47 ASN QD 65 no 100.0 0.0 0.000 0.000 0.000 9 5 no 0.000 0 0
1 48 GLY QA 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 49 GLY QA 95 no 35.0 1.8 0.000 0.003 0.003 7 2 no 0.085 0 0
1 50 PRO QB 64 no 100.0 99.8 0.345 0.346 0.001 9 2 no 0.051 0 0
1 50 PRO QD 97 no 60.0 82.4 0.003 0.004 0.001 7 5 no 0.051 0 0
1 50 PRO QG 120 no 100.0 0.0 0.000 0.002 0.002 6 2 no 0.072 0 0
1 51 GLY QA 128 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 54 LYS QB 166 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 54 LYS QD 153 no 35.0 98.2 0.466 0.474 0.009 4 0 no 0.211 0 0
1 54 LYS QG 45 no 95.0 96.1 0.517 0.538 0.021 11 0 no 0.447 0 0
1 55 LYS QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 55 LYS QG 115 no 90.0 98.9 0.920 0.931 0.011 6 0 no 0.174 0 0
1 58 PHE QB 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 59 GLY QA 62 no 100.0 98.5 0.030 0.030 0.000 9 0 no 0.077 0 0
1 60 GLU QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 60 GLU QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 GLY QA 165 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.003 0 0
1 62 SER QB 149 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.083 0 0
1 63 GLN QB 162 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.090 0 0
1 63 GLN QE 161 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.090 0 0
1 64 TYR QB 127 no 55.0 100.0 0.190 0.190 0.000 5 0 no 0.000 0 0
1 65 GLY QA 114 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 66 TYR QB 164 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.035 0 0
1 67 VAL QG 76 no 100.0 100.0 1.891 1.891 0.000 8 1 no 0.000 0 0
1 68 LYS QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 69 HIS QB 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 70 ARG QB 147 no 95.0 100.0 0.081 0.081 0.000 4 0 no 0.000 0 0
1 70 ARG QG 53 no 100.0 99.1 0.838 0.845 0.007 10 0 no 0.205 0 0
1 72 ASP QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 SER QB 73 no 100.0 0.0 0.000 0.014 0.014 8 0 no 0.288 0 0
1 74 ILE QG 160 no 100.0 100.0 0.067 0.067 0.000 4 2 no 0.000 0 0
1 75 ASP QB 61 no 95.0 96.9 0.119 0.123 0.004 9 0 no 0.260 0 0
1 76 GLU QB 72 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 76 GLU QG 71 no 100.0 0.0 0.000 0.010 0.010 8 0 no 0.240 0 0
1 78 SER QB 145 no 70.0 95.9 0.081 0.085 0.004 4 0 no 0.125 0 0
1 79 TYR QB 60 no 100.0 99.9 0.934 0.935 0.001 9 0 no 0.060 0 0
1 80 SER QB 52 no 80.0 97.6 0.687 0.704 0.017 10 0 no 0.201 0 0
1 81 TYR QB 112 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 82 SER QB 111 no 0.0 0.0 0.000 0.003 0.003 6 0 no 0.132 0 0
1 83 TYR QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 LEU QB 110 no 70.0 100.0 0.160 0.160 0.000 6 0 no 0.000 0 0
1 85 LEU QD 182 no 75.0 100.0 0.382 0.382 0.000 2 0 no 0.000 0 0
1 87 GLU QB 94 no 80.0 100.0 0.182 0.182 0.000 7 1 no 0.015 0 0
1 87 GLU QG 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 GLY QA 109 no 5.0 100.0 0.006 0.006 0.000 6 0 no 0.000 0 0
1 89 ASP QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 LEU QB 34 no 100.0 98.3 0.107 0.109 0.002 13 3 no 0.148 0 0
1 91 LEU QD 16 no 100.0 100.0 1.605 1.605 0.000 19 5 no 0.000 0 0
1 93 ASP QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 ILE QG 108 no 100.0 0.0 0.000 0.018 0.018 6 0 no 0.201 0 0
1 96 GLU QB 107 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.011 0 0
1 96 GLU QG 106 no 0.0 0.0 0.000 0.017 0.017 6 0 no 0.250 0 0
1 97 LYS QB 199 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 98 ILE QG 26 no 100.0 99.8 1.652 1.654 0.003 15 2 no 0.155 0 0
1 99 SER QB 105 no 5.0 0.0 0.000 0.003 0.003 6 0 no 0.111 0 0
1 100 TYR QB 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 101 GLU QB 104 no 65.0 99.8 0.056 0.056 0.000 6 0 no 0.049 0 0
1 101 GLU QG 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 LYS QB 91 no 100.0 99.6 1.553 1.560 0.007 7 0 no 0.153 0 0
1 103 LYS QD 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 LYS QG 198 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 104 LEU QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 104 LEU QD 51 no 100.0 100.0 1.600 1.600 0.000 10 0 no 0.000 0 0
1 105 VAL QG 59 no 100.0 100.0 2.530 2.530 0.000 9 0 no 0.000 0 0
1 107 CYS QB 90 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
1 109 SER QB 197 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 110 GLY QA 89 no 100.0 100.0 0.018 0.018 0.000 7 0 no 0.209 0 0
1 111 SER QB 44 no 70.0 95.4 0.085 0.089 0.004 11 0 no 0.106 0 0
1 114 LYS QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 114 LYS QD 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 114 LYS QG 88 no 100.0 7.3 0.000 0.003 0.002 7 0 no 0.128 0 0
