NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396110 |
1s9l   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1s9l
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 200
_Distance_constraint_stats_list.Viol_count 1810
_Distance_constraint_stats_list.Viol_total 77536.195
_Distance_constraint_stats_list.Viol_max 8.961
_Distance_constraint_stats_list.Viol_rms 2.2192
_Distance_constraint_stats_list.Viol_average_all_restraints 0.9692
_Distance_constraint_stats_list.Viol_average_violations_only 2.1419
_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 TLN 6.962 0.195 9 0 "[ . 1 . 2]"
1 2 LCG 429.114 7.178 4 20 [***+*-**************]
1 3 LCG 427.462 7.189 16 20 [***********-***+****]
1 4 LCG 421.817 7.318 3 20 [**+***-*************]
1 5 TLN 2.753 0.160 4 0 "[ . 1 . 2]"
2 1 TLN 7.140 0.197 13 0 "[ . 1 . 2]"
2 2 LCG 429.133 7.178 1 20 [+************-******]
2 3 LCG 427.466 7.168 17 20 [***************-+***]
2 4 LCG 420.632 7.318 7 20 [******+*****-*******]
2 5 TLN 2.729 0.163 10 0 "[ . 1 . 2]"
3 1 TLN 6.962 0.197 3 0 "[ . 1 . 2]"
3 2 LCG 858.393 8.938 9 20 [**-*****+***********]
3 3 LCG 856.198 8.960 9 20 [**-*****+***********]
3 4 LCG 848.861 8.961 16 20 [*******-*******+****]
3 5 TLN 2.609 0.161 12 0 "[ . 1 . 2]"
4 1 TLN 7.030 0.196 7 0 "[ . 1 . 2]"
4 2 LCG 858.388 8.938 9 20 [**-*****+***********]
4 3 LCG 855.804 8.960 9 20 [**-*****+***********]
4 4 LCG 849.840 8.961 16 20 [*******-*******+****]
4 5 TLN 2.838 0.163 16 0 "[ . 1 . 2]"
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 LCG H6'2 1 2 LCG H8 . . 5.500 5.089 5.068 5.114 . 0 0 "[ . 1 . 2]" 1
2 1 2 LCG H6'1 1 2 LCG H8 . . 5.500 5.525 5.518 5.533 0.033 13 0 "[ . 1 . 2]" 1
3 1 2 LCG H3' 1 2 LCG H8 . . 3.520 2.878 2.808 2.923 . 0 0 "[ . 1 . 2]" 1
4 1 1 TLN H2' 1 2 LCG H8 . . 4.380 2.534 2.461 2.618 . 0 0 "[ . 1 . 2]" 1
5 1 1 TLN H1' 1 2 LCG H8 . . 5.500 4.801 4.716 4.877 . 0 0 "[ . 1 . 2]" 1
6 1 4 LCG H3' 1 4 LCG H8 . . 3.210 2.823 2.741 2.980 . 0 0 "[ . 1 . 2]" 1
7 1 3 LCG H3' 1 4 LCG H8 . . 3.980 3.355 3.002 3.560 . 0 0 "[ . 1 . 2]" 1
8 1 3 LCG H2' 1 4 LCG H8 . . 3.610 2.919 2.571 3.191 . 0 0 "[ . 1 . 2]" 1
9 1 3 LCG H1' 1 4 LCG H8 . . 5.500 5.070 4.739 5.408 . 0 0 "[ . 1 . 2]" 1
10 1 3 LCG H6'1 1 3 LCG H8 . . 5.500 5.544 5.522 5.559 0.059 11 0 "[ . 1 . 2]" 1
11 1 3 LCG H6'2 1 3 LCG H8 . . 5.500 5.146 5.097 5.174 . 0 0 "[ . 1 . 2]" 1
12 1 2 LCG H3' 1 3 LCG H8 . . 4.450 3.218 3.040 3.374 . 0 0 "[ . 1 . 2]" 1
13 1 3 LCG H3' 1 3 LCG H8 . . 3.360 2.758 2.630 2.908 . 0 0 "[ . 1 . 2]" 1
14 1 2 LCG H2' 1 3 LCG H8 . . 3.580 2.869 2.624 3.085 . 0 0 "[ . 1 . 2]" 1
