NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
654849 |
6lnz   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6lnz
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 272
_Distance_constraint_stats_list.Viol_count 843
_Distance_constraint_stats_list.Viol_total 5590.500
_Distance_constraint_stats_list.Viol_max 2.943
_Distance_constraint_stats_list.Viol_rms 0.3468
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0913
_Distance_constraint_stats_list.Viol_average_violations_only 0.4421
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 51.403 2.943 14 15 [**-**********+*]
1 2 DG 19.446 1.456 15 10 "[ **-* * ** **+]"
1 3 DG 13.626 0.623 2 2 "[ + -. 1 .]"
1 4 DG 7.188 0.288 4 0 "[ . 1 .]"
1 5 DG 2.766 0.205 9 0 "[ . 1 .]"
1 6 DC 0.000 0.000 . 0 "[ . 1 .]"
1 7 DG 17.506 1.173 2 8 "[ +* . - *****.]"
1 8 DG 4.821 0.637 3 1 "[ + . 1 .]"
1 9 DG 1.598 0.565 3 1 "[ + . 1 .]"
1 10 DC 12.620 2.031 12 8 "[ * * *- 1*+**.]"
1 11 DC 6.831 0.682 8 5 "[ * . + - * *.]"
1 12 DT 20.526 1.807 4 15 [***+-**********]
1 13 DT 22.663 1.849 5 7 "[ * + * 1****.]"
1 14 DG 23.486 1.642 5 14 "[****+****** *-*]"
1 15 DG 20.384 1.439 5 6 "[ +* *1*** .]"
1 16 DG 4.948 0.801 13 1 "[ . 1 + .]"
1 17 DC 27.513 2.262 13 15 [****-*******+**]
1 18 DG 14.720 0.846 2 15 [*+*************]
1 19 DG 19.060 0.720 5 15 [*-**+**********]
1 20 DG 7.497 0.479 6 0 "[ . 1 .]"
1 21 DG 109.706 2.383 3 15 [**+******-*****]
1 22 DT 114.694 2.557 15 15 [*****-********+]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DC H1' 1 1 DC H6 3.720 3.190 4.250 3.672 3.641 3.703 . 0 0 "[ . 1 .]" 1
2 1 1 DC H2' 1 1 DC H6 2.860 2.260 3.460 3.289 3.128 3.467 0.007 15 0 "[ . 1 .]" 1
3 1 1 DC H2'' 1 1 DC H6 4.200 3.390 5.010 4.476 4.390 4.558 . 0 0 "[ . 1 .]" 1
4 1 1 DC H3' 1 1 DC H6 3.240 2.640 3.840 3.816 3.659 3.869 0.029 2 0 "[ . 1 .]" 1
5 1 1 DC H4' 1 1 DC H6 4.300 3.500 5.100 4.266 4.232 4.308 . 0 0 "[ . 1 .]" 1
6 1 1 DC Q5' 1 1 DC H6 . 5.500 5.840 2.635 2.557 3.229 2.943 14 15 [**-**********+*] 1
7 1 1 DC H6 1 2 DG H8 5.260 4.060 6.460 5.830 5.321 6.672 0.212 14 0 "[ . 1 .]" 1
8 1 1 DC H1' 1 2 DG H8 5.360 4.160 6.560 4.935 4.541 5.505 . 0 0 "[ . 1 .]" 1
9 1 1 DC H2' 1 2 DG H8 2.810 2.010 3.610 2.875 2.370 3.442 . 0 0 "[ . 1 .]" 1
10 1 1 DC H2'' 1 2 DG H8 2.830 2.030 3.630 3.167 2.401 3.655 0.025 3 0 "[ . 1 .]" 1
11 1 1 DC H3' 1 2 DG H8 4.350 3.250 5.450 4.267 3.702 5.343 . 0 0 "[ . 1 .]" 1
12 1 1 DC H4' 1 2 DG H8 6.030 5.230 6.830 6.225 5.376 6.739 . 0 0 "[ . 1 .]" 1
13 1 1 DC Q5' 1 2 DG H8 . 4.830 5.420 5.944 5.466 6.876 1.456 15 8 "[ - * * ** **+]" 1
14 1 2 DG H1' 1 2 DG H8 3.840 3.140 4.540 3.844 3.760 3.921 . 0 0 "[ . 1 .]" 1
15 1 2 DG H2' 1 2 DG H8 3.250 2.750 3.750 3.360 2.757 3.705 . 0 0 "[ . 1 .]" 1
16 1 2 DG H2'' 1 2 DG H8 4.530 3.730 5.330 4.545 4.240 4.725 . 0 0 "[ . 1 .]" 1
17 1 2 DG H3' 1 2 DG H8 3.690 2.950 4.430 3.486 2.983 3.684 . 0 0 "[ . 1 .]" 1
18 1 2 DG H4' 1 2 DG H8 4.500 3.670 5.330 4.407 4.003 4.567 . 0 0 "[ . 1 .]" 1
19 1 2 DG H8 1 3 DG H8 5.730 4.930 6.530 6.124 5.631 6.417 . 0 0 "[ . 1 .]" 1
20 1 2 DG H8 1 18 DG H1' 4.670 3.870 5.470 5.198 4.932 5.928 0.458 2 0 "[ . 1 .]" 1
21 1 2 DG H1' 1 3 DG H8 4.150 3.350 4.950 4.661 3.695 5.225 0.275 12 0 "[ . 1 .]" 1
22 1 2 DG H2' 1 3 DG H8 2.610 2.110 3.110 2.818 2.646 3.311 0.201 11 0 "[ . 1 .]" 1
23 1 2 DG H2'' 1 3 DG H8 2.360 . 2.800 2.635 2.093 3.082 0.282 4 0 "[ . 1 .]" 1
24 1 2 DG H3' 1 3 DG H8 4.240 3.440 5.040 4.170 3.858 4.600 . 0 0 "[ . 1 .]" 1
25 1 2 DG H4' 1 3 DG H8 5.790 4.990 6.590 5.803 5.491 6.080 . 0 0 "[ . 1 .]" 1
