NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382603 |
1jlp   |
5112 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jlp
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 106
_Distance_constraint_stats_list.Viol_count 729
_Distance_constraint_stats_list.Viol_total 3838.705
_Distance_constraint_stats_list.Viol_max 2.998
_Distance_constraint_stats_list.Viol_rms 0.2855
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1253
_Distance_constraint_stats_list.Viol_average_violations_only 0.3097
_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 2 HYP 36.639 2.998 9 17 [****-***+********]
1 3 HYP 45.352 2.998 9 17 [****-***+********]
1 4 CYS 26.807 0.429 2 0 "[ . 1 . ]"
1 5 CYS 21.980 0.330 1 0 "[ . 1 . ]"
1 6 LEU 36.537 1.364 15 17 [**************+*-]
1 7 TYR 6.172 0.247 10 0 "[ . 1 . ]"
1 8 GLY 5.824 0.247 10 0 "[ . 1 . ]"
1 9 SER 4.530 0.372 15 0 "[ . 1 . ]"
1 10 CYS 4.817 0.396 4 0 "[ . 1 . ]"
1 11 ARG 38.940 1.364 15 17 [**************+*-]
1 12 HYP 0.000 0.000 . 0 "[ . 1 . ]"
1 13 PHE 4.882 0.426 8 0 "[ . 1 . ]"
1 14 HYP 0.929 0.579 8 1 "[ . + 1 . ]"
1 15 GLY 6.812 0.408 6 0 "[ . 1 . ]"
1 16 CYS 5.606 0.348 4 0 "[ . 1 . ]"
1 17 TYR 2.737 0.579 8 1 "[ . + 1 . ]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 19 ALA 4.769 0.330 6 0 "[ . 1 . ]"
1 20 LEU 57.623 1.450 7 17 [******+********-*]
1 21 CYS 8.957 0.411 14 0 "[ . 1 . ]"
1 22 CYS 3.046 0.304 4 0 "[ . 1 . ]"
1 23 ARG 64.840 1.450 7 17 [******+********-*]
1 24 LYS 9.017 0.727 6 4 "[* *.+ 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 10 CYS H 1 10 CYS HB3 . 2.340 3.823 3.538 3.122 3.927 0.104 13 0 "[ . 1 . ]" 1
2 1 10 CYS H 1 10 CYS HB2 . 2.199 3.736 3.043 2.631 3.668 . 0 0 "[ . 1 . ]" 1
3 1 5 CYS HB2 1 6 LEU H . 2.664 3.512 3.799 3.762 3.842 0.330 1 0 "[ . 1 . ]" 1
4 1 5 CYS H 1 5 CYS HB3 . 2.577 3.768 3.927 3.895 3.958 0.190 4 0 "[ . 1 . ]" 1
5 1 5 CYS H 1 5 CYS HB2 . 2.259 2.737 2.932 2.890 2.983 0.246 15 0 "[ . 1 . ]" 1
6 1 4 CYS H 1 4 CYS HB2 . 2.340 2.941 2.347 2.289 2.394 0.051 3 0 "[ . 1 . ]" 1
7 1 4 CYS H 1 4 CYS HB3 . 2.208 2.511 2.182 2.162 2.195 0.046 4 0 "[ . 1 . ]" 1
8 1 4 CYS HB2 1 5 CYS H . 2.664 3.578 3.818 3.798 3.834 0.256 15 0 "[ . 1 . ]" 1
9 1 4 CYS HB3 1 5 CYS H . 2.728 3.222 2.613 2.575 2.647 0.153 2 0 "[ . 1 . ]" 1
10 1 4 CYS HA 1 4 CYS HB2 . 2.271 2.463 2.428 2.392 2.456 . 0 0 "[ . 1 . ]" 1
11 1 4 CYS HA 1 4 CYS HB3 . 2.342 2.737 3.022 3.019 3.025 0.288 12 0 "[ . 1 . ]" 1
12 1 4 CYS HB2 1 16 CYS HB2 . 2.210 2.958 2.620 2.572 2.653 . 0 0 "[ . 1 . ]" 1
13 1 4 CYS HB3 1 19 ALA MB . 2.305 3.486 2.956 2.906 2.991 . 0 0 "[ . 1 . ]" 1
14 1 4 CYS HB2 1 19 ALA MB . 2.271 3.419 2.906 2.837 2.962 . 0 0 "[ . 1 . ]" 1
15 1 4 CYS HB3 1 16 CYS HB2 . 2.951 3.683 4.013 3.984 4.031 0.348 4 0 "[ . 1 . ]" 1
16 1 3 HYP HA 1 4 CYS HB2 . 3.283 3.704 4.097 4.044 4.133 0.429 2 0 "[ . 1 . ]" 1
17 1 3 HYP HA 1 4 CYS HB3 . 3.283 3.704 3.884 3.820 3.945 0.241 6 0 "[ . 1 . ]" 1
18 1 13 PHE QD 1 15 GLY H . 3.500 7.000 6.761 6.738 6.780 . 0 0 "[ . 1 . ]" 1