15 1 2 LCG H1' 1 3 LCG H8 . . 5.500 5.007 4.770 5.173 . 0 0 "[ . 1 . 2]" 1
16 1 5 TLN H6 1 5 TLN H6'1 . . 5.130 5.268 5.239 5.290 0.160 4 0 "[ . 1 . 2]" 1
17 1 5 TLN H6 1 5 TLN H6'2 . . 5.130 4.956 4.932 4.997 . 0 0 "[ . 1 . 2]" 1
18 1 4 LCG H2' 1 5 TLN H6 . . 4.660 3.404 3.174 3.809 . 0 0 "[ . 1 . 2]" 1
19 1 4 LCG H3' 1 5 TLN H6 . . 4.510 3.293 2.462 3.871 . 0 0 "[ . 1 . 2]" 1
20 1 1 TLN H2' 1 1 TLN H6 . . 3.920 4.108 4.099 4.115 0.195 9 0 "[ . 1 . 2]" 1
21 1 1 TLN H6 1 1 TLN H6'1 . . 5.500 5.502 5.489 5.509 0.009 18 0 "[ . 1 . 2]" 1
22 1 1 TLN H6 1 1 TLN H6'2 . . 5.500 5.107 5.102 5.114 . 0 0 "[ . 1 . 2]" 1
23 1 1 TLN H3' 1 1 TLN H6 . . 3.240 2.587 2.548 2.606 . 0 0 "[ . 1 . 2]" 1
24 1 3 LCG H2' 1 4 LCG H1' . . 4.450 3.901 3.794 3.999 . 0 0 "[ . 1 . 2]" 1
25 1 3 LCG H1' 1 4 LCG H1' . . 5.500 5.253 5.177 5.400 . 0 0 "[ . 1 . 2]" 1
26 1 2 LCG H2' 1 3 LCG H1' . . 4.940 3.994 3.964 4.067 . 0 0 "[ . 1 . 2]" 1
27 1 2 LCG H1' 1 3 LCG H1' . . 5.500 5.511 5.477 5.538 0.038 12 0 "[ . 1 . 2]" 1
28 1 1 TLN H2' 1 2 LCG H1' . . 5.160 3.899 3.860 3.936 . 0 0 "[ . 1 . 2]" 1
29 1 4 LCG H2' 1 5 TLN H1' . . 5.410 4.070 3.054 4.733 . 0 0 "[ . 1 . 2]" 1
30 1 1 TLN H2' 1 2 LCG H2' . . 5.500 5.522 5.515 5.533 0.033 1 0 "[ . 1 . 2]" 1
31 1 2 LCG H2' 1 3 LCG H3' . . 4.820 4.450 4.374 4.488 . 0 0 "[ . 1 . 2]" 1
32 1 3 LCG H2' 1 4 LCG H3' . . 4.850 4.435 4.325 4.543 . 0 0 "[ . 1 . 2]" 1
33 1 3 LCG H2' 1 4 LCG H2' . . 5.500 5.600 5.568 5.624 0.124 12 0 "[ . 1 . 2]" 1
34 1 2 LCG H3' 1 3 LCG H3' . . 5.310 5.416 5.409 5.425 0.115 17 0 "[ . 1 . 2]" 1
35 1 1 TLN H2' 1 2 LCG H6'1 . . 4.940 5.006 4.995 5.019 0.079 9 0 "[ . 1 . 2]" 1
36 1 1 TLN H2' 1 2 LCG H6'2 . . 4.940 4.026 3.992 4.059 . 0 0 "[ . 1 . 2]" 1
37 1 1 TLN H3' 1 2 LCG H3' . . 5.500 5.569 5.551 5.579 0.079 17 0 "[ . 1 . 2]" 1
38 2 2 LCG H6'2 2 2 LCG H8 . . 5.500 5.088 5.068 5.109 . 0 0 "[ . 1 . 2]" 1
39 2 2 LCG H6'1 2 2 LCG H8 . . 5.500 5.522 5.517 5.530 0.030 7 0 "[ . 1 . 2]" 1
40 2 2 LCG H3' 2 2 LCG H8 . . 3.520 2.870 2.815 2.925 . 0 0 "[ . 1 . 2]" 1
41 2 1 TLN H2' 2 2 LCG H8 . . 4.380 2.529 2.461 2.636 . 0 0 "[ . 1 . 2]" 1
42 2 1 TLN H1' 2 2 LCG H8 . . 5.500 4.802 4.714 4.907 . 0 0 "[ . 1 . 2]" 1
43 2 4 LCG H3' 2 4 LCG H8 . . 3.210 2.840 2.781 2.981 . 0 0 "[ . 1 . 2]" 1
44 2 3 LCG H3' 2 4 LCG H8 . . 3.980 3.247 2.999 3.559 . 0 0 "[ . 1 . 2]" 1
45 2 3 LCG H2' 2 4 LCG H8 . . 3.610 2.784 2.570 3.187 . 0 0 "[ . 1 . 2]" 1
46 2 3 LCG H1' 2 4 LCG H8 . . 5.500 4.956 4.748 5.404 . 0 0 "[ . 1 . 2]" 1
47 2 3 LCG H6'1 2 3 LCG H8 . . 5.500 5.537 5.522 5.558 0.058 7 0 "[ . 1 . 2]" 1