26 1 2 DG Q5' 1 3 DG H8 . 5.190 5.630 5.839 5.590 6.143 0.513 4 1 "[ +. 1 .]" 1
27 1 13 DT H1' 1 13 DT H6 3.620 2.910 4.330 3.297 2.406 3.592 0.504 5 1 "[ + 1 .]" 1
28 1 13 DT Q2' 1 13 DT H6 3.650 3.450 4.270 3.755 3.353 4.197 0.097 4 0 "[ . 1 .]" 1
29 1 13 DT H3' 1 13 DT H6 4.510 3.800 5.220 5.027 4.057 5.611 0.391 5 0 "[ . 1 .]" 1
30 1 13 DT H4' 1 13 DT H6 4.190 3.490 4.890 4.238 3.871 4.563 . 0 0 "[ . 1 .]" 1
31 1 13 DT Q5' 1 13 DT H6 . 2.910 3.080 3.339 2.670 4.929 1.849 5 2 "[ + 1 - .]" 1
32 1 13 DT H6 1 14 DG H8 5.700 4.900 6.500 5.942 5.297 6.512 0.012 8 0 "[ . 1 .]" 1
33 1 13 DT H1' 1 14 DG H8 5.000 4.200 5.800 5.538 4.988 6.151 0.351 12 0 "[ . 1 .]" 1
34 1 13 DT Q2' 1 14 DG H8 . 2.910 2.970 2.867 2.253 4.612 1.642 5 4 "[ + * 1* -.]" 1
35 1 13 DT H3' 1 14 DG H8 3.110 2.490 3.730 2.735 2.035 3.592 0.455 9 0 "[ . 1 .]" 1
36 1 13 DT H4' 1 14 DG H8 5.340 4.550 6.130 5.196 4.284 5.742 0.266 5 0 "[ . 1 .]" 1
37 1 2 DG N3 1 3 DG C5 3.700 3.400 4.000 4.088 3.880 4.547 0.547 2 1 "[ + . 1 .]" 1
38 1 2 DG N1 1 3 DG N1 4.200 3.900 4.500 4.399 4.150 5.123 0.623 2 1 "[ + . 1 .]" 1
39 1 2 DG N7 1 18 DG N1 3.750 3.450 4.050 4.175 3.923 4.896 0.846 2 1 "[ + . 1 .]" 1
40 1 2 DG N9 1 18 DG N2 4.000 3.700 4.300 4.368 4.010 4.940 0.640 2 1 "[ + . 1 .]" 1
41 1 7 DG N2 1 13 DT C6 3.700 3.400 4.000 4.024 3.501 4.584 0.584 13 1 "[ . 1 + .]" 1
42 1 7 DG C6 1 13 DT O4 3.700 3.400 4.000 4.180 3.742 5.173 1.173 2 3 "[ + . 1- * .]" 1
43 1 13 DT O2 1 14 DG N7 4.000 3.700 4.300 4.410 4.009 5.095 0.795 2 2 "[ + . 1 - .]" 1
44 1 10 DC H1' 1 10 DC H6 3.700 3.060 4.340 3.567 3.101 3.781 . 0 0 "[ . 1 .]" 1
45 1 10 DC H3' 1 10 DC H6 4.370 3.530 5.210 4.638 4.050 5.422 0.212 13 0 "[ . 1 .]" 1
46 1 10 DC H4' 1 10 DC H6 3.930 3.130 4.730 4.094 3.625 4.819 0.089 12 0 "[ . 1 .]" 1
47 1 10 DC Q5' 1 10 DC H6 . 2.220 2.400 3.112 1.828 4.431 2.031 12 8 "[ * * *- 1*+**.]" 1
48 1 21 DG H1' 1 21 DG H8 3.880 3.090 4.670 3.880 3.761 3.921 . 0 0 "[ . 1 .]" 1
49 1 21 DG Q2' 1 21 DG H8 . 3.450 3.600 3.014 2.600 3.723 0.850 6 6 "[ - *+ *1** .]" 1
50 1 21 DG H3' 1 21 DG H8 4.720 3.910 5.530 3.783 2.666 4.542 1.244 4 2 "[ +. - 1 .]" 1
51 1 21 DG H4' 1 21 DG H8 4.800 3.980 5.620 4.598 4.194 4.902 . 0 0 "[ . 1 .]" 1
52 1 21 DG Q5' 1 21 DG H8 . 4.620 4.800 3.242 2.592 4.117 2.028 4 15 [***+*****-*****] 1
53 1 22 DT H1' 1 22 DT H6 3.740 2.980 4.500 3.676 3.309 3.747 . 0 0 "[ . 1 .]" 1
54 1 22 DT H3' 1 22 DT H6 3.250 2.520 3.980 3.421 2.002 4.301 0.518 9 1 "[ . +1 .]" 1
55 1 22 DT H4' 1 22 DT H6 4.250 3.520 4.980 4.262 3.913 4.396 . 0 0 "[ . 1 .]" 1
56 1 22 DT Q5' 1 22 DT H6 5.250 5.120 5.980 2.755 2.563 3.618 2.557 15 15 [********-*****+] 1
57 1 21 DG H1' 1 22 DT H6 5.760 4.960 6.560 5.166 4.234 5.903 0.726 8 2 "[ .- + 1 .]" 1
58 1 21 DG Q2' 1 22 DT H6 . 4.760 5.330 3.691 2.995 4.539 1.765 11 14 "[*******-**+ ***]" 1
59 1 21 DG H3' 1 22 DT H6 3.850 3.120 4.580 5.956 4.917 6.725 2.145 7 14 "[-*****+*** ****]" 1
60 1 21 DG H4' 1 22 DT H6 4.440 3.710 5.170 6.447 3.877 7.553 2.383 3 10 "[ *+*. * **- ***]" 1
61 1 21 DG Q5' 1 22 DT H6 . 5.310 5.940 7.153 5.662 8.106 2.166 13 14 "[*****-* ****+**]" 1
62 1 21 DG H8 1 22 DT H6 6.230 4.730 7.730 7.515 6.930 8.296 0.566 12 1 "[ . 1 + .]" 1
63 1 3 DG H1' 1 3 DG H8 3.910 3.200 4.620 3.919 3.915 3.924 . 0 0 "[ . 1 .]" 1
64 1 3 DG H2' 1 3 DG H8 2.470 2.070 2.870 2.662 2.584 2.697 . 0 0 "[ . 1 .]" 1
65 1 3 DG H2'' 1 3 DG H8 4.050 3.300 4.800 4.183 4.135 4.207 . 0 0 "[ . 1 .]" 1
66 1 3 DG H3' 1 3 DG H8 3.270 2.670 3.870 3.364 3.277 3.456 . 0 0 "[ . 1 .]" 1
67 1 3 DG H4' 1 3 DG H8 4.900 4.100 5.700 4.818 4.762 4.896 . 0 0 "[ . 1 .]" 1