19 1 6 LEU HG 1 7 TYR H . 3.500 5.000 4.110 3.287 4.754 0.213 4 0 "[ . 1 . ]" 1
20 1 19 ALA HA 1 20 LEU H . . 2.500 2.178 2.124 2.239 . 0 0 "[ . 1 . ]" 1
21 1 15 GLY H 1 15 GLY HA3 . . 2.500 2.901 2.894 2.908 0.408 6 0 "[ . 1 . ]" 1
22 1 11 ARG H 1 11 ARG HA . 2.500 3.500 3.033 3.011 3.059 . 0 0 "[ . 1 . ]" 1
23 1 9 SER QB 1 10 CYS H . 2.500 3.500 2.420 2.253 3.166 0.247 6 0 "[ . 1 . ]" 1
24 1 11 ARG H 1 11 ARG QD . 3.500 6.000 5.128 4.979 5.271 . 0 0 "[ . 1 . ]" 1
25 1 10 CYS HB3 1 11 ARG H . 2.500 3.500 3.594 3.233 3.896 0.396 4 0 "[ . 1 . ]" 1
26 1 10 CYS HB2 1 11 ARG H . 3.500 5.000 4.177 3.758 4.452 . 0 0 "[ . 1 . ]" 1
27 1 7 TYR HB3 1 8 GLY H . 2.500 4.000 4.212 4.181 4.247 0.247 10 0 "[ . 1 . ]" 1
28 1 11 ARG H 1 11 ARG QG . 2.500 4.500 4.159 4.106 4.211 . 0 0 "[ . 1 . ]" 1
29 1 6 LEU H 1 11 ARG QD . 3.500 6.000 4.760 4.168 5.489 . 0 0 "[ . 1 . ]" 1
30 1 24 LYS H 1 24 LYS HB2 . 2.500 3.500 2.569 2.429 3.150 0.071 1 0 "[ . 1 . ]" 1
31 1 23 ARG QG 1 24 LYS H . 3.500 6.000 4.001 3.367 4.351 0.133 14 0 "[ . 1 . ]" 1
32 1 24 LYS H 1 24 LYS QG . 3.500 6.000 3.812 2.773 4.361 0.727 6 4 "[* *.+ 1 -. ]" 1
33 1 6 LEU H 1 11 ARG QG . 3.500 6.000 4.774 3.415 5.416 0.085 7 0 "[ . 1 . ]" 1
34 1 6 LEU H 1 6 LEU HG . 3.500 5.000 4.867 4.585 4.996 . 0 0 "[ . 1 . ]" 1
35 1 3 HYP HA 1 5 CYS H . 2.500 3.500 3.609 3.544 3.691 0.191 8 0 "[ . 1 . ]" 1
36 1 12 HYP HA 1 13 PHE H . . 2.500 2.053 2.029 2.143 . 0 0 "[ . 1 . ]" 1
37 1 8 GLY HA3 1 9 SER H . 2.500 3.500 3.180 2.995 3.328 . 0 0 "[ . 1 . ]" 1
38 1 18 ASN HA 1 19 ALA H . 2.500 3.500 3.432 3.410 3.446 . 0 0 "[ . 1 . ]" 1
39 1 21 CYS H 1 21 CYS HA . 2.500 3.500 2.884 2.843 2.905 . 0 0 "[ . 1 . ]" 1
40 1 21 CYS HB2 1 23 ARG H . 3.500 5.000 5.236 5.177 5.298 0.298 10 0 "[ . 1 . ]" 1
41 1 23 ARG H 1 23 ARG QB . 2.500 3.500 2.400 2.241 2.643 0.259 4 0 "[ . 1 . ]" 1
42 1 23 ARG H 1 23 ARG QG . 2.500 4.500 3.502 2.149 4.115 0.351 7 0 "[ . 1 . ]" 1
43 1 19 ALA MB 1 21 CYS H . 3.500 6.000 3.782 3.589 4.017 . 0 0 "[ . 1 . ]" 1
44 1 7 TYR HA 1 7 TYR QE . 3.500 7.000 4.583 4.508 4.628 . 0 0 "[ . 1 . ]" 1
45 1 7 TYR HB2 1 7 TYR QD . 2.500 5.500 2.397 2.371 2.439 0.129 7 0 "[ . 1 . ]" 1
46 1 11 ARG QG 1 13 PHE QD . 3.500 8.000 3.465 3.074 4.613 0.426 8 0 "[ . 1 . ]" 1
47 1 23 ARG QB 1 23 ARG HE . 3.500 5.000 3.405 2.616 4.150 0.884 13 8 "[ * .*** 1 +-** ]" 1
48 1 11 ARG HB3 1 11 ARG HE . 2.500 3.500 3.493 2.366 3.650 0.150 3 0 "[ . 1 . ]" 1
49 1 23 ARG HE 1 23 ARG QG . 2.500 4.500 2.502 2.278 3.272 0.222 10 0 "[ . 1 . ]" 1
50 1 11 ARG HE 1 11 ARG QG . 2.500 4.500 2.760 2.305 3.060 0.195 15 0 "[ . 1 . ]" 1
51 1 19 ALA HA 1 20 LEU HA . 2.500 3.500 3.781 3.729 3.830 0.330 6 0 "[ . 1 . ]" 1
52 1 21 CYS HA 1 22 CYS QB . 3.500 6.000 5.242 5.057 5.515 . 0 0 "[ . 1 . ]" 1
53 1 13 PHE HA 1 13 PHE HB3 . 2.500 3.500 2.678 2.667 2.685 . 0 0 "[ . 1 . ]" 1
54 1 13 PHE HA 1 13 PHE HB2 . 2.500 3.500 3.118 3.114 3.125 . 0 0 "[ . 1 . ]" 1
55 1 23 ARG HA 1 23 ARG QD . 3.500 6.000 4.177 3.049 4.552 0.451 4 0 "[ . 1 . ]" 1