48 2 3 LCG H6'2 2 3 LCG H8 . . 5.500 5.140 5.097 5.180 . 0 0 "[ . 1 . 2]" 1
49 2 2 LCG H3' 2 3 LCG H8 . . 4.450 3.206 3.060 3.367 . 0 0 "[ . 1 . 2]" 1
50 2 3 LCG H3' 2 3 LCG H8 . . 3.360 2.751 2.626 2.891 . 0 0 "[ . 1 . 2]" 1
51 2 2 LCG H2' 2 3 LCG H8 . . 3.580 2.820 2.633 3.074 . 0 0 "[ . 1 . 2]" 1
52 2 2 LCG H1' 2 3 LCG H8 . . 5.500 4.976 4.785 5.184 . 0 0 "[ . 1 . 2]" 1
53 2 5 TLN H6 2 5 TLN H6'1 . . 5.130 5.266 5.239 5.293 0.163 10 0 "[ . 1 . 2]" 1
54 2 5 TLN H6 2 5 TLN H6'2 . . 5.130 4.953 4.931 4.997 . 0 0 "[ . 1 . 2]" 1
55 2 4 LCG H2' 2 5 TLN H6 . . 4.660 3.544 3.176 3.812 . 0 0 "[ . 1 . 2]" 1
56 2 4 LCG H3' 2 5 TLN H6 . . 4.510 3.179 2.461 3.640 . 0 0 "[ . 1 . 2]" 1
57 2 1 TLN H2' 2 1 TLN H6 . . 3.920 4.110 4.102 4.117 0.197 13 0 "[ . 1 . 2]" 1
58 2 1 TLN H6 2 1 TLN H6'1 . . 5.500 5.503 5.495 5.507 0.007 17 0 "[ . 1 . 2]" 1
59 2 1 TLN H6 2 1 TLN H6'2 . . 5.500 5.105 5.099 5.113 . 0 0 "[ . 1 . 2]" 1
60 2 1 TLN H3' 2 1 TLN H6 . . 3.240 2.592 2.561 2.608 . 0 0 "[ . 1 . 2]" 1
61 2 3 LCG H2' 2 4 LCG H1' . . 4.450 3.881 3.793 4.004 . 0 0 "[ . 1 . 2]" 1
62 2 3 LCG H1' 2 4 LCG H1' . . 5.500 5.292 5.176 5.398 . 0 0 "[ . 1 . 2]" 1
63 2 2 LCG H2' 2 3 LCG H1' . . 4.940 3.995 3.956 4.061 . 0 0 "[ . 1 . 2]" 1
64 2 2 LCG H1' 2 3 LCG H1' . . 5.500 5.520 5.476 5.538 0.038 20 0 "[ . 1 . 2]" 1
65 2 1 TLN H2' 2 2 LCG H1' . . 5.160 3.912 3.864 3.934 . 0 0 "[ . 1 . 2]" 1
66 2 4 LCG H2' 2 5 TLN H1' . . 5.410 4.158 3.058 4.737 . 0 0 "[ . 1 . 2]" 1
67 2 1 TLN H2' 2 2 LCG H2' . . 5.500 5.523 5.515 5.532 0.032 1 0 "[ . 1 . 2]" 1
68 2 2 LCG H2' 2 3 LCG H3' . . 4.820 4.439 4.385 4.480 . 0 0 "[ . 1 . 2]" 1
69 2 3 LCG H2' 2 4 LCG H3' . . 4.850 4.431 4.315 4.542 . 0 0 "[ . 1 . 2]" 1
70 2 3 LCG H2' 2 4 LCG H2' . . 5.500 5.598 5.569 5.625 0.125 4 0 "[ . 1 . 2]" 1
71 2 2 LCG H3' 2 3 LCG H3' . . 5.310 5.415 5.410 5.424 0.114 7 0 "[ . 1 . 2]" 1
72 2 1 TLN H2' 2 2 LCG H6'1 . . 4.940 5.009 4.989 5.019 0.079 19 0 "[ . 1 . 2]" 1
73 2 1 TLN H2' 2 2 LCG H6'2 . . 4.940 4.036 3.993 4.060 . 0 0 "[ . 1 . 2]" 1
74 2 1 TLN H3' 2 2 LCG H3' . . 5.500 5.571 5.551 5.582 0.082 16 0 "[ . 1 . 2]" 1
75 3 2 LCG H6'2 3 2 LCG H8 . . 5.500 5.087 5.069 5.115 . 0 0 "[ . 1 . 2]" 1
76 3 2 LCG H6'1 3 2 LCG H8 . . 5.500 5.522 5.518 5.530 0.030 9 0 "[ . 1 . 2]" 1
77 3 2 LCG H3' 3 2 LCG H8 . . 3.520 2.877 2.805 2.926 . 0 0 "[ . 1 . 2]" 1
78 3 1 TLN H2' 3 2 LCG H8 . . 4.380 2.526 2.459 2.640 . 0 0 "[ . 1 . 2]" 1
79 3 1 TLN H1' 3 2 LCG H8 . . 5.500 4.790 4.715 4.911 . 0 0 "[ . 1 . 2]" 1
80 3 4 LCG H3' 3 4 LCG H8 . . 3.210 2.822 2.768 2.980 . 0 0 "[ . 1 . 2]" 1
81 3 3 LCG H3' 3 4 LCG H8 . . 3.980 3.371 3.007 3.584 . 0 0 "[ . 1 . 2]" 1
82 3 3 LCG H2' 3 4 LCG H8 . . 3.610 2.941 2.569 3.186 . 0 0 "[ . 1 . 2]" 1
83 3 3 LCG H1' 3 4 LCG H8 . . 5.500 5.125 4.760 5.409 . 0 0 "[ . 1 . 2]" 1
84 3 3 LCG H6'1 3 3 LCG H8 . . 5.500 5.544 5.522 5.558 0.058 16 0 "[ . 1 . 2]" 1
85 3 3 LCG H6'2 3 3 LCG H8 . . 5.500 5.129 5.095 5.179 . 0 0 "[ . 1 . 2]" 1
86 3 2 LCG H3' 3 3 LCG H8 . . 4.450 3.171 3.059 3.368 . 0 0 "[ . 1 . 2]" 1
87 3 3 LCG H3' 3 3 LCG H8 . . 3.360 2.800 2.613 2.897 . 0 0 "[ . 1 . 2]" 1
88 3 2 LCG H2' 3 3 LCG H8 . . 3.580 2.769 2.626 3.071 . 0 0 "[ . 1 . 2]" 1
89 3 2 LCG H1' 3 3 LCG H8 . . 5.500 4.915 4.778 5.161 . 0 0 "[ . 1 . 2]" 1
90 3 5 TLN H6 3 5 TLN H6'1 . . 5.130 5.260 5.239 5.291 0.161 12 0 "[ . 1 . 2]" 1
91 3 5 TLN H6 3 5 TLN H6'2 . . 5.130 4.953 4.932 4.996 . 0 0 "[ . 1 . 2]" 1
92 3 4 LCG H2' 3 5 TLN H6 . . 4.660 3.427 3.136 3.807 . 0 0 "[ . 1 . 2]" 1
93 3 4 LCG H3' 3 5 TLN H6 . . 4.510 3.202 2.461 3.629 . 0 0 "[ . 1 . 2]" 1
94 3 1 TLN H2' 3 1 TLN H6 . . 3.920 4.107 4.094 4.117 0.197 3 0 "[ . 1 . 2]" 1
95 3 1 TLN H6 3 1 TLN H6'1 . . 5.500 5.503 5.495 5.508 0.008 19 0 "[ . 1 . 2]" 1
96 3 1 TLN H6 3 1 TLN H6'2 . . 5.500 5.109 5.100 5.120 . 0 0 "[ . 1 . 2]" 1
97 3 1 TLN H3' 3 1 TLN H6 . . 3.240 2.582 2.547 2.608 . 0 0 "[ . 1 . 2]" 1
98 3 3 LCG H2' 3 4 LCG H1' . . 4.450 3.887 3.799 3.997 . 0 0 "[ . 1 . 2]" 1
99 3 3 LCG H1' 3 4 LCG H1' . . 5.500 5.263 5.174 5.400 . 0 0 "[ . 1 . 2]" 1
100 3 2 LCG H2' 3 3 LCG H1' . . 4.940 3.995 3.964 4.060 . 0 0 "[ . 1 . 2]" 1
101 3 2 LCG H1' 3 3 LCG H1' . . 5.500 5.517 5.476 5.538 0.038 5 0 "[ . 1 . 2]" 1
102 3 1 TLN H2' 3 2 LCG H1' . . 5.160 3.910 3.866 3.934 . 0 0 "[ . 1 . 2]" 1
103 3 4 LCG H2' 3 5 TLN H1' . . 5.410 4.046 3.006 4.729 . 0 0 "[ . 1 . 2]" 1
104 3 1 TLN H2' 3 2 LCG H2' . . 5.500 5.524 5.514 5.532 0.032 1 0 "[ . 1 . 2]" 1
105 3 2 LCG H2' 3 3 LCG H3' . . 4.820 4.438 4.387 4.480 . 0 0 "[ . 1 . 2]" 1
106 3 3 LCG H2' 3 4 LCG H3' . . 4.850 4.459 4.335 4.543 . 0 0 "[ . 1 . 2]" 1
107 3 3 LCG H2' 3 4 LCG H2' . . 5.500 5.601 5.568 5.625 0.125 5 0 "[ . 1 . 2]" 1
108 3 2 LCG H3' 3 3 LCG H3' . . 5.310 5.417 5.409 5.425 0.115 9 0 "[ . 1 . 2]" 1
109 3 1 TLN H2' 3 2 LCG H6'1 . . 4.940 5.008 4.988 5.019 0.079 14 0 "[ . 1 . 2]" 1
110 3 1 TLN H2' 3 2 LCG H6'2 . . 4.940 4.034 3.993 4.056 . 0 0 "[ . 1 . 2]" 1
111 3 1 TLN H3' 3 2 LCG H3' . . 5.500 5.565 5.550 5.580 0.080 1 0 "[ . 1 . 2]" 1
112 4 2 LCG H6'2 4 2 LCG H8 . . 5.500 5.088 5.070 5.118 . 0 0 "[ . 1 . 2]" 1
113 4 2 LCG H6'1 4 2 LCG H8 . . 5.500 5.522 5.517 5.531 0.031 3 0 "[ . 1 . 2]" 1
114 4 2 LCG H3' 4 2 LCG H8 . . 3.520 2.868 2.798 2.922 . 0 0 "[ . 1 . 2]" 1
115 4 1 TLN H2' 4 2 LCG H8 . . 4.380 2.538 2.459 2.632 . 0 0 "[ . 1 . 2]" 1
116 4 1 TLN H1' 4 2 LCG H8 . . 5.500 4.810 4.716 4.891 . 0 0 "[ . 1 . 2]" 1
117 4 4 LCG H3' 4 4 LCG H8 . . 3.210 2.873 2.781 2.981 . 0 0 "[ . 1 . 2]" 1
118 4 3 LCG H3' 4 4 LCG H8 . . 3.980 3.277 3.002 3.559 . 0 0 "[ . 1 . 2]" 1
119 4 3 LCG H2' 4 4 LCG H8 . . 3.610 2.815 2.569 3.190 . 0 0 "[ . 1 . 2]" 1
120 4 3 LCG H1' 4 4 LCG H8 . . 5.500 4.990 4.760 5.413 . 0 0 "[ . 1 . 2]" 1
121 4 3 LCG H6'1 4 3 LCG H8 . . 5.500 5.543 5.522 5.558 0.058 3 0 "[ . 1 . 2]" 1
122 4 3 LCG H6'2 4 3 LCG H8 . . 5.500 5.131 5.097 5.177 . 0 0 "[ . 1 . 2]" 1
123 4 2 LCG H3' 4 3 LCG H8 . . 4.450 3.165 3.060 3.387 . 0 0 "[ . 1 . 2]" 1
124 4 3 LCG H3' 4 3 LCG H8 . . 3.360 2.796 2.630 2.893 . 0 0 "[ . 1 . 2]" 1
125 4 2 LCG H2' 4 3 LCG H8 . . 3.580 2.771 2.626 3.075 . 0 0 "[ . 1 . 2]" 1
126 4 2 LCG H1' 4 3 LCG H8 . . 5.500 4.918 4.780 5.164 . 0 0 "[ . 1 . 2]" 1
127 4 5 TLN H6 4 5 TLN H6'1 . . 5.130 5.272 5.240 5.293 0.163 16 0 "[ . 1 . 2]" 1
128 4 5 TLN H6 4 5 TLN H6'2 . . 5.130 4.961 4.931 4.994 . 0 0 "[ . 1 . 2]" 1
129 4 4 LCG H2' 4 5 TLN H6 . . 4.660 3.474 3.176 3.806 . 0 0 "[ . 1 . 2]" 1
130 4 4 LCG H3' 4 5 TLN H6 . . 4.510 2.988 2.460 3.644 . 0 0 "[ . 1 . 2]" 1
131 4 1 TLN H2' 4 1 TLN H6 . . 3.920 4.110 4.100 4.116 0.196 7 0 "[ . 1 . 2]" 1
132 4 1 TLN H6 4 1 TLN H6'1 . . 5.500 5.504 5.495 5.512 0.012 16 0 "[ . 1 . 2]" 1
133 4 1 TLN H6 4 1 TLN H6'2 . . 5.500 5.107 5.099 5.120 . 0 0 "[ . 1 . 2]" 1
134 4 1 TLN H3' 4 1 TLN H6 . . 3.240 2.594 2.555 2.623 . 0 0 "[ . 1 . 2]" 1
135 4 3 LCG H2' 4 4 LCG H1' . . 4.450 3.879 3.797 4.007 . 0 0 "[ . 1 . 2]" 1
136 4 3 LCG H1' 4 4 LCG H1' . . 5.500 5.249 5.173 5.401 . 0 0 "[ . 1 . 2]" 1
137 4 2 LCG H2' 4 3 LCG H1' . . 4.940 3.990 3.965 4.068 . 0 0 "[ . 1 . 2]" 1
138 4 2 LCG H1' 4 3 LCG H1' . . 5.500 5.513 5.477 5.537 0.037 12 0 "[ . 1 . 2]" 1
139 4 1 TLN H2' 4 2 LCG H1' . . 5.160 3.905 3.864 3.934 . 0 0 "[ . 1 . 2]" 1
140 4 4 LCG H2' 4 5 TLN H1' . . 5.410 3.771 3.006 4.730 . 0 0 "[ . 1 . 2]" 1
141 4 1 TLN H2' 4 2 LCG H2' . . 5.500 5.522 5.515 5.532 0.032 1 0 "[ . 1 . 2]" 1
142 4 2 LCG H2' 4 3 LCG H3' . . 4.820 4.437 4.373 4.479 . 0 0 "[ . 1 . 2]" 1
143 4 3 LCG H2' 4 4 LCG H3' . . 4.850 4.436 4.322 4.543 . 0 0 "[ . 1 . 2]" 1
144 4 3 LCG H2' 4 4 LCG H2' . . 5.500 5.593 5.571 5.626 0.126 12 0 "[ . 1 . 2]" 1
145 4 2 LCG H3' 4 3 LCG H3' . . 5.310 5.415 5.407 5.425 0.115 3 0 "[ . 1 . 2]" 1
146 4 1 TLN H2' 4 2 LCG H6'1 . . 4.940 5.006 4.993 5.020 0.080 8 0 "[ . 1 . 2]" 1
147 4 1 TLN H2' 4 2 LCG H6'2 . . 4.940 4.028 3.992 4.057 . 0 0 "[ . 1 . 2]" 1
148 4 1 TLN H3' 4 2 LCG H3' . . 5.500 5.569 5.552 5.580 0.080 3 0 "[ . 1 . 2]" 1
149 1 1 TLN H6 1 2 LCG H8 . . 5.990 4.567 4.461 4.629 . 0 0 "[ . 1 . 2]" 1
150 2 1 TLN H6 2 2 LCG H8 . . 5.990 4.589 4.459 4.661 . 0 0 "[ . 1 . 2]" 1
151 3 1 TLN H6 3 2 LCG H8 . . 5.990 4.552 4.456 4.669 . 0 0 "[ . 1 . 2]" 1
152 4 1 TLN H6 4 2 LCG H8 . . 5.990 4.582 4.461 4.638 . 0 0 "[ . 1 . 2]" 1
153 1 2 LCG H21 4 2 LCG N7 . . 1.700 8.856 8.843 8.878 7.178 4 20 [***+*****-**********] 1
154 1 2 LCG N2 4 2 LCG N7 . 2.700 2.700 9.582 9.572 9.607 6.907 4 20 [*-*+****************] 1
155 1 2 LCG H1 4 2 LCG O6 . . 1.800 4.853 4.841 4.880 3.080 4 20 [*-*+****************] 1
156 1 2 LCG N1 4 2 LCG O6 . 2.700 2.700 5.586 5.571 5.615 2.915 4 20 [***+*-**************] 1
157 1 2 LCG N7 2 2 LCG H21 . . 1.700 2.017 2.015 2.018 0.318 18 0 "[ . 1 . 2]" 1
158 1 2 LCG N7 2 2 LCG N2 . 2.700 2.700 3.009 3.007 3.012 0.312 10 0 "[ . 1 . 2]" 1
159 1 2 LCG O6 2 2 LCG H1 . . 1.800 2.046 2.044 2.048 0.248 18 0 "[ . 1 . 2]" 1
160 1 2 LCG O6 2 2 LCG N1 . 2.700 2.700 3.005 3.003 3.008 0.308 16 0 "[ . 1 . 2]" 1
161 2 2 LCG N7 3 2 LCG H21 . . 1.700 8.856 8.843 8.878 7.178 1 20 [+**-****************] 1
162 2 2 LCG N7 3 2 LCG N2 . 2.700 2.700 9.581 9.570 9.607 6.907 1 20 [+****************-**] 1
163 2 2 LCG O6 3 2 LCG H1 . . 1.800 4.851 4.841 4.882 3.082 1 20 [+-******************] 1
164 2 2 LCG O6 3 2 LCG N1 . 2.700 2.700 5.582 5.570 5.618 2.918 1 20 [+************-******] 1
165 3 2 LCG N7 4 2 LCG H21 . . 1.700 10.605 10.583 10.638 8.938 9 20 [********+*******-***] 1
166 3 2 LCG N7 4 2 LCG N2 . 2.700 2.700 10.667 10.647 10.697 7.997 9 20 [********+*******-***] 1
167 3 2 LCG O6 4 2 LCG H1 . . 1.800 5.041 5.023 5.067 3.267 9 20 [**-*****+***********] 1
168 3 2 LCG O6 4 2 LCG N1 . 2.700 2.700 5.233 5.221 5.257 2.557 9 20 [**-*****+***********] 1
169 1 3 LCG H21 4 3 LCG N7 . . 1.700 8.849 8.827 8.889 7.189 16 20 [***********-***+****] 1
170 1 3 LCG N2 4 3 LCG N7 . 2.700 2.700 9.575 9.552 9.612 6.912 16 20 [***************+-***] 1
171 1 3 LCG H1 4 3 LCG O6 . . 1.800 4.839 4.818 4.872 3.072 16 20 [***************+-***] 1
172 1 3 LCG N1 4 3 LCG O6 . 2.700 2.700 5.572 5.545 5.601 2.901 16 20 [***********-***+****] 1
173 1 3 LCG N7 2 3 LCG H21 . . 1.700 2.017 2.013 2.019 0.319 17 0 "[ . 1 . 2]" 1
174 1 3 LCG N7 2 3 LCG N2 . 2.700 2.700 3.010 3.004 3.012 0.312 5 0 "[ . 1 . 2]" 1
175 1 3 LCG O6 2 3 LCG H1 . . 1.800 2.045 2.043 2.047 0.247 14 0 "[ . 1 . 2]" 1
176 1 3 LCG O6 2 3 LCG N1 . 2.700 2.700 3.001 2.996 3.008 0.308 7 0 "[ . 1 . 2]" 1