68 1 3 DG Q5' 1 3 DG H8 4.780 4.350 5.390 4.229 4.086 4.395 0.264 1 0 "[ . 1 .]" 1
69 1 4 DG H1' 1 4 DG H8 3.880 3.170 4.590 3.895 3.892 3.901 . 0 0 "[ . 1 .]" 1
70 1 4 DG H2' 1 4 DG H8 3.060 2.540 3.580 3.016 2.987 3.049 . 0 0 "[ . 1 .]" 1
71 1 4 DG H2'' 1 4 DG H8 4.420 3.620 5.220 4.405 4.394 4.416 . 0 0 "[ . 1 .]" 1
72 1 4 DG H3' 1 4 DG H8 3.350 2.650 4.050 3.422 3.270 3.527 . 0 0 "[ . 1 .]" 1
73 1 4 DG H4' 1 4 DG H8 4.700 3.900 5.500 4.710 4.677 4.750 . 0 0 "[ . 1 .]" 1
74 1 4 DG Q5' 1 4 DG H8 4.530 4.040 5.330 4.092 4.041 4.152 . 0 0 "[ . 1 .]" 1
75 1 5 DG H1' 1 5 DG H8 3.810 3.110 4.510 3.846 3.830 3.881 . 0 0 "[ . 1 .]" 1
76 1 5 DG H2' 1 5 DG H8 3.250 2.510 3.990 3.175 2.919 3.270 . 0 0 "[ . 1 .]" 1
77 1 5 DG H2'' 1 5 DG H8 4.550 3.750 5.350 4.508 4.251 4.572 . 0 0 "[ . 1 .]" 1
78 1 5 DG H3' 1 5 DG H8 4.250 3.410 5.090 4.320 4.251 4.759 . 0 0 "[ . 1 .]" 1
79 1 5 DG H4' 1 5 DG H8 4.400 3.560 5.240 4.554 4.514 4.603 . 0 0 "[ . 1 .]" 1
80 1 5 DG H5' 1 5 DG H8 4.240 3.440 5.040 4.461 4.362 4.559 . 0 0 "[ . 1 .]" 1
81 1 5 DG H5'' 1 5 DG H8 2.560 2.060 3.060 2.772 2.640 2.880 . 0 0 "[ . 1 .]" 1
82 1 6 DC H1' 1 6 DC H6 3.770 3.060 4.480 3.646 3.631 3.701 . 0 0 "[ . 1 .]" 1
83 1 6 DC H2' 1 6 DC H6 3.110 2.610 3.610 3.310 2.849 3.440 . 0 0 "[ . 1 .]" 1
84 1 6 DC H2'' 1 6 DC H6 4.040 3.440 4.640 4.503 4.199 4.564 . 0 0 "[ . 1 .]" 1
85 1 6 DC H3' 1 6 DC H6 3.760 3.160 4.360 4.178 3.834 4.258 . 0 0 "[ . 1 .]" 1
86 1 6 DC H4' 1 6 DC H6 4.400 3.620 5.180 4.274 4.202 4.289 . 0 0 "[ . 1 .]" 1
87 1 6 DC H5' 1 6 DC H6 4.760 4.160 5.360 4.393 4.327 4.656 . 0 0 "[ . 1 .]" 1
88 1 7 DG H1' 1 7 DG H8 3.880 3.180 4.580 3.827 3.818 3.853 . 0 0 "[ . 1 .]" 1
89 1 7 DG H2' 1 7 DG H8 2.800 2.300 3.300 3.272 3.166 3.302 0.002 10 0 "[ . 1 .]" 1
90 1 7 DG H2'' 1 7 DG H8 4.250 3.550 4.950 4.571 4.509 4.589 . 0 0 "[ . 1 .]" 1
91 1 7 DG H3' 1 7 DG H8 4.110 3.320 4.900 4.314 4.157 4.376 . 0 0 "[ . 1 .]" 1
92 1 7 DG H4' 1 7 DG H8 4.690 3.880 5.500 4.468 4.442 4.576 . 0 0 "[ . 1 .]" 1
93 1 7 DG H5'' 1 7 DG H8 3.240 2.640 3.840 4.343 4.245 4.535 0.695 3 6 "[ + . - *** *.]" 1
94 1 7 DG H5' 1 7 DG H8 3.800 3.100 4.500 3.377 3.303 3.673 . 0 0 "[ . 1 .]" 1
95 1 8 DG H1' 1 8 DG H8 3.860 3.180 4.540 3.841 3.819 3.855 . 0 0 "[ . 1 .]" 1
96 1 8 DG H2' 1 8 DG H8 3.130 2.610 3.650 3.315 3.250 3.447 . 0 0 "[ . 1 .]" 1
97 1 8 DG H2'' 1 8 DG H8 4.470 3.750 5.190 4.588 4.554 4.651 . 0 0 "[ . 1 .]" 1
98 1 8 DG H3' 1 8 DG H8 4.230 3.430 5.030 3.856 3.720 3.997 . 0 0 "[ . 1 .]" 1
99 1 8 DG H4' 1 8 DG H8 4.830 4.030 5.630 4.623 4.589 4.656 . 0 0 "[ . 1 .]" 1
100 1 9 DG H1' 1 9 DG H8 3.850 3.110 4.590 3.716 3.584 3.779 . 0 0 "[ . 1 .]" 1
101 1 9 DG H2' 1 9 DG H8 3.550 2.850 4.250 4.003 3.765 4.222 . 0 0 "[ . 1 .]" 1
102 1 9 DG H2'' 1 9 DG H8 4.430 3.630 5.230 4.795 4.670 4.899 . 0 0 "[ . 1 .]" 1
103 1 9 DG H3' 1 9 DG H8 3.340 2.940 3.740 3.589 2.375 4.175 0.565 3 1 "[ + . 1 .]" 1
104 1 9 DG H4' 1 9 DG H8 4.180 3.380 4.980 4.407 4.339 4.490 . 0 0 "[ . 1 .]" 1
105 1 11 DC H1' 1 11 DC H6 3.680 2.960 4.400 3.603 3.258 3.792 . 0 0 "[ . 1 .]" 1
106 1 11 DC H3' 1 11 DC H6 4.680 3.960 5.400 4.184 3.442 4.678 0.518 8 1 "[ . + 1 .]" 1
107 1 11 DC H4' 1 11 DC H6 5.030 4.630 5.430 4.243 3.948 4.627 0.682 8 5 "[ * . + - * *.]" 1
108 1 12 DT H1' 1 12 DT H6 3.630 2.910 4.350 3.649 3.410 3.767 . 0 0 "[ . 1 .]" 1
109 1 12 DT H2' 1 12 DT H6 2.910 2.430 3.390 3.127 2.601 4.031 0.641 5 1 "[ + 1 .]" 1
110 1 12 DT H2'' 1 12 DT H6 4.230 3.530 4.930 4.325 3.863 4.796 . 0 0 "[ . 1 .]" 1
111 1 12 DT H3' 1 12 DT H6 4.600 3.880 5.320 4.355 3.780 4.977 0.100 2 0 "[ . 1 .]" 1