56 1 20 LEU HA 1 23 ARG QD . 3.500 6.000 3.580 2.574 5.041 0.926 10 8 "[** * -+** . *]" 1
57 1 11 ARG HA 1 11 ARG QG . 2.500 4.500 2.546 2.201 2.992 0.299 14 0 "[ . 1 . ]" 1
58 1 18 ASN HA 1 19 ALA MB . 3.500 6.000 5.074 5.055 5.092 . 0 0 "[ . 1 . ]" 1
59 1 20 LEU QD 1 21 CYS HA . 3.500 6.000 3.740 3.089 4.620 0.411 14 0 "[ . 1 . ]" 1
60 1 5 CYS HA 1 11 ARG QG . 3.500 6.000 5.109 4.161 5.557 . 0 0 "[ . 1 . ]" 1
61 1 23 ARG QB 1 23 ARG QD . 2.500 4.500 2.272 2.159 2.488 0.341 9 0 "[ . 1 . ]" 1
62 1 19 ALA MB 1 22 CYS QB . 3.500 7.000 4.429 4.006 4.761 . 0 0 "[ . 1 . ]" 1
63 1 6 LEU QB 1 11 ARG QD . 3.500 6.000 2.869 2.136 3.635 1.364 15 10 "[ * **- * * **+* ]" 1
64 1 20 LEU QD 1 23 ARG QD . 3.500 7.000 3.033 2.229 3.948 1.271 12 9 "[*** * ***+ .- ]" 1
65 1 6 LEU QD 1 11 ARG QD . 3.500 7.000 3.072 2.223 4.364 1.277 8 8 "[ * . + * ****-]" 1
66 1 6 LEU QD 1 11 ARG QG . 3.500 7.000 3.902 2.336 4.876 1.164 3 2 "[ + . 1 . -]" 1
67 1 6 LEU QB 1 11 ARG QG . 3.500 6.000 3.422 2.375 4.458 1.125 3 7 "[- + . * *1** . *]" 1
68 1 20 LEU MD1 1 20 LEU MD2 . 2.500 5.500 2.169 2.123 2.193 0.377 17 0 "[ . 1 . ]" 1
69 1 13 PHE H 1 13 PHE HB2 . 2.500 3.500 2.879 2.511 2.938 . 0 0 "[ . 1 . ]" 1
70 1 18 ASN HA 1 18 ASN HD21 . 3.500 5.000 4.003 3.896 4.116 . 0 0 "[ . 1 . ]" 1
71 1 17 TYR HB2 1 17 TYR QD . 2.500 5.500 2.699 2.624 2.735 . 0 0 "[ . 1 . ]" 1
72 1 17 TYR HB3 1 17 TYR QD . 2.500 5.500 2.394 2.365 2.450 0.135 12 0 "[ . 1 . ]" 1
73 1 20 LEU QD 1 23 ARG QB . 3.500 5.885 3.317 3.077 3.633 0.423 14 0 "[ . 1 . ]" 1
74 1 22 CYS H 1 24 LYS H . 3.500 5.000 5.179 5.100 5.304 0.304 4 0 "[ . 1 . ]" 1
75 1 17 TYR H 1 22 CYS QB . 3.500 6.000 5.122 4.999 5.418 . 0 0 "[ . 1 . ]" 1
76 1 5 CYS H 1 19 ALA MB . 3.500 6.000 5.030 4.981 5.081 . 0 0 "[ . 1 . ]" 1
77 1 18 ASN H 1 18 ASN HA . 2.500 3.500 3.026 3.015 3.041 . 0 0 "[ . 1 . ]" 1
78 1 14 HYP HA 1 17 TYR QD . 3.500 7.000 4.968 4.599 5.088 . 0 0 "[ . 1 . ]" 1
79 1 17 TYR QD 1 22 CYS QB . 3.500 8.000 5.958 5.837 6.124 . 0 0 "[ . 1 . ]" 1
80 1 14 HYP HA 1 17 TYR QE . 3.500 7.000 3.521 2.921 3.615 0.579 8 1 "[ . + 1 . ]" 1
81 1 20 LEU HA 1 23 ARG HA . 3.500 5.000 4.569 3.837 5.162 0.162 4 0 "[ . 1 . ]" 1
82 1 9 SER HA 1 9 SER QB . 2.500 2.500 2.371 2.128 2.461 0.372 15 0 "[ . 1 . ]" 1
83 1 2 HYP HA 1 3 HYP HD1 . . 2.500 4.487 4.021 5.498 2.998 9 17 [****-***+********] 1
84 1 7 TYR HA 1 8 GLY HA2 . 3.500 5.000 4.691 4.612 4.757 . 0 0 "[ . 1 . ]" 1
85 1 8 GLY HA2 1 21 CYS HB3 . 3.500 5.000 5.064 5.024 5.106 0.106 7 0 "[ . 1 . ]" 1
86 1 5 CYS HB3 1 8 GLY HA2 . 3.500 5.000 3.436 3.379 3.520 0.121 9 0 "[ . 1 . ]" 1
87 1 5 CYS HB2 1 21 CYS HB2 . 2.500 3.500 3.622 3.583 3.651 0.151 10 0 "[ . 1 . ]" 1
88 1 20 LEU HA 1 23 ARG QB . 3.500 3.500 2.686 2.452 3.123 1.048 14 15 "[***-******** +.**]" 1
89 1 11 ARG HA 1 11 ARG HB2 . 2.500 3.500 2.460 2.412 2.526 0.088 8 0 "[ . 1 . ]" 1
90 1 11 ARG HB2 1 11 ARG QD . 2.500 4.500 2.943 2.680 3.091 . 0 0 "[ . 1 . ]" 1
91 1 24 LYS HB2 1 24 LYS QG . 2.500 4.500 2.391 2.228 2.535 0.272 4 0 "[ . 1 . ]" 1
92 1 24 LYS H 1 24 LYS HB3 . 2.500 3.500 3.023 2.581 3.679 0.179 6 0 "[ . 1 . ]" 1
93 1 8 GLY HA2 1 21 CYS HB2 . 3.500 5.000 4.584 4.327 4.819 . 0 0 "[ . 1 . ]" 1
94 1 13 PHE HA 1 14 HYP HG . 2.500 4.500 4.490 4.478 4.500 0.000 1 0 "[ . 1 . ]" 1
95 1 23 ARG QD 1 24 LYS H . 3.500 7.000 5.192 3.539 5.997 . 0 0 "[ . 1 . ]" 1
96 1 2 HYP HG 1 13 PHE QD . 3.500 8.000 3.792 3.086 5.552 0.414 1 0 "[ . 1 . ]" 1
97 1 14 HYP HA 1 15 GLY HA3 . 3.500 6.000 4.428 4.418 4.436 . 0 0 "[ . 1 . ]" 1
98 1 10 CYS H 1 11 ARG QG . 3.500 7.000 6.224 5.884 6.352 . 0 0 "[ . 1 . ]" 1
99 1 8 GLY H 1 9 SER QB . 3.500 6.000 4.816 4.684 5.117 . 0 0 "[ . 1 . ]" 1
100 1 6 LEU QD 1 8 GLY H . 3.500 7.000 4.696 4.469 5.310 . 0 0 "[ . 1 . ]" 1
101 1 2 HYP HD1 1 13 PHE QD . 3.500 8.000 5.212 3.607 7.068 . 0 0 "[ . 1 . ]" 1
102 1 7 TYR QD 1 8 GLY HA2 . 3.500 8.000 6.637 6.575 6.705 . 0 0 "[ . 1 . ]" 1
103 1 18 ASN HA 1 18 ASN HD22 . 3.500 6.000 4.447 4.397 4.481 . 0 0 "[ . 1 . ]" 1
104 1 6 LEU QD 1 7 TYR HA . 3.515 6.097 3.923 3.546 4.700 . 0 0 "[ . 1 . ]" 1
105 1 16 CYS H 1 19 ALA MB . 3.500 7.000 4.540 4.499 4.571 . 0 0 "[ . 1 . ]" 1
106 1 20 LEU QD 1 23 ARG HE . 4.301 7.000 3.708 2.851 4.941 1.450 7 8 "[ - * + *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 136
_Distance_constraint_stats_list.Viol_count 1334
_Distance_constraint_stats_list.Viol_total 4031.664
_Distance_constraint_stats_list.Viol_max 1.841
_Distance_constraint_stats_list.Viol_rms 0.1968
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1026
_Distance_constraint_stats_list.Viol_average_violations_only 0.1778
_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 GLY 0.003 0.002 5 0 "[ . 1 . ]"
1 2 HYP 3.958 0.375 15 0 "[ . 1 . ]"
1 3 HYP 21.586 1.441 5 13 "[* **+* *-1***** *]"
1 4 CYS 8.287 0.303 11 0 "[ . 1 . ]"
1 5 CYS 24.013 0.482 14 0 "[ . 1 . ]"
1 6 LEU 97.757 1.841 16 17 [*******-*******+*]
1 7 TYR 47.939 1.841 16 17 [-**************+*]
1 8 GLY 10.379 0.285 7 0 "[ . 1 . ]"
1 9 SER 23.718 0.468 11 0 "[ . 1 . ]"
1 10 CYS 0.567 0.081 14 0 "[ . 1 . ]"
1 11 ARG 24.119 1.369 9 13 "[* **** *+1****- *]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 14 HYP 5.742 0.190 1 0 "[ . 1 . ]"
1 15 GLY 9.381 0.275 12 0 "[ . 1 . ]"
1 16 CYS 22.862 0.275 12 0 "[ . 1 . ]"
1 17 TYR 7.947 0.218 13 0 "[ . 1 . ]"
1 18 ASN 21.945 0.333 12 0 "[ . 1 . ]"
1 19 ALA 6.708 0.172 14 0 "[ . 1 . ]"
1 20 LEU 11.386 0.512 4 1 "[ +. 1 . ]"
1 21 CYS 11.596 0.289 7 0 "[ . 1 . ]"
1 22 CYS 4.423 0.184 4 0 "[ . 1 . ]"
1 23 ARG 7.126 0.241 4 0 "[ . 1 . ]"
1 24 LYS 3.060 0.241 4 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 7 TYR H 1 8 GLY H 3.008 2.815 3.008 3.079 3.028 3.139 0.131 14 0 "[ . 1 . ]" 2
2 1 6 LEU H 1 7 TYR H 4.372 3.892 4.372 4.219 4.183 4.301 . 0 0 "[ . 1 . ]" 2
3 1 15 GLY H 1 16 CYS H 2.727 2.705 2.727 2.696 2.680 2.732 0.025 9 0 "[ . 1 . ]" 2
4 1 4 CYS H 1 5 CYS H 2.794 2.532 2.794 2.627 2.513 2.787 0.019 6 0 "[ . 1 . ]" 2