177 2 3 LCG N7 3 3 LCG H21 . . 1.700 8.851 8.827 8.868 7.168 17 20 [***************-+***] 1
178 2 3 LCG N7 3 3 LCG N2 . 2.700 2.700 9.577 9.553 9.597 6.897 1 20 [+*******-***********] 1
179 2 3 LCG O6 3 3 LCG H1 . . 1.800 4.840 4.809 4.859 3.059 3 20 [**+************-****] 1
180 2 3 LCG O6 3 3 LCG N1 . 2.700 2.700 5.571 5.541 5.585 2.885 3 20 [**+************-****] 1
181 3 3 LCG N7 4 3 LCG H21 . . 1.700 10.596 10.567 10.660 8.960 9 20 [**-*****+***********] 1
182 3 3 LCG N7 4 3 LCG N2 . 2.700 2.700 10.659 10.623 10.724 8.024 9 20 [**-*****+***********] 1
183 3 3 LCG O6 4 3 LCG H1 . . 1.800 5.027 4.981 5.082 3.282 9 20 [**-*****+***********] 1
184 3 3 LCG O6 4 3 LCG N1 . 2.700 2.700 5.220 5.178 5.276 2.576 9 20 [**-*****+***********] 1
185 1 4 LCG H21 4 4 LCG N7 . . 1.700 8.814 8.697 9.018 7.318 3 20 [**+***-*************] 1
186 1 4 LCG N2 4 4 LCG N7 . 2.700 2.700 9.545 9.422 9.746 7.046 3 20 [**+***-*************] 1
187 1 4 LCG H1 4 4 LCG O6 . . 1.800 4.816 4.711 4.922 3.122 3 20 [**+***-*************] 1
188 1 4 LCG N1 4 4 LCG O6 . 2.700 2.700 5.551 5.431 5.670 2.970 3 20 [**+***-*************] 1
189 1 4 LCG N7 2 4 LCG H21 . . 1.700 2.019 2.015 2.023 0.323 9 0 "[ . 1 . 2]" 1
190 1 4 LCG N7 2 4 LCG N2 . 2.700 2.700 3.011 2.997 3.018 0.318 11 0 "[ . 1 . 2]" 1
191 1 4 LCG O6 2 4 LCG H1 . . 1.800 2.041 2.034 2.058 0.258 9 0 "[ . 1 . 2]" 1
192 1 4 LCG O6 2 4 LCG N1 . 2.700 2.700 2.993 2.982 3.004 0.304 1 0 "[ . 1 . 2]" 1
193 2 4 LCG N7 3 4 LCG H21 . . 1.700 8.806 8.694 9.018 7.318 7 20 [******+*********-***] 1
194 2 4 LCG N7 3 4 LCG N2 . 2.700 2.700 9.534 9.420 9.746 7.046 7 20 [******+*********-***] 1
195 2 4 LCG O6 3 4 LCG H1 . . 1.800 4.800 4.710 4.923 3.123 7 20 [******+*********-***] 1
196 2 4 LCG O6 3 4 LCG N1 . 2.700 2.700 5.529 5.431 5.671 2.971 7 20 [******+*****-*******] 1
197 3 4 LCG N7 4 4 LCG H21 . . 1.700 10.592 10.463 10.661 8.961 16 20 [**-************+****] 1
198 3 4 LCG N7 4 4 LCG N2 . 2.700 2.700 10.659 10.545 10.720 8.020 16 20 [**-************+****] 1
199 3 4 LCG O6 4 4 LCG H1 . . 1.800 5.013 4.934 5.079 3.279 9 20 [**-*****+***********] 1
200 3 4 LCG O6 4 4 LCG N1 . 2.700 2.700 5.209 5.153 5.264 2.564 10 20 [*******-*+**********] 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 24
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 1 TLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LCG 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LCG 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LCG 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 TLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 TLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 LCG 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 LCG 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 LCG 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 TLN 0.000 0.000 . 0 "[ . 1 . 2]"