112 1 12 DT H4' 1 12 DT H6 5.910 5.430 6.390 4.162 3.623 4.569 1.807 4 15 [***+******-****] 1
113 1 14 DG H1' 1 14 DG H8 3.900 3.140 4.660 3.895 3.881 3.911 . 0 0 "[ . 1 .]" 1
114 1 14 DG H3' 1 14 DG H8 3.540 2.840 4.240 3.663 3.555 3.857 . 0 0 "[ . 1 .]" 1
115 1 14 DG H4' 1 14 DG H8 4.830 4.030 5.630 4.677 4.585 5.083 . 0 0 "[ . 1 .]" 1
116 1 14 DG Q5' 1 14 DG H8 . 3.430 3.640 3.016 2.639 4.765 1.125 13 13 "[* ***-***** +**]" 1
117 1 15 DG H1' 1 15 DG H8 3.860 3.260 4.460 3.818 3.728 3.905 . 0 0 "[ . 1 .]" 1
118 1 15 DG Q2' 1 15 DG H8 . 3.620 3.660 3.311 2.824 3.687 0.796 13 4 "[ -* 1 *+ .]" 1
119 1 15 DG H3' 1 15 DG H8 3.140 2.540 3.740 4.137 3.737 4.844 1.104 6 4 "[ *+ *1- .]" 1
120 1 15 DG H4' 1 15 DG H8 4.640 3.840 5.440 4.735 4.459 5.126 . 0 0 "[ . 1 .]" 1
121 1 15 DG Q5' 1 15 DG H8 4.220 4.130 5.020 4.243 2.691 4.781 1.439 5 2 "[ +- 1 .]" 1
122 1 16 DG H1' 1 16 DG H8 3.860 3.150 4.570 3.819 3.726 3.873 . 0 0 "[ . 1 .]" 1
123 1 16 DG H2' 1 16 DG H8 2.950 2.450 3.450 3.236 2.964 3.797 0.347 13 0 "[ . 1 .]" 1
124 1 16 DG H2'' 1 16 DG H8 4.370 3.540 5.200 4.513 4.344 4.799 . 0 0 "[ . 1 .]" 1
125 1 16 DG H3' 1 16 DG H8 4.490 3.790 5.190 4.202 3.854 4.362 . 0 0 "[ . 1 .]" 1
126 1 16 DG H4' 1 16 DG H8 4.710 3.910 5.510 4.469 4.217 4.631 . 0 0 "[ . 1 .]" 1
127 1 16 DG H5' 1 16 DG H8 5.200 4.400 6.000 4.655 4.361 5.001 0.039 4 0 "[ . 1 .]" 1
128 1 16 DG H5'' 1 16 DG H8 3.040 2.440 3.640 3.043 2.695 3.535 . 0 0 "[ . 1 .]" 1
129 1 17 DC H1' 1 17 DC H6 3.700 2.980 4.420 3.649 3.631 3.728 . 0 0 "[ . 1 .]" 1
130 1 17 DC H2' 1 17 DC H6 3.000 2.420 3.580 3.297 2.799 3.398 . 0 0 "[ . 1 .]" 1
131 1 17 DC H2'' 1 17 DC H6 4.290 3.490 5.090 4.484 4.147 4.551 . 0 0 "[ . 1 .]" 1
132 1 17 DC H3' 1 17 DC H6 4.240 3.660 4.820 4.074 3.539 4.226 0.121 13 0 "[ . 1 .]" 1
133 1 17 DC H4' 1 17 DC H6 4.990 4.190 5.790 4.257 4.043 4.309 0.147 13 0 "[ . 1 .]" 1
134 1 17 DC Q5' 1 17 DC H6 4.610 4.490 5.190 2.679 2.228 3.072 2.262 13 15 [****-*******+**] 1
135 1 18 DG H1' 1 18 DG H8 3.870 3.170 4.570 3.844 3.826 3.860 . 0 0 "[ . 1 .]" 1
136 1 18 DG H2' 1 18 DG H8 3.030 2.200 3.860 3.260 3.195 3.323 . 0 0 "[ . 1 .]" 1
137 1 18 DG H2'' 1 18 DG H8 4.420 3.620 5.220 4.563 4.525 4.600 . 0 0 "[ . 1 .]" 1
138 1 18 DG H3' 1 18 DG H8 3.790 3.090 4.490 3.938 3.821 4.062 . 0 0 "[ . 1 .]" 1
139 1 18 DG H4' 1 18 DG H8 4.620 3.820 5.420 4.658 4.630 4.687 . 0 0 "[ . 1 .]" 1
140 1 18 DG Q5' 1 18 DG H8 3.960 3.730 4.710 3.835 3.741 4.223 . 0 0 "[ . 1 .]" 1
141 1 19 DG H1' 1 19 DG H8 3.910 3.200 4.620 3.898 3.891 3.902 . 0 0 "[ . 1 .]" 1
142 1 19 DG H2' 1 19 DG H8 2.810 2.310 3.310 2.965 2.947 3.007 . 0 0 "[ . 1 .]" 1
143 1 19 DG H2'' 1 19 DG H8 4.280 3.440 5.120 4.382 4.371 4.409 . 0 0 "[ . 1 .]" 1
144 1 19 DG H3' 1 19 DG H8 3.720 3.020 4.420 3.550 3.476 3.611 . 0 0 "[ . 1 .]" 1
145 1 19 DG H4' 1 19 DG H8 4.810 3.990 5.630 4.727 4.693 4.749 . 0 0 "[ . 1 .]" 1
146 1 19 DG Q5' 1 19 DG H8 4.390 4.100 5.190 4.021 3.954 4.049 0.146 12 0 "[ . 1 .]" 1
147 1 20 DG H1' 1 20 DG H8 3.880 3.180 4.580 3.906 3.903 3.908 . 0 0 "[ . 1 .]" 1
148 1 20 DG H2' 1 20 DG H8 3.070 2.470 3.670 2.951 2.894 2.983 . 0 0 "[ . 1 .]" 1
149 1 20 DG H2'' 1 20 DG H8 4.420 3.620 5.220 4.361 4.336 4.377 . 0 0 "[ . 1 .]" 1
150 1 20 DG H3' 1 20 DG H8 3.330 2.710 3.950 3.327 3.232 3.437 . 0 0 "[ . 1 .]" 1
151 1 20 DG H4' 1 20 DG H8 4.680 3.780 5.580 4.683 4.646 4.712 . 0 0 "[ . 1 .]" 1
152 1 20 DG H5' 1 20 DG H8 4.300 3.500 5.100 4.260 4.206 4.289 . 0 0 "[ . 1 .]" 1
153 1 20 DG H5'' 1 20 DG H8 4.890 4.030 5.750 4.735 4.646 4.801 . 0 0 "[ . 1 .]" 1