5 1 5 CYS H 1 6 LEU H 3.462 3.191 3.462 3.865 3.828 3.944 0.482 14 0 "[ . 1 . ]" 2
6 1 15 GLY H 1 17 TYR H 4.475 3.620 4.475 4.392 4.268 4.488 0.013 12 0 "[ . 1 . ]" 2
7 1 16 CYS H 1 17 TYR H 2.478 2.387 2.478 2.556 2.535 2.583 0.105 1 0 "[ . 1 . ]" 2
8 1 7 TYR H 1 9 SER H 4.958 4.481 4.958 4.410 4.347 4.448 0.134 14 0 "[ . 1 . ]" 2
9 1 8 GLY H 1 9 SER H 2.865 2.757 2.865 2.855 2.741 2.934 0.069 14 0 "[ . 1 . ]" 2
10 1 6 LEU H 1 9 SER H 3.089 3.031 3.089 3.206 3.134 3.246 0.157 11 0 "[ . 1 . ]" 2
11 1 23 ARG H 1 24 LYS H 3.437 3.143 3.437 3.337 2.902 3.653 0.241 4 0 "[ . 1 . ]" 2
12 1 17 TYR H 1 17 TYR QD 3.102 . 5.102 2.853 2.538 2.962 . 0 0 "[ . 1 . ]" 2
13 1 7 TYR H 1 7 TYR QD 3.564 . 5.564 3.148 2.661 3.482 . 0 0 "[ . 1 . ]" 2
14 1 15 GLY H 1 17 TYR QD 4.330 . 6.330 4.385 4.056 4.529 . 0 0 "[ . 1 . ]" 2
15 1 7 TYR H 1 7 TYR QE 5.159 2.466 7.159 4.562 4.331 4.734 . 0 0 "[ . 1 . ]" 2
16 1 15 GLY H 1 17 TYR QE 4.656 2.446 6.656 3.315 2.847 3.611 . 0 0 "[ . 1 . ]" 2
17 1 13 PHE QD 1 16 CYS H 5.729 2.754 7.729 5.510 5.408 5.623 . 0 0 "[ . 1 . ]" 2
18 1 16 CYS H 1 17 TYR QD 4.977 2.169 6.977 4.304 4.005 4.412 . 0 0 "[ . 1 . ]" 2
19 1 17 TYR H 1 17 TYR QE 5.125 . 7.125 3.965 3.903 4.052 . 0 0 "[ . 1 . ]" 2
20 1 7 TYR QD 1 8 GLY H 5.003 . 7.003 4.766 4.600 4.927 . 0 0 "[ . 1 . ]" 2
21 1 6 LEU HA 1 7 TYR H 2.206 2.192 2.206 2.196 2.173 2.221 0.019 6 0 "[ . 1 . ]" 2
22 1 7 TYR H 1 7 TYR HB3 3.446 2.952 3.446 3.832 3.793 3.880 0.434 6 0 "[ . 1 . ]" 2
23 1 7 TYR H 1 7 TYR HB2 3.315 3.191 3.315 3.406 3.354 3.440 0.125 7 0 "[ . 1 . ]" 2
24 1 6 LEU QB 1 7 TYR H 4.095 3.507 4.095 3.619 3.279 3.771 0.228 3 0 "[ . 1 . ]" 2
25 1 6 LEU QD 1 7 TYR H 3.833 3.725 4.833 2.290 1.884 3.025 1.841 16 17 [-**************+*] 2
26 1 20 LEU H 1 20 LEU HA 2.650 2.638 2.650 2.727 2.694 2.748 0.098 10 0 "[ . 1 . ]" 2
27 1 14 HYP HA 1 15 GLY H 2.135 2.068 2.135 1.891 1.878 1.909 0.190 1 0 "[ . 1 . ]" 2
28 1 15 GLY H 1 15 GLY HA2 2.365 2.305 2.365 2.403 2.395 2.409 0.044 9 0 "[ . 1 . ]" 2
29 1 5 CYS HA 1 11 ARG H 3.765 3.400 3.765 3.358 3.243 3.653 0.157 13 0 "[ . 1 . ]" 2
30 1 10 CYS HA 1 11 ARG H 2.225 2.092 2.225 2.064 2.022 2.090 0.070 11 0 "[ . 1 . ]" 2
31 1 3 HYP HA 1 4 CYS H 2.255 2.152 2.255 1.868 1.849 1.879 0.303 11 0 "[ . 1 . ]" 2
32 1 7 TYR HA 1 8 GLY H 2.610 2.585 2.610 2.626 2.558 2.687 0.077 10 0 "[ . 1 . ]" 2
33 1 5 CYS HB2 1 8 GLY H 4.056 3.604 4.056 4.109 4.025 4.200 0.144 10 0 "[ . 1 . ]" 2
34 1 19 ALA MB 1 20 LEU H 3.553 2.248 4.553 2.494 2.307 2.614 . 0 0 "[ . 1 . ]" 2
35 1 11 ARG H 1 11 ARG HB3 2.682 2.670 2.682 2.727 2.663 2.803 0.121 15 0 "[ . 1 . ]" 2
36 1 11 ARG H 1 11 ARG HB2 3.017 2.741 3.017 3.094 2.945 3.255 0.238 8 0 "[ . 1 . ]" 2
37 1 4 CYS H 1 19 ALA MB 4.732 2.950 5.732 4.421 4.298 4.494 . 0 0 "[ . 1 . ]" 2
38 1 5 CYS HA 1 6 LEU H 2.280 2.264 2.280 2.009 1.973 2.064 0.291 1 0 "[ . 1 . ]" 2
39 1 6 LEU H 1 6 LEU HA 2.841 2.809 2.841 3.002 2.965 3.041 0.200 15 0 "[ . 1 . ]" 2
40 1 16 CYS H 1 16 CYS HA 2.851 2.671 2.851 2.982 2.974 2.991 0.140 4 0 "[ . 1 . ]" 2
41 1 14 HYP HA 1 16 CYS H 3.271 2.854 3.271 3.432 3.421 3.454 0.183 9 0 "[ . 1 . ]" 2
42 1 15 GLY HA3 1 16 CYS H 3.087 3.016 3.087 3.338 3.304 3.362 0.275 12 0 "[ . 1 . ]" 2
43 1 5 CYS HB3 1 6 LEU H 3.029 2.604 3.029 3.162 3.123 3.229 0.200 9 0 "[ . 1 . ]" 2
44 1 15 GLY HA2 1 16 CYS H 3.083 3.043 3.083 3.156 3.125 3.201 0.118 6 0 "[ . 1 . ]" 2
45 1 16 CYS H 1 16 CYS HB2 2.943 2.561 2.943 2.954 2.882 2.985 0.042 4 0 "[ . 1 . ]" 2
46 1 16 CYS H 1 16 CYS HB3 2.338 2.288 2.338 2.467 2.460 2.477 0.139 5 0 "[ . 1 . ]" 2
47 1 13 PHE HB2 1 16 CYS H 4.364 3.583 4.364 3.730 3.605 3.869 . 0 0 "[ . 1 . ]" 2
48 1 6 LEU H 1 6 LEU QB . 2.692 2.795 2.617 2.563 2.656 0.129 1 0 "[ . 1 . ]" 2
49 1 6 LEU H 1 6 LEU QD 5.564 3.375 6.395 3.989 3.801 4.087 . 0 0 "[ . 1 . ]" 2
50 1 5 CYS H 1 5 CYS HA 2.961 2.781 2.961 2.966 2.923 2.984 0.023 3 0 "[ . 1 . ]" 2
51 1 4 CYS HA 1 5 CYS H 3.253 2.834 3.253 3.454 3.430 3.477 0.224 5 0 "[ . 1 . ]" 2
52 1 13 PHE H 1 13 PHE HA 3.144 2.727 3.144 3.044 3.029 3.087 . 0 0 "[ . 1 . ]" 2
53 1 9 SER H 1 9 SER HA 2.931 2.666 2.931 2.946 2.876 2.980 0.049 12 0 "[ . 1 . ]" 2
54 1 7 TYR HA 1 9 SER H 4.346 3.568 4.346 4.294 4.224 4.345 . 0 0 "[ . 1 . ]" 2
55 1 16 CYS HA 1 19 ALA H 3.811 3.263 3.811 3.115 3.091 3.141 0.172 14 0 "[ . 1 . ]" 2
56 1 23 ARG H 1 23 ARG HA 2.751 2.715 2.751 2.858 2.814 2.921 0.170 4 0 "[ . 1 . ]" 2
57 1 18 ASN H 1 18 ASN HB2 3.259 2.848 3.259 2.883 2.824 2.977 0.024 15 0 "[ . 1 . ]" 2
58 1 16 CYS HB2 1 17 TYR H 3.597 3.156 3.597 3.787 3.745 3.815 0.218 13 0 "[ . 1 . ]" 2
59 1 8 GLY HA2 1 9 SER H 3.146 2.829 3.146 3.368 3.331 3.427 0.281 15 0 "[ . 1 . ]" 2
60 1 21 CYS HB2 1 22 CYS H 3.586 3.151 3.586 3.545 3.308 3.728 0.142 4 0 "[ . 1 . ]" 2
61 1 18 ASN HB2 1 18 ASN HD21 3.114 2.759 3.114 3.426 3.395 3.446 0.332 17 0 "[ . 1 . ]" 2
62 1 18 ASN HB2 1 19 ALA H 4.471 3.709 4.471 4.324 4.309 4.348 . 0 0 "[ . 1 . ]" 2
63 1 18 ASN HB3 1 19 ALA H 4.151 3.417 4.151 3.356 3.337 3.370 0.080 9 0 "[ . 1 . ]" 2
64 1 18 ASN H 1 18 ASN HB3 2.991 2.696 2.991 2.631 2.591 2.649 0.105 12 0 "[ . 1 . ]" 2
65 1 19 ALA H 1 19 ALA MB 2.747 . 3.747 2.397 2.364 2.429 . 0 0 "[ . 1 . ]" 2
66 1 18 ASN HB3 1 18 ASN HD21 2.840 2.727 2.840 2.420 2.405 2.439 0.322 13 0 "[ . 1 . ]" 2
67 1 13 PHE QD 1 14 HYP HG 4.096 . 6.096 4.188 4.104 4.289 . 0 0 "[ . 1 . ]" 2
68 1 17 TYR HA 1 17 TYR QD 3.162 . 5.162 3.780 3.748 3.795 . 0 0 "[ . 1 . ]" 2
69 1 15 GLY HA2 1 17 TYR QD 4.419 . 6.419 4.436 4.027 4.768 . 0 0 "[ . 1 . ]" 2
70 1 7 TYR HA 1 7 TYR QD 2.842 . 4.842 2.414 2.304 2.618 . 0 0 "[ . 1 . ]" 2
71 1 11 ARG HA 1 11 ARG HE 3.825 3.175 3.825 3.719 3.107 4.343 0.518 15 1 "[ . 1 + ]" 2
72 1 23 ARG HA 1 23 ARG HE 5.027 3.991 5.027 4.878 4.337 5.106 0.079 17 0 "[ . 1 . ]" 2
73 1 20 LEU HA 1 23 ARG HE 4.380 3.772 4.380 4.038 3.595 4.392 0.177 14 0 "[ . 1 . ]" 2
74 1 15 GLY HA2 1 17 TYR QE 4.104 . 6.104 4.292 3.804 4.715 . 0 0 "[ . 1 . ]" 2
75 1 13 PHE HB3 1 13 PHE QD 2.772 . 4.772 2.553 2.457 2.616 . 0 0 "[ . 1 . ]" 2
76 1 13 PHE HB2 1 13 PHE QD 2.699 . 4.699 2.357 2.330 2.418 . 0 0 "[ . 1 . ]" 2
77 1 7 TYR HB3 1 7 TYR QD 2.901 . 4.901 2.774 2.612 2.884 . 0 0 "[ . 1 . ]" 2
78 1 17 TYR QD 1 18 ASN HB2 4.718 . 6.718 3.750 3.627 3.904 . 0 0 "[ . 1 . ]" 2
79 1 17 TYR QD 1 18 ASN HB3 4.580 . 6.580 4.675 4.425 4.867 . 0 0 "[ . 1 . ]" 2
80 1 18 ASN HB2 1 18 ASN HD22 3.760 3.117 3.760 3.920 3.900 3.937 0.177 17 0 "[ . 1 . ]" 2
81 1 18 ASN HB3 1 18 ASN HD22 3.678 2.946 3.678 3.676 3.673 3.680 0.002 13 0 "[ . 1 . ]" 2
82 1 7 TYR HB3 1 7 TYR QE 4.870 . 6.870 4.583 4.544 4.640 . 0 0 "[ . 1 . ]" 2
83 1 17 TYR QE 1 18 ASN HB2 4.923 2.157 6.923 4.845 4.363 5.089 . 0 0 "[ . 1 . ]" 2
84 1 17 TYR QE 1 18 ASN HB3 4.784 2.103 6.784 5.571 5.311 5.699 . 0 0 "[ . 1 . ]" 2
85 1 11 ARG HB3 1 13 PHE QD 3.730 . 5.730 3.774 3.407 3.986 . 0 0 "[ . 1 . ]" 2
86 1 6 LEU QB 1 7 TYR QD 4.085 . 6.085 4.180 3.364 4.811 . 0 0 "[ . 1 . ]" 2
87 1 6 LEU HG 1 7 TYR QD 3.538 . 5.538 4.402 2.288 5.431 . 0 0 "[ . 1 . ]" 2
88 1 6 LEU QD 1 7 TYR QD 4.776 . 7.609 2.821 2.471 3.151 . 0 0 "[ . 1 . ]" 2
89 1 6 LEU QB 1 11 ARG HE 4.067 3.640 4.067 2.869 2.271 3.424 1.369 9 12 "[* **** -+1****. *]" 2
90 1 6 LEU QD 1 11 ARG HE 4.644 3.717 5.644 3.827 3.051 4.329 0.666 17 1 "[ . 1 . +]" 2
91 1 6 LEU QD 1 7 TYR QE 4.593 . 7.570 3.009 2.752 3.215 . 0 0 "[ . 1 . ]" 2
92 1 6 LEU HG 1 7 TYR QE 4.209 . 6.209 4.806 3.411 5.575 . 0 0 "[ . 1 . ]" 2
93 1 2 HYP HA 1 2 HYP HG 4.982 3.672 4.982 4.057 4.001 4.195 . 0 0 "[ . 1 . ]" 2
94 1 20 LEU HA 1 21 CYS HA 4.882 3.866 4.882 4.949 4.927 4.970 0.088 10 0 "[ . 1 . ]" 2
95 1 16 CYS HA 1 16 CYS HB2 2.818 2.307 2.818 2.279 2.271 2.285 0.036 4 0 "[ . 1 . ]" 2
96 1 21 CYS HA 1 21 CYS HB2 2.292 2.075 2.292 2.449 2.415 2.491 0.199 14 0 "[ . 1 . ]" 2
97 1 2 HYP HD1 1 2 HYP HG 2.979 2.610 2.979 2.454 2.235 2.828 0.375 15 0 "[ . 1 . ]" 2
98 1 7 TYR HA 1 7 TYR HB3 2.410 2.340 2.410 2.321 2.280 2.368 0.060 15 0 "[ . 1 . ]" 2
99 1 21 CYS HA 1 21 CYS HB3 2.234 . 2.234 2.340 2.323 2.356 0.122 16 0 "[ . 1 . ]" 2
100 1 17 TYR HA 1 17 TYR HB2 2.398 2.291 2.398 2.540 2.493 2.591 0.193 12 0 "[ . 1 . ]" 2
101 1 7 TYR HA 1 7 TYR HB2 2.594 2.262 2.594 2.958 2.949 2.971 0.377 3 0 "[ . 1 . ]" 2
102 1 17 TYR HA 1 17 TYR HB3 2.404 2.297 2.404 2.241 2.206 2.275 0.091 12 0 "[ . 1 . ]" 2
103 1 18 ASN HA 1 18 ASN HB2 2.638 2.383 2.638 2.488 2.448 2.517 . 0 0 "[ . 1 . ]" 2
104 1 4 CYS HB3 1 16 CYS HA 4.151 3.120 4.151 3.606 3.522 3.703 . 0 0 "[ . 1 . ]" 2
105 1 18 ASN HA 1 18 ASN HB3 2.666 2.337 2.666 2.996 2.992 2.999 0.333 12 0 "[ . 1 . ]" 2
106 1 11 ARG HA 1 11 ARG HB3 2.751 2.462 2.751 3.010 2.956 3.027 0.276 8 0 "[ . 1 . ]" 2
107 1 16 CYS HA 1 19 ALA MB 3.931 2.379 4.931 2.250 2.225 2.275 0.154 16 0 "[ . 1 . ]" 2
108 1 6 LEU HA 1 6 LEU QB . 2.498 2.512 2.371 2.270 2.472 0.228 15 0 "[ . 1 . ]" 2
109 1 20 LEU HA 1 20 LEU QD 3.496 2.300 4.383 2.228 2.163 2.551 0.137 4 0 "[ . 1 . ]" 2
110 1 6 LEU HA 1 6 LEU QD 3.781 2.453 4.039 2.209 2.030 2.493 0.423 3 0 "[ . 1 . ]" 2