3 1 TLN 0.000 0.000 . 0 "[ . 1 . 2]"
3 2 LCG 0.000 0.000 . 0 "[ . 1 . 2]"
3 3 LCG 0.000 0.000 . 0 "[ . 1 . 2]"
3 4 LCG 0.000 0.000 . 0 "[ . 1 . 2]"
3 5 TLN 0.000 0.000 . 0 "[ . 1 . 2]"
4 1 TLN 0.000 0.000 . 0 "[ . 1 . 2]"
4 2 LCG 0.000 0.000 . 0 "[ . 1 . 2]"
4 3 LCG 0.000 0.000 . 0 "[ . 1 . 2]"
4 4 LCG 0.000 0.000 . 0 "[ . 1 . 2]"
4 5 TLN 0.000 0.000 . 0 "[ . 1 . 2]"
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 LCG H5' 1 2 LCG H8 . . 4.880 3.944 3.902 3.987 . 0 0 "[ . 1 . 2]" 2
2 1 4 LCG H5' 1 4 LCG H8 . . 5.040 4.113 4.016 4.257 . 0 0 "[ . 1 . 2]" 2
3 1 3 LCG H5' 1 3 LCG H8 . . 5.000 4.002 3.913 4.087 . 0 0 "[ . 1 . 2]" 2
4 1 5 TLN H5' 1 5 TLN H6 . . 4.910 4.068 4.000 4.204 . 0 0 "[ . 1 . 2]" 2
5 1 2 LCG H1' 1 2 LCG H5' . . 5.250 4.745 4.738 4.753 . 0 0 "[ . 1 . 2]" 2
6 1 1 TLN H2' 1 2 LCG H5' . . 4.380 2.621 2.599 2.643 . 0 0 "[ . 1 . 2]" 2
7 2 2 LCG H5' 2 2 LCG H8 . . 4.880 3.940 3.902 3.982 . 0 0 "[ . 1 . 2]" 2
8 2 4 LCG H5' 2 4 LCG H8 . . 5.040 4.063 4.015 4.254 . 0 0 "[ . 1 . 2]" 2
9 2 3 LCG H5' 2 3 LCG H8 . . 5.000 3.979 3.914 4.087 . 0 0 "[ . 1 . 2]" 2
10 2 5 TLN H5' 2 5 TLN H6 . . 4.910 4.057 3.999 4.205 . 0 0 "[ . 1 . 2]" 2
11 2 2 LCG H1' 2 2 LCG H5' . . 5.250 4.748 4.740 4.754 . 0 0 "[ . 1 . 2]" 2
12 2 1 TLN H2' 2 2 LCG H5' . . 4.380 2.616 2.599 2.639 . 0 0 "[ . 1 . 2]" 2
13 3 2 LCG H5' 3 2 LCG H8 . . 4.880 3.937 3.901 3.986 . 0 0 "[ . 1 . 2]" 2
14 3 4 LCG H5' 3 4 LCG H8 . . 5.040 4.096 4.016 4.253 . 0 0 "[ . 1 . 2]" 2
15 3 3 LCG H5' 3 3 LCG H8 . . 5.000 3.968 3.912 4.086 . 0 0 "[ . 1 . 2]" 2
16 3 5 TLN H5' 3 5 TLN H6 . . 4.910 4.053 4.000 4.202 . 0 0 "[ . 1 . 2]" 2
17 3 2 LCG H1' 3 2 LCG H5' . . 5.250 4.746 4.738 4.753 . 0 0 "[ . 1 . 2]" 2
18 3 1 TLN H2' 3 2 LCG H5' . . 4.380 2.615 2.599 2.637 . 0 0 "[ . 1 . 2]" 2
19 4 2 LCG H5' 4 2 LCG H8 . . 4.880 3.941 3.905 3.996 . 0 0 "[ . 1 . 2]" 2
20 4 4 LCG H5' 4 4 LCG H8 . . 5.040 4.064 3.987 4.253 . 0 0 "[ . 1 . 2]" 2
21 4 3 LCG H5' 4 3 LCG H8 . . 5.000 3.967 3.914 4.088 . 0 0 "[ . 1 . 2]" 2
22 4 5 TLN H5' 4 5 TLN H6 . . 4.910 4.094 3.999 4.202 . 0 0 "[ . 1 . 2]" 2
23 4 2 LCG H1' 4 2 LCG H5' . . 5.250 4.745 4.739 4.753 . 0 0 "[ . 1 . 2]" 2
24 4 1 TLN H2' 4 2 LCG H5' . . 4.380 2.615 2.599 2.639 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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