154 1 3 DG N9 1 4 DG C8 3.720 3.420 4.020 4.055 4.025 4.081 0.061 6 0 "[ . 1 .]" 1
155 1 3 DG N3 1 4 DG C4 3.540 3.240 3.840 3.806 3.757 3.852 0.012 9 0 "[ . 1 .]" 1
156 1 3 DG C6 1 4 DG C6 3.800 3.500 4.100 3.871 3.850 3.935 . 0 0 "[ . 1 .]" 1
157 1 3 DG N7 1 19 DG N2 4.290 3.990 4.590 4.018 3.956 4.153 0.034 8 0 "[ . 1 .]" 1
158 1 7 DG N9 1 8 DG H8 3.700 3.400 4.000 4.034 4.018 4.047 0.047 5 0 "[ . 1 .]" 1
159 1 7 DG N3 1 8 DG N9 3.560 3.260 3.860 3.871 3.844 3.897 0.037 4 0 "[ . 1 .]" 1
160 1 7 DG C6 1 8 DG C6 3.650 3.350 3.950 3.654 3.501 3.884 . 0 0 "[ . 1 .]" 1
161 1 4 DG N2 1 7 DG N7 3.780 3.480 4.080 3.766 3.652 4.009 . 0 0 "[ . 1 .]" 1
162 1 14 DG N9 1 15 DG H8 3.720 3.420 4.020 4.053 4.040 4.065 0.045 7 0 "[ . 1 .]" 1
163 1 14 DG N3 1 15 DG N9 3.650 3.350 3.950 3.945 3.922 3.958 0.008 10 0 "[ . 1 .]" 1
164 1 14 DG N1 1 15 DG C6 3.550 3.250 3.850 3.850 3.817 3.860 0.010 11 0 "[ . 1 .]" 1
165 1 8 DG N2 1 14 DG N7 3.580 3.280 3.880 3.732 3.593 3.852 . 0 0 "[ . 1 .]" 1
166 1 15 DG N2 1 18 DG N7 3.600 3.300 3.900 3.879 3.794 3.908 0.008 4 0 "[ . 1 .]" 1
167 1 18 DG C4 1 19 DG N7 3.680 3.380 3.980 3.966 3.904 3.999 0.019 12 0 "[ . 1 .]" 1
168 1 18 DG N2 1 19 DG C2 3.770 3.470 4.070 4.023 3.900 4.093 0.023 13 0 "[ . 1 .]" 1
169 1 18 DG C6 1 19 DG O6 3.640 3.340 3.940 3.937 3.885 3.955 0.015 8 0 "[ . 1 .]" 1
170 1 4 DG C4 1 5 DG N7 3.600 3.300 3.900 3.923 3.908 3.947 0.047 3 0 "[ . 1 .]" 1
171 1 4 DG N3 1 5 DG N9 3.800 3.500 4.100 4.100 4.020 4.120 0.020 14 0 "[ . 1 .]" 1
172 1 4 DG N2 1 5 DG N3 3.760 3.460 4.060 4.001 3.904 4.055 . 0 0 "[ . 1 .]" 1
173 1 4 DG N7 1 20 DG N2 3.600 3.300 3.900 3.900 3.821 3.918 0.018 9 0 "[ . 1 .]" 1
174 1 8 DG N3 1 9 DG C8 3.600 3.300 3.900 3.745 3.597 3.888 . 0 0 "[ . 1 .]" 1
175 1 8 DG N2 1 9 DG C4 3.650 3.350 3.950 3.719 3.593 3.876 . 0 0 "[ . 1 .]" 1
176 1 5 DG H1 1 8 DG O6 3.730 3.430 4.030 3.630 3.481 3.784 . 0 0 "[ . 1 .]" 1
177 1 5 DG N2 1 8 DG N7 3.730 3.430 4.030 3.877 3.744 4.001 . 0 0 "[ . 1 .]" 1
178 1 15 DG N3 1 16 DG C8 3.600 3.300 3.900 3.841 3.624 3.912 0.012 13 0 "[ . 1 .]" 1
179 1 15 DG N2 1 16 DG C4 3.700 3.400 4.000 3.795 3.532 3.907 . 0 0 "[ . 1 .]" 1
180 1 9 DG N1 1 15 DG O6 3.650 3.350 3.950 3.787 3.574 3.955 0.005 13 0 "[ . 1 .]" 1
181 1 9 DG N2 1 15 DG N7 3.580 3.280 3.880 3.590 3.300 3.881 0.001 13 0 "[ . 1 .]" 1
182 1 19 DG C4 1 20 DG N7 3.630 3.330 3.930 3.882 3.777 3.927 . 0 0 "[ . 1 .]" 1
183 1 19 DG N2 1 20 DG N3 3.630 3.330 3.930 3.938 3.818 3.953 0.023 13 0 "[ . 1 .]" 1
184 1 19 DG C6 1 20 DG O6 3.700 3.400 4.000 3.648 3.534 3.743 . 0 0 "[ . 1 .]" 1
185 1 16 DG N2 1 19 DG N7 3.600 3.300 3.900 3.712 3.446 3.846 . 0 0 "[ . 1 .]" 1
186 1 3 DG H8 1 4 DG H8 4.810 4.510 5.110 4.912 4.786 4.977 . 0 0 "[ . 1 .]" 1
187 1 4 DG H8 1 5 DG H8 5.200 4.900 5.500 4.920 4.883 4.990 0.017 9 0 "[ . 1 .]" 1
188 1 7 DG H8 1 8 DG H8 4.610 4.310 4.910 4.888 4.831 4.922 0.012 9 0 "[ . 1 .]" 1
189 1 8 DG H8 1 9 DG H8 5.460 5.160 5.760 5.289 5.210 5.387 . 0 0 "[ . 1 .]" 1
190 1 14 DG H8 1 15 DG H8 4.960 4.660 5.260 5.172 5.047 5.242 . 0 0 "[ . 1 .]" 1
191 1 15 DG H8 1 16 DG H8 5.550 5.250 5.850 5.578 5.449 5.643 . 0 0 "[ . 1 .]" 1
192 1 18 DG H8 1 19 DG H8 5.280 4.980 5.580 5.584 5.537 5.600 0.020 6 0 "[ . 1 .]" 1
193 1 19 DG H8 1 20 DG H8 5.010 4.710 5.310 5.339 5.329 5.351 0.041 12 0 "[ . 1 .]" 1
194 1 3 DG H1 1 7 DG H1 4.660 4.360 4.960 4.684 4.676 4.695 . 0 0 "[ . 1 .]" 1
195 1 7 DG H1 1 14 DG H1 4.650 4.350 4.950 4.676 4.664 4.689 . 0 0 "[ . 1 .]" 1
196 1 14 DG H1 1 18 DG H1 4.100 3.800 4.400 4.234 4.216 4.246 . 0 0 "[ . 1 .]" 1
197 1 3 DG H1 1 18 DG H1 4.710 4.410 5.010 4.777 4.760 4.801 . 0 0 "[ . 1 .]" 1
198 1 4 DG H1 1 8 DG H1 4.170 3.870 4.470 4.346 4.325 4.372 . 0 0 "[ . 1 .]" 1
199 1 8 DG H1 1 15 DG H1 4.430 4.130 4.730 4.363 4.297 4.415 . 0 0 "[ . 1 .]" 1
200 1 15 DG H1 1 19 DG H1 4.210 3.910 4.510 4.303 4.262 4.331 . 0 0 "[ . 1 .]" 1
201 1 4 DG H1 1 19 DG H1 4.310 4.010 4.610 4.410 4.339 4.441 . 0 0 "[ . 1 .]" 1
202 1 5 DG H1 1 9 DG H1 4.280 3.980 4.580 4.378 4.358 4.399 . 0 0 "[ . 1 .]" 1
203 1 9 DG H1 1 16 DG H1 4.440 4.140 4.740 4.471 4.360 4.535 . 0 0 "[ . 1 .]" 1
204 1 16 DG H1 1 20 DG H1 4.360 4.060 4.660 4.417 4.399 4.447 . 0 0 "[ . 1 .]" 1
205 1 5 DG H1 1 20 DG H1 4.240 3.940 4.540 4.372 4.290 4.427 . 0 0 "[ . 1 .]" 1
206 1 3 DG H1 1 7 DG H8 4.180 3.880 4.480 4.509 4.502 4.525 0.045 3 0 "[ . 1 .]" 1
207 1 7 DG H1 1 14 DG H8 4.260 3.960 4.560 4.544 4.496 4.567 0.007 8 0 "[ . 1 .]" 1
208 1 14 DG H1 1 18 DG H8 5.170 4.870 5.470 5.321 5.265 5.370 . 0 0 "[ . 1 .]" 1
209 1 3 DG H8 1 18 DG H1 4.530 4.230 4.830 4.676 4.611 4.720 . 0 0 "[ . 1 .]" 1
210 1 4 DG H1 1 8 DG H8 5.710 5.410 6.010 5.521 5.457 5.588 . 0 0 "[ . 1 .]" 1
211 1 8 DG H1 1 15 DG H8 5.480 5.180 5.780 5.590 5.541 5.648 . 0 0 "[ . 1 .]" 1
212 1 15 DG H1 1 19 DG H8 5.610 5.310 5.910 5.584 5.531 5.656 . 0 0 "[ . 1 .]" 1
213 1 4 DG H8 1 19 DG H1 5.360 5.060 5.660 5.522 5.471 5.581 . 0 0 "[ . 1 .]" 1
214 1 5 DG H1 1 9 DG H8 5.260 4.960 5.560 5.349 5.260 5.425 . 0 0 "[ . 1 .]" 1
215 1 9 DG H1 1 16 DG H8 5.470 5.170 5.770 5.401 5.301 5.484 . 0 0 "[ . 1 .]" 1
216 1 16 DG H1 1 20 DG H8 4.970 4.670 5.270 5.179 5.071 5.267 . 0 0 "[ . 1 .]" 1
217 1 5 DG H8 1 20 DG H1 5.550 5.250 5.850 5.452 5.361 5.589 . 0 0 "[ . 1 .]" 1
218 1 3 DG H1 1 4 DG H1 3.700 3.400 4.000 3.694 3.609 3.770 . 0 0 "[ . 1 .]" 1
219 1 4 DG H1 1 5 DG H1 4.000 3.700 4.300 3.852 3.739 3.909 . 0 0 "[ . 1 .]" 1
220 1 7 DG H1 1 8 DG H1 3.950 3.650 4.250 3.945 3.780 4.214 . 0 0 "[ . 1 .]" 1
221 1 8 DG H1 1 9 DG H1 4.080 3.780 4.380 4.239 4.166 4.340 . 0 0 "[ . 1 .]" 1
222 1 14 DG H1 1 15 DG H1 4.000 3.700 4.300 4.118 4.036 4.174 . 0 0 "[ . 1 .]" 1
223 1 15 DG H1 1 16 DG H1 4.170 3.870 4.470 4.380 4.252 4.460 . 0 0 "[ . 1 .]" 1
224 1 18 DG H1 1 19 DG H1 3.700 3.400 4.000 3.997 3.899 4.024 0.024 6 0 "[ . 1 .]" 1
225 1 19 DG H1 1 20 DG H1 3.800 3.500 4.100 3.697 3.564 3.826 . 0 0 "[ . 1 .]" 1
226 1 3 DG H1' 1 4 DG H8 3.870 3.170 4.570 4.173 4.123 4.209 . 0 0 "[ . 1 .]" 1
227 1 3 DG H2' 1 4 DG H8 2.500 . 3.000 2.620 2.588 2.656 . 0 0 "[ . 1 .]" 1
228 1 3 DG H2'' 1 4 DG H8 2.880 2.280 3.480 2.578 2.546 2.603 . 0 0 "[ . 1 .]" 1
229 1 3 DG H3' 1 4 DG H8 4.490 3.790 5.190 4.506 4.461 4.563 . 0 0 "[ . 1 .]" 1
230 1 3 DG H4' 1 4 DG H8 5.720 4.920 6.520 5.886 5.834 5.933 . 0 0 "[ . 1 .]" 1
231 1 3 DG Q5' 1 4 DG H8 5.490 5.320 6.190 6.441 6.405 6.478 0.288 4 0 "[ . 1 .]" 1
232 1 4 DG H1' 1 5 DG H8 4.570 3.850 5.290 4.658 4.581 4.723 . 0 0 "[ . 1 .]" 1
233 1 4 DG H2' 1 5 DG H8 2.730 2.230 3.230 2.598 2.513 2.677 . 0 0 "[ . 1 .]" 1
234 1 4 DG H2'' 1 5 DG H8 3.060 2.600 3.520 3.308 3.214 3.396 . 0 0 "[ . 1 .]" 1
235 1 4 DG H3' 1 5 DG H8 4.690 3.890 5.490 4.587 4.517 4.678 . 0 0 "[ . 1 .]" 1
236 1 4 DG H4' 1 5 DG H8 6.050 5.250 6.850 6.340 6.247 6.425 . 0 0 "[ . 1 .]" 1
237 1 4 DG Q5' 1 5 DG H8 5.690 5.550 6.490 6.639 6.590 6.695 0.205 9 0 "[ . 1 .]" 1
238 1 7 DG H1' 1 8 DG H8 4.810 4.110 5.510 4.849 4.809 4.871 . 0 0 "[ . 1 .]" 1
239 1 7 DG H2' 1 8 DG H8 2.460 . 2.940 2.433 2.408 2.524 . 0 0 "[ . 1 .]" 1
240 1 7 DG H2'' 1 8 DG H8 2.890 2.490 3.290 3.304 3.294 3.317 0.027 6 0 "[ . 1 .]" 1
241 1 7 DG H3' 1 8 DG H8 4.280 3.480 5.080 4.173 4.122 4.348 . 0 0 "[ . 1 .]" 1
242 1 7 DG H4' 1 8 DG H8 6.020 5.220 6.820 6.368 6.337 6.456 . 0 0 "[ . 1 .]" 1
243 1 7 DG H5'' 1 8 DG H8 5.280 4.480 6.080 6.338 6.228 6.717 0.637 3 1 "[ + . 1 .]" 1
244 1 7 DG H5' 1 8 DG H8 6.330 5.530 7.130 6.735 6.628 7.059 . 0 0 "[ . 1 .]" 1
245 1 8 DG H1' 1 9 DG H8 4.730 3.920 5.540 4.628 4.509 4.813 . 0 0 "[ . 1 .]" 1
246 1 8 DG H2' 1 9 DG H8 3.270 2.540 4.000 2.641 2.601 2.675 . 0 0 "[ . 1 .]" 1
247 1 8 DG H2'' 1 9 DG H8 3.260 2.740 3.780 3.241 3.080 3.492 . 0 0 "[ . 1 .]" 1
248 1 8 DG H3' 1 9 DG H8 4.360 3.560 5.160 4.602 4.557 4.672 . 0 0 "[ . 1 .]" 1
249 1 8 DG H4' 1 9 DG H8 6.680 5.880 7.480 6.411 6.353 6.499 . 0 0 "[ . 1 .]" 1
250 1 8 DG Q5' 1 9 DG H8 . 5.560 6.160 6.029 5.979 6.072 . 0 0 "[ . 1 .]" 1
251 1 14 DG H1' 1 15 DG H8 4.180 3.480 4.880 4.034 3.664 4.122 . 0 0 "[ . 1 .]" 1
252 1 14 DG Q2' 1 15 DG H8 2.560 2.130 2.910 2.354 2.261 3.100 0.190 13 0 "[ . 1 .]" 1
253 1 14 DG H3' 1 15 DG H8 4.560 3.760 5.360 4.615 4.415 6.028 0.668 13 1 "[ . 1 + .]" 1
254 1 14 DG H4' 1 15 DG H8 5.660 4.860 6.460 5.972 5.666 6.059 . 0 0 "[ . 1 .]" 1
255 1 14 DG Q5' 1 15 DG H8 . 5.860 6.360 6.015 5.784 6.994 0.634 13 1 "[ . 1 + .]" 1
256 1 15 DG H1' 1 16 DG H8 3.740 3.080 4.400 4.307 3.626 4.614 0.214 15 0 "[ . 1 .]" 1
257 1 15 DG Q2' 1 16 DG H8 2.320 . 2.640 2.474 2.214 3.046 0.406 13 0 "[ . 1 .]" 1
258 1 15 DG H3' 1 16 DG H8 4.340 3.540 5.140 4.882 4.292 5.941 0.801 13 1 "[ . 1 + .]" 1
259 1 15 DG H4' 1 16 DG H8 5.350 4.550 6.150 6.049 5.802 6.604 0.454 6 0 "[ . 1 .]" 1
260 1 15 DG Q5' 1 16 DG H8 5.840 5.100 6.640 6.471 5.821 7.272 0.632 13 1 "[ . 1 + .]" 1
261 1 18 DG H1' 1 19 DG H8 4.460 3.610 5.310 4.599 4.524 4.670 . 0 0 "[ . 1 .]" 1
262 1 18 DG H2' 1 19 DG H8 2.550 2.050 3.050 2.592 2.544 2.626 . 0 0 "[ . 1 .]" 1
263 1 18 DG H2'' 1 19 DG H8 2.560 2.160 2.960 2.760 2.714 2.833 . 0 0 "[ . 1 .]" 1
264 1 18 DG H3' 1 19 DG H8 4.090 3.290 4.890 4.231 4.140 4.316 . 0 0 "[ . 1 .]" 1
265 1 18 DG H4' 1 19 DG H8 5.600 4.800 6.400 6.039 5.978 6.063 . 0 0 "[ . 1 .]" 1
266 1 18 DG Q5' 1 19 DG H8 . 5.120 5.690 6.355 6.287 6.410 0.720 5 15 [*-**+**********] 1
267 1 19 DG H1' 1 20 DG H8 4.000 3.370 4.630 4.394 4.314 4.444 . 0 0 "[ . 1 .]" 1
268 1 19 DG H2' 1 20 DG H8 2.690 2.270 3.110 2.638 2.596 2.665 . 0 0 "[ . 1 .]" 1
269 1 19 DG H2'' 1 20 DG H8 2.460 2.040 2.880 2.646 2.601 2.678 . 0 0 "[ . 1 .]" 1
270 1 19 DG H3' 1 20 DG H8 4.580 3.780 5.380 4.400 4.323 4.448 . 0 0 "[ . 1 .]" 1
271 1 19 DG H4' 1 20 DG H8 5.620 4.820 6.420 5.930 5.888 5.951 . 0 0 "[ . 1 .]" 1
272 1 19 DG Q5' 1 20 DG H8 5.180 5.130 5.980 6.429 6.375 6.459 0.479 6 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 53
_Distance_constraint_stats_list.Viol_count 426
_Distance_constraint_stats_list.Viol_total 328.466
_Distance_constraint_stats_list.Viol_max 0.912
_Distance_constraint_stats_list.Viol_rms 0.0859
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0275
_Distance_constraint_stats_list.Viol_average_violations_only 0.0514
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 DG 11.815 0.912 12 4 "[ *. 1-+ *.]"
1 3 DG 2.503 0.066 8 0 "[ . 1 .]"
1 4 DG 1.187 0.041 13 0 "[ . 1 .]"
1 5 DG 1.182 0.063 5 0 "[ . 1 .]"
1 7 DG 2.478 0.066 8 0 "[ . 1 .]"
1 8 DG 1.249 0.041 13 0 "[ . 1 .]"
1 9 DG 0.992 0.055 8 0 "[ . 1 .]"
1 13 DT 11.815 0.912 12 4 "[ *. 1-+ *.]"
1 14 DG 2.819 0.075 1 0 "[ . 1 .]"
1 15 DG 1.302 0.077 2 0 "[ . 1 .]"
1 16 DG 1.090 0.055 8 0 "[ . 1 .]"
1 18 DG 2.844 0.075 1 0 "[ . 1 .]"
1 19 DG 1.240 0.077 2 0 "[ . 1 .]"
1 20 DG 1.281 0.063 5 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 DG O6 1 13 DT H3 2.620 2.520 2.720 2.930 2.656 3.632 0.912 12 3 "[ . 1*+ -.]" 2
2 1 2 DG O6 1 13 DT N3 3.700 3.600 3.800 3.855 3.611 4.343 0.543 12 2 "[ . 1-+ .]" 2
3 1 2 DG H1 1 13 DT O4 2.400 2.300 2.500 2.534 2.304 3.026 0.526 11 2 "[ . 1+ -.]" 2
4 1 2 DG N1 1 13 DT O4 3.400 3.300 3.500 3.508 3.295 4.007 0.507 11 1 "[ . 1+ .]" 2
5 1 2 DG H22 1 13 DT O4 3.440 3.340 3.540 3.687 3.219 4.439 0.899 12 4 "[ -. 1*+ *.]" 2
6 1 3 DG N7 1 18 DG H22 1.880 . 1.980 2.011 1.998 2.023 0.043 10 0 "[ . 1 .]" 2
7 1 3 DG N7 1 18 DG N2 2.950 2.850 3.050 3.020 3.007 3.034 . 0 0 "[ . 1 .]" 2
8 1 3 DG O6 1 18 DG H1 2.280 2.180 2.380 2.332 2.316 2.356 . 0 0 "[ . 1 .]" 2
9 1 3 DG O6 1 18 DG N1 3.150 3.050 3.250 3.274 3.261 3.289 0.039 12 0 "[ . 1 .]" 2
10 1 14 DG H21 1 18 DG N7 1.700 . 1.800 1.866 1.859 1.875 0.075 1 0 "[ . 1 .]" 2
11 1 14 DG N2 1 18 DG N7 2.700 2.600 2.800 2.825 2.814 2.834 0.034 8 0 "[ . 1 .]" 2
12 1 14 DG H1 1 18 DG O6 1.700 . 1.800 1.820 1.811 1.826 0.026 6 0 "[ . 1 .]" 2
13 1 14 DG N1 1 18 DG O6 2.700 2.600 2.800 2.823 2.817 2.828 0.028 4 0 "[ . 1 .]" 2
14 1 7 DG H21 1 14 DG N7 2.250 2.150 2.350 2.343 2.328 2.358 0.008 9 0 "[ . 1 .]" 2
15 1 7 DG N2 1 14 DG N7 3.200 3.100 3.300 3.332 3.322 3.351 0.051 9 0 "[ . 1 .]" 2
16 1 7 DG H1 1 14 DG O6 2.200 2.100 2.300 2.259 2.232 2.295 . 0 0 "[ . 1 .]" 2
17 1 7 DG N1 1 14 DG O6 2.950 2.850 3.050 3.070 3.062 3.081 0.031 15 0 "[ . 1 .]" 2
18 1 3 DG H22 1 7 DG N7 1.600 . 1.700 1.746 1.737 1.754 0.054 8 0 "[ . 1 .]" 2
19 1 3 DG N2 1 7 DG N7 2.600 2.500 2.700 2.757 2.749 2.766 0.066 8 0 "[ . 1 .]" 2
20 1 3 DG H1 1 7 DG O6 2.200 2.100 2.300 2.267 2.251 2.279 . 0 0 "[ . 1 .]" 2
21 1 3 DG N1 1 7 DG O6 3.100 3.000 3.200 3.208 3.191 3.224 0.024 2 0 "[ . 1 .]" 2
22 1 4 DG N7 1 19 DG H22 1.990 . 2.090 2.033 1.997 2.056 . 0 0 "[ . 1 .]" 2
23 1 4 DG N7 1 19 DG N2 2.850 2.750 2.950 2.963 2.927 2.975 0.025 10 0 "[ . 1 .]" 2
24 1 4 DG O6 1 19 DG H1 1.950 . 2.050 2.027 1.973 2.051 0.001 2 0 "[ . 1 .]" 2
25 1 4 DG O6 1 19 DG N1 2.950 2.850 3.050 3.038 2.984 3.062 0.012 2 0 "[ . 1 .]" 2
26 1 15 DG H21 1 19 DG N7 2.150 2.050 2.250 2.210 2.186 2.230 . 0 0 "[ . 1 .]" 2
27 1 15 DG N2 1 19 DG N7 3.000 2.900 3.100 3.165 3.147 3.177 0.077 2 0 "[ . 1 .]" 2
28 1 15 DG H1 1 19 DG O6 1.850 . 1.950 1.929 1.904 1.946 . 0 0 "[ . 1 .]" 2
29 1 15 DG N1 1 19 DG O6 2.850 2.750 2.950 2.937 2.915 2.954 0.004 9 0 "[ . 1 .]" 2
30 1 8 DG H21 1 15 DG N7 1.990 . 2.090 2.110 2.096 2.125 0.035 8 0 "[ . 1 .]" 2
31 1 8 DG N2 1 15 DG N7 2.950 2.850 3.050 3.043 3.033 3.053 0.003 4 0 "[ . 1 .]" 2
32 1 8 DG H1 1 15 DG O6 1.950 . 2.050 1.991 1.943 2.031 . 0 0 "[ . 1 .]" 2
33 1 8 DG N1 1 15 DG O6 2.950 2.850 3.050 3.002 2.953 3.042 . 0 0 "[ . 1 .]" 2
34 1 4 DG H22 1 8 DG N7 2.150 2.050 2.250 2.260 2.241 2.269 0.019 3 0 "[ . 1 .]" 2
35 1 4 DG N2 1 8 DG N7 3.100 3.000 3.200 3.233 3.219 3.241 0.041 13 0 "[ . 1 .]" 2
36 1 4 DG H1 1 8 DG O6 1.850 . 1.950 1.956 1.947 1.967 0.017 8 0 "[ . 1 .]" 2
37 1 4 DG N1 1 8 DG O6 2.850 2.750 2.950 2.963 2.956 2.973 0.023 8 0 "[ . 1 .]" 2
38 1 5 DG N7 1 20 DG H22 1.990 . 2.090 2.046 2.031 2.077 . 0 0 "[ . 1 .]" 2
39 1 5 DG N7 1 20 DG N2 2.850 2.750 2.950 2.997 2.985 3.013 0.063 5 0 "[ . 1 .]" 2
40 1 5 DG O6 1 20 DG H1 1.950 . 2.050 1.973 1.921 2.015 . 0 0 "[ . 1 .]" 2
41 1 5 DG O6 1 20 DG N1 2.950 2.850 3.050 2.982 2.930 3.023 . 0 0 "[ . 1 .]" 2
42 1 16 DG H22 1 20 DG N7 1.990 . 2.090 2.113 2.095 2.124 0.034 10 0 "[ . 1 .]" 2
43 1 16 DG N2 1 20 DG N7 3.050 2.950 3.150 3.110 3.079 3.123 . 0 0 "[ . 1 .]" 2
44 1 16 DG H1 1 20 DG O6 1.950 . 2.050 1.987 1.973 2.006 . 0 0 "[ . 1 .]" 2
45 1 16 DG N1 1 20 DG O6 2.850 2.750 2.950 2.966 2.957 2.973 0.023 1 0 "[ . 1 .]" 2
46 1 9 DG H21 1 16 DG N7 1.990 . 2.090 2.032 2.013 2.058 . 0 0 "[ . 1 .]" 2
47 1 9 DG N2 1 16 DG N7 2.850 2.750 2.950 2.983 2.975 3.005 0.055 8 0 "[ . 1 .]" 2
48 1 9 DG H1 1 16 DG O6 2.050 . 2.150 2.085 1.992 2.161 0.011 12 0 "[ . 1 .]" 2
49 1 9 DG N1 1 16 DG O6 3.050 2.950 3.150 3.091 3.001 3.156 0.006 12 0 "[ . 1 .]" 2
50 1 5 DG H21 1 9 DG N7 2.050 . 2.150 2.152 2.097 2.174 0.024 3 0 "[ . 1 .]" 2
51 1 5 DG N2 1 9 DG N7 3.050 2.950 3.150 3.137 3.086 3.158 0.008 11 0 "[ . 1 .]" 2
52 1 5 DG H1 1 9 DG O6 1.850 . 1.950 1.960 1.953 1.967 0.017 4 0 "[ . 1 .]" 2
53 1 5 DG N1 1 9 DG O6 2.850 2.750 2.950 2.959 2.954 2.967 0.017 5 0 "[ . 1 .]" 2
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