111 1 6 LEU HA 1 6 LEU HG 3.146 3.047 3.146 3.261 2.866 3.569 0.423 9 0 "[ . 1 . ]" 2
112 1 3 HYP HG 1 6 LEU QD 4.912 3.810 5.912 2.825 2.369 3.689 1.441 5 13 "[* **+* *-1***** *]" 2
113 1 19 ALA MB 1 20 LEU HA 4.743 3.305 5.743 4.436 4.380 4.481 . 0 0 "[ . 1 . ]" 2
114 1 6 LEU QB 1 6 LEU QD 3.067 2.065 4.041 2.062 1.975 2.145 0.090 1 0 "[ . 1 . ]" 2
115 1 6 LEU QB 1 6 LEU HG 2.388 2.370 2.388 2.189 2.093 2.340 0.277 5 0 "[ . 1 . ]" 2
116 1 20 LEU H 1 20 LEU QD 5.139 4.021 6.139 3.678 3.509 3.854 0.512 4 1 "[ +. 1 . ]" 2
117 1 21 CYS H 1 21 CYS HB2 3.239 2.868 3.239 3.501 3.480 3.528 0.289 7 0 "[ . 1 . ]" 2
118 1 21 CYS H 1 21 CYS HB3 2.885 2.801 2.885 2.744 2.707 2.794 0.094 3 0 "[ . 1 . ]" 2
119 1 20 LEU HA 1 21 CYS H 3.753 3.565 3.753 3.612 3.587 3.652 . 0 0 "[ . 1 . ]" 2
120 1 13 PHE HA 1 13 PHE QD 2.931 . 4.931 2.620 2.474 2.845 . 0 0 "[ . 1 . ]" 2
121 1 5 CYS HA 1 5 CYS HB3 2.497 2.368 2.497 2.310 2.264 2.345 0.104 9 0 "[ . 1 . ]" 2
122 1 5 CYS HA 1 5 CYS HB2 2.729 2.356 2.729 2.964 2.947 2.973 0.244 16 0 "[ . 1 . ]" 2
123 1 19 ALA H 1 20 LEU H 4.560 3.788 4.560 4.567 4.558 4.580 0.020 6 0 "[ . 1 . ]" 2
124 1 9 SER H 1 10 CYS H 4.521 3.473 4.521 4.377 4.142 4.602 0.081 14 0 "[ . 1 . ]" 2
125 1 6 LEU H 1 8 GLY H 4.618 4.165 4.618 4.205 4.072 4.307 0.093 15 0 "[ . 1 . ]" 2
126 1 13 PHE H 1 13 PHE QD 3.965 . 5.965 3.777 2.985 4.014 . 0 0 "[ . 1 . ]" 2
127 1 22 CYS HA 1 24 LYS H 4.597 4.146 4.597 4.154 4.069 4.666 0.077 2 0 "[ . 1 . ]" 2
128 1 6 LEU H 1 9 SER QB 4.503 4.383 4.503 3.968 3.915 4.268 0.468 11 0 "[ . 1 . ]" 2
129 1 5 CYS HA 1 9 SER H 4.516 3.804 4.516 4.106 3.804 4.544 0.028 14 0 "[ . 1 . ]" 2
130 1 7 TYR HB3 1 9 SER H 4.176 3.499 4.176 4.487 4.421 4.582 0.406 1 0 "[ . 1 . ]" 2
131 1 18 ASN HD21 1 19 ALA HA 4.071 3.539 4.071 4.120 4.112 4.128 0.057 13 0 "[ . 1 . ]" 2
132 1 5 CYS HA 1 6 LEU HA 4.706 3.754 4.706 4.554 4.528 4.582 . 0 0 "[ . 1 . ]" 2
133 1 1 GLY QA 1 2 HYP HA 3.971 3.218 3.971 3.939 3.894 3.973 0.002 5 0 "[ . 1 . ]" 2
134 1 20 LEU H 1 22 CYS H 4.676 3.939 4.676 4.743 4.712 4.860 0.184 4 0 "[ . 1 . ]" 2
135 1 8 GLY HA3 1 9 SER HA 3.882 3.297 3.882 4.084 4.037 4.167 0.285 7 0 "[ . 1 . ]" 2
136 1 22 CYS HA 1 23 ARG HA 4.447 3.977 4.447 4.571 4.514 4.621 0.174 2 0 "[ . 1 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 5
_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 2 HYP 0.000 0.000 . 0 "[ . 1 . ]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 14 HYP 0.000 0.000 . 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 13 PHE QE 1 14 HYP HG . . 7.000 6.062 6.014 6.090 . 0 0 "[ . 1 . ]" 3
2 1 2 HYP HG 1 13 PHE QE . . 7.000 2.951 2.531 3.564 . 0 0 "[ . 1 . ]" 3
3 1 11 ARG HB3 1 13 PHE QE . . 5.500 3.565 2.902 3.836 . 0 0 "[ . 1 . ]" 3
4 1 11 ARG QG 1 13 PHE QE . . 8.000 2.349 2.135 3.143 . 0 0 "[ . 1 . ]" 3
5 1 2 HYP HD1 1 13 PHE QE . . 7.000 3.817 2.389 4.932 . 0 0 "[ . 1 . ]" 3
stop_
save_
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