1 115 SER QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 116 ILE QG 40 no 100.0 100.0 0.138 0.138 0.000 12 2 no 0.013 0 0
1 117 SER QB 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 HIS QB 132 no 10.0 100.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 119 TYR QB 126 no 100.0 100.0 0.000 0.000 0.000 5 0 no 0.052 0 0
1 120 HIS QB 77 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 122 LYS QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 122 LYS QD 87 no 100.0 100.0 1.195 1.195 0.000 7 0 no 0.005 0 0
1 122 LYS QG 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 123 GLY QA 138 no 100.0 100.0 0.346 0.346 0.000 4 0 no 0.000 0 0
1 124 ASN QB 169 no 100.0 0.0 0.000 0.000 0.000 3 3 no 0.000 0 0
1 124 ASN QD 121 no 100.0 99.8 0.790 0.791 0.001 6 3 no 0.149 0 0
1 125 ILE QG 125 no 100.0 100.0 0.001 0.001 0.000 5 0 no 0.082 0 0
1 126 GLU QB 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 127 ILE QG 36 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.027 0 0
1 128 LYS QB 124 no 95.0 100.0 0.075 0.075 0.000 5 0 no 0.000 0 0
1 128 LYS QD 137 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.111 0 0
1 128 LYS QG 50 no 100.0 0.0 0.000 0.003 0.003 10 0 no 0.138 0 0
1 129 GLU QB 102 no 100.0 99.9 0.170 0.170 0.000 6 0 no 0.024 0 0
1 129 GLU QG 101 no 15.0 75.2 0.000 0.000 0.000 6 0 no 0.031 0 0
1 130 GLU QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 130 GLU QG 136 no 15.0 100.0 0.015 0.015 0.000 4 0 no 0.000 0 0
1 131 HIS QB 70 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 132 VAL QG 46 no 65.0 100.0 0.007 0.007 0.000 11 2 no 0.000 0 0
1 133 LYS QB 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 133 LYS QD 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 133 LYS QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 134 VAL QG 123 no 20.0 100.0 0.002 0.002 0.000 5 0 no 0.000 0 0
1 135 GLY QA 49 no 80.0 84.9 0.070 0.082 0.012 10 0 no 0.496 0 0
1 136 LYS QB 159 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 136 LYS QD 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 136 LYS QG 163 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 137 GLU QG 196 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 138 LYS QB 99 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.063 0 0
1 138 LYS QD 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 138 LYS QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 140 HIS QB 35 no 100.0 0.0 0.000 0.001 0.001 12 0 no 0.100 0 0
1 141 GLY QA 69 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 142 LEU QB 14 no 100.0 67.4 0.055 0.082 0.027 20 6 no 0.214 0 0
1 142 LEU QD 6 no 100.0 100.0 0.386 0.386 0.000 28 6 no 0.000 0 0
1 143 PHE QB 31 no 100.0 99.8 0.540 0.541 0.001 13 0 no 0.106 0 0
1 144 LYS QB 15 no 95.0 99.2 0.872 0.879 0.007 20 8 no 0.159 0 0
1 144 LYS QD 58 no 100.0 0.0 0.000 0.003 0.003 10 6 no 0.067 0 0
1 144 LYS QE 67 no 85.0 99.0 0.300 0.304 0.003 9 8 no 0.093 0 0
1 144 LYS QG 43 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 145 LEU QB 13 no 30.0 95.4 0.081 0.085 0.004 20 4 no 0.187 0 0
1 145 LEU QD 7 no 100.0 99.4 1.370 1.378 0.009 28 8 no 0.260 0 0
1 146 ILE QG 19 no 100.0 97.5 0.458 0.470 0.012 18 6 no 0.216 0 0
1 147 GLU QB 98 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 147 GLU QG 21 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 149 TYR QB 28 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.000 0 0
1 150 LEU QB 9 no 100.0 100.0 1.424 1.424 0.000 26 9 no 0.000 0 0
1 150 LEU QD 2 no 100.0 100.0 0.429 0.429 0.000 34 13 no 0.000 0 0
1 151 LYS QB 4 no 100.0 99.5 0.485 0.487 0.002 30 16 no 0.045 0 0
1 151 LYS QD 3 no 100.0 95.3 0.399 0.419 0.020 33 18 no 0.184 0 0
1 151 LYS QE 11 no 100.0 99.7 1.026 1.030 0.003 22 20 no 0.055 0 0
1 151 LYS QG 5 no 15.0 0.0 0.000 0.002 0.002 30 20 no 0.045 0 0
1 152 ASP QB 68 no 25.0 80.6 0.008 0.010 0.002 8 0 no 0.130 0 0
1 153 HIS QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 154 PRO QB 96 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.000 0 0
1 154 PRO QD 27 no 100.0 0.0 0.000 0.000 0.000 15 8 no 0.000 0 0
1 154 PRO QG 25 no 100.0 99.7 0.258 0.259 0.001 16 10 no 0.055 0 0
1 155 ASP QB 39 no 95.0 75.7 0.032 0.043 0.010 12 2 no 0.704 0 2
1 157 TYR QB 48 no 40.0 68.6 0.052 0.076 0.024 11 5 no 0.429 0 0
1 158 ASN QB 42 no 95.0 99.9 1.205 1.206 0.001 12 6 no 0.102 0 0
1 158 ASN QD 20 yes 90.0 97.4 1.611 1.653 0.043 17 9 no 0.704 0 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 3, 2024 11:54:12 PM GMT (wattos1)