NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
371843 |
1cxr   |
4509 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cxr
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 274
_Distance_constraint_stats_list.Viol_count 650
_Distance_constraint_stats_list.Viol_total 3269.299
_Distance_constraint_stats_list.Viol_max 2.473
_Distance_constraint_stats_list.Viol_rms 0.3157
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1193
_Distance_constraint_stats_list.Viol_average_violations_only 0.5030
_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 THR 0.000 0.000 . 0 "[ . 1]"
1 2 THR 22.438 1.694 9 10 [**-*****+*]
1 3 CYS 26.669 1.912 8 10 [******-+**]
1 4 CYS 20.813 1.716 6 8 "[** **+*-*1]"
1 5 PRO 1.406 0.839 6 1 "[ .+ 1]"
1 6 SER 4.552 0.797 6 3 "[ .+* *]"
1 7 ILE 4.159 0.562 6 1 "[ .+ 1]"
1 8 VAL 0.071 0.071 6 0 "[ . 1]"
1 9 ALA 4.948 0.839 6 3 "[ .+- *]"
1 10 ARG 24.821 2.000 4 9 [***+***-*1]
1 11 SER 8.139 0.502 7 1 "[ . + 1]"
1 12 ASN 23.260 1.656 7 5 "[* *** + 1]"
1 13 PHE 33.025 1.732 3 8 "[* +**** **]"
1 14 ASN 6.470 0.809 7 1 "[ . + 1]"
1 15 VAL 55.000 2.473 2 10 [*+****-***]
1 16 CYS 1.801 0.951 4 2 "[ +- 1]"
1 17 ARG 13.946 1.032 7 7 "[- ***+ **]"
1 18 LEU 7.457 1.509 7 2 "[- . + 1]"
1 19 PRO 0.564 0.265 5 0 "[ . 1]"
1 20 GLY 0.564 0.265 5 0 "[ . 1]"
1 21 THR 1.559 0.840 5 1 "[ + 1]"
1 22 SER 38.352 2.473 2 10 [*+**-*****]
1 23 GLU 2.425 0.231 9 0 "[ . 1]"
1 24 ALA 6.684 1.305 2 5 "[ +-*.* * 1]"
1 25 ILE 28.889 2.109 10 10 [**-******+]
1 26 CYS 16.812 1.463 6 10 [**-**+****]
1 27 ALA 23.941 1.732 3 10 [**+*******]
1 28 THR 15.305 2.109 10 9 "[** **-***+]"
1 29 TYR 8.452 0.960 2 5 "[ + **- *1]"
1 30 THR 20.043 1.067 3 9 "[ *+-******]"
1 31 GLY 3.686 0.453 2 0 "[ . 1]"
1 32 CYS 30.400 1.767 8 10 [***-***+**]
1 33 ILE 14.227 1.144 7 10 [******+-**]
1 34 ILE 32.243 1.782 1 10 [+*****-***]
1 35 ILE 18.979 1.912 8 7 "[ **.**+-*]"
1 36 PRO 2.375 0.441 9 0 "[ . 1]"
1 37 GLY 0.613 0.429 9 0 "[ . 1]"
1 38 ALA 1.546 0.603 3 1 "[ + . 1]"
1 39 THR 1.415 0.603 3 1 "[ + . 1]"
1 40 CYS 12.874 1.780 3 5 "[ + .* *-*]"
1 41 PRO 7.615 0.768 6 6 "[- * .+** *]"
1 42 GLY 5.874 0.765 10 4 "[- * . * +]"
1 43 ASP 4.517 0.542 10 1 "[ . +]"
1 44 TYR 17.403 1.767 8 7 "[ ***.**+ *]"
1 45 ALA 0.000 0.000 . 0 "[ . 1]"
1 46 ASN 22.686 1.716 6 10 [*****+*-**]
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 ARG H 1 10 ARG HE . . 4.350 4.882 3.997 6.350 2.000 4 5 "[ +.**-*1]" 1
2 1 23 GLU H 1 23 GLU HA . . 3.080 2.852 2.645 2.879 . 0 0 "[ . 1]" 1
3 1 23 GLU H 1 23 GLU QG . . 4.730 2.656 2.199 3.609 . 0 0 "[ . 1]" 1
4 1 23 GLU H 1 23 GLU HB2 . . 2.950 2.359 2.252 2.551 . 0 0 "[ . 1]" 1
5 1 23 GLU H 1 23 GLU HB3 . . 3.540 3.560 3.515 3.607 0.067 9 0 "[ . 1]" 1
6 1 26 CYS H 1 27 ALA H . . 3.190 2.446 2.216 2.740 . 0 0 "[ . 1]" 1
7 1 27 ALA H 1 28 THR H . . 3.410 2.761 2.534 2.880 . 0 0 "[ . 1]" 1
8 1 13 PHE QE 1 27 ALA H . . 3.240 3.249 2.578 4.644 1.404 3 2 "[ + . -]" 1
9 1 13 PHE QD 1 27 ALA H . . 4.490 4.275 3.439 5.585 1.095 3 1 "[ + . 1]" 1
10 1 26 CYS QB 1 27 ALA H . . 3.580 3.422 2.781 3.825 0.245 3 0 "[ . 1]" 1
11 1 10 ARG HA 1 13 PHE H . . 3.790 3.223 2.840 3.506 . 0 0 "[ . 1]" 1
12 1 13 PHE H 1 14 ASN H . . 3.320 2.624 2.433 3.174 . 0 0 "[ . 1]" 1
13 1 12 ASN H 1 13 PHE H . . 3.040 2.421 2.338 2.531 . 0 0 "[ . 1]" 1
14 1 13 PHE H 1 13 PHE QD . . 3.830 4.060 3.996 4.120 0.290 4 0 "[ . 1]" 1
15 1 16 CYS H 1 16 CYS HA . . 2.960 2.859 2.842 2.890 . 0 0 "[ . 1]" 1
16 1 13 PHE H 1 13 PHE QB . . 2.910 2.101 2.060 2.164 . 0 0 "[ . 1]" 1
17 1 12 ASN HB2 1 13 PHE H . . 3.480 3.015 2.645 3.543 0.063 3 0 "[ . 1]" 1
18 1 12 ASN HB3 1 13 PHE H . . 3.610 3.913 3.314 4.181 0.571 1 3 "[+ - * 1]" 1
19 1 13 PHE H 1 30 THR MG . . 4.850 3.913 3.035 4.689 . 0 0 "[ . 1]" 1
20 1 15 VAL HB 1 16 CYS H . . 3.290 3.264 2.772 4.241 0.951 4 2 "[ +- 1]" 1
21 1 7 ILE H 1 8 VAL H . . 3.410 2.457 2.282 2.707 . 0 0 "[ . 1]" 1
22 1 6 SER HA 1 7 ILE H . . 3.100 2.581 2.282 3.610 0.510 6 1 "[ .+ 1]" 1
23 1 7 ILE H 1 7 ILE HB . . 3.150 2.945 2.306 3.631 0.481 9 0 "[ . 1]" 1
24 1 7 ILE H 1 7 ILE QG . . 3.610 3.184 2.065 4.172 0.562 6 1 "[ .+ 1]" 1
25 1 33 ILE H 1 34 ILE HA . . 3.940 4.786 4.695 5.084 1.144 7 10 [****-*+***] 1
26 1 3 CYS H 1 3 CYS QB . . 2.910 2.445 2.251 2.762 . 0 0 "[ . 1]" 1
27 1 3 CYS H 1 34 ILE HA . . 3.600 4.688 3.449 5.382 1.782 1 8 "[+* ***-**1]" 1
28 1 30 THR HA 1 31 GLY H . . 3.380 3.278 2.974 3.549 0.169 4 0 "[ . 1]" 1
29 1 2 THR HA 1 3 CYS H . . 2.390 2.213 2.152 2.357 . 0 0 "[ . 1]" 1
30 1 3 CYS HA 1 4 CYS H . . 2.650 2.299 2.221 2.370 . 0 0 "[ . 1]" 1
31 1 2 THR HB 1 3 CYS H . . 3.780 4.092 2.891 4.444 0.664 1 3 "[+ - . *]" 1
32 1 32 CYS QB 1 33 ILE H . . 2.990 2.320 2.062 2.597 . 0 0 "[ . 1]" 1
33 1 2 THR MG 1 33 ILE H . . 4.300 3.367 2.962 4.063 . 0 0 "[ . 1]" 1
34 1 33 ILE H 1 33 ILE HG13 . . 3.200 3.137 2.545 4.012 0.812 1 3 "[+ .- *]" 1
35 1 4 CYS H 1 46 ASN H . . 3.630 4.584 3.732 5.346 1.716 6 8 "[** **+-**1]" 1
36 1 4 CYS H 1 10 ARG QH1 . . 4.720 4.016 2.519 4.650 . 0 0 "[ . 1]" 1
37 1 3 CYS H 1 10 ARG QH1 . . 5.140 4.818 3.946 6.602 1.462 4 2 "[ - +. 1]" 1
38 1 33 ILE H 1 33 ILE HG12 . . 3.190 2.398 2.201 2.668 . 0 0 "[ . 1]" 1
39 1 4 CYS H 1 44 TYR QD . . 4.000 4.106 3.106 5.069 1.069 7 4 "[ * .*+- 1]" 1
40 1 2 THR MG 1 3 CYS H . . 4.010 2.778 2.445 3.301 . 0 0 "[ . 1]" 1
41 1 33 ILE H 1 33 ILE MD . . 4.560 3.397 2.109 4.066 . 0 0 "[ . 1]" 1
42 1 28 THR HA 1 29 TYR H . . 3.380 3.519 3.295 3.608 0.228 6 0 "[ . 1]" 1
43 1 33 ILE H 1 33 ILE HB . . 3.970 3.779 3.645 3.849 . 0 0 "[ . 1]" 1
44 1 33 ILE H 1 33 ILE MG . . 4.400 2.958 2.576 3.115 . 0 0 "[ . 1]" 1
45 1 42 GLY H 1 43 ASP H . . 3.930 3.026 2.421 4.472 0.542 10 1 "[ . +]" 1
46 1 41 PRO HA 1 42 GLY H . . 2.870 2.785 2.347 3.438 0.568 7 3 "[- * . + 1]" 1
47 1 42 GLY H 1 42 GLY HA2 . . 2.680 2.682 2.331 2.886 0.206 2 0 "[ . 1]" 1
48 1 41 PRO HB2 1 42 GLY H . . 3.660 3.039 2.240 4.425 0.765 10 1 "[ . +]" 1
49 1 40 CYS H 1 40 CYS HB3 . . 3.220 3.553 3.456 3.660 0.440 7 0 "[ . 1]" 1
50 1 39 THR HA 1 40 CYS H . . 2.860 2.471 2.199 3.342 0.482 3 0 "[ . 1]" 1
51 1 13 PHE HA 1 14 ASN H . . 3.530 3.369 2.857 3.557 0.027 8 0 "[ . 1]" 1
52 1 40 CYS H 1 40 CYS HB2 . . 2.880 2.424 2.211 2.581 . 0 0 "[ . 1]" 1
53 1 39 THR MG 1 40 CYS H . . 4.930 3.545 2.159 4.282 . 0 0 "[ . 1]" 1
54 1 14 ASN H 1 15 VAL H . . 3.250 2.544 2.271 2.662 . 0 0 "[ . 1]" 1
55 1 13 PHE QB 1 14 ASN H . . 3.080 3.174 2.725 3.889 0.809 7 1 "[ . + 1]" 1
56 1 14 ASN H 1 14 ASN HB2 . . 3.010 2.360 2.221 2.462 . 0 0 "[ . 1]" 1
57 1 14 ASN H 1 14 ASN HB3 . . 3.260 3.533 3.493 3.548 0.288 3 0 "[ . 1]" 1
58 1 2 THR H 1 2 THR HB . . 3.760 2.782 2.416 3.598 . 0 0 "[ . 1]" 1
59 1 1 THR MG 1 2 THR H . . 4.720 3.489 2.455 4.178 . 0 0 "[ . 1]" 1
60 1 24 ALA H 1 24 ALA HA . . 2.960 2.596 2.220 2.900 . 0 0 "[ . 1]" 1
61 1 25 ILE HA 1 27 ALA H . . 3.790 3.198 3.007 3.581 . 0 0 "[ . 1]" 1
62 1 24 ALA H 1 25 ILE H . . 3.330 3.874 2.637 4.635 1.305 2 5 "[ +-*.* * 1]" 1
63 1 21 THR MG 1 24 ALA H . . 4.690 3.428 2.089 5.164 0.474 6 0 "[ . 1]" 1
64 1 11 SER H 1 12 ASN H . . 3.020 2.562 2.410 2.725 . 0 0 "[ . 1]" 1
65 1 12 ASN H 1 12 ASN HD21 . . 4.220 3.390 2.175 4.364 0.144 9 0 "[ . 1]" 1
66 1 11 SER HA 1 12 ASN H . . 3.100 3.543 3.447 3.602 0.502 7 1 "[ . + 1]" 1
67 1 11 SER QB 1 12 ASN H . . 3.310 3.096 2.624 3.584 0.274 4 0 "[ . 1]" 1
68 1 12 ASN H 1 12 ASN HB2 . . 2.940 2.375 2.142 2.563 . 0 0 "[ . 1]" 1
69 1 12 ASN H 1 12 ASN HB3 . . 3.360 3.534 3.441 3.579 0.219 6 0 "[ . 1]" 1
70 1 2 THR HA 1 35 ILE H . . 3.740 3.863 2.977 4.604 0.864 9 2 "[ -. +1]" 1
71 1 34 ILE HA 1 35 ILE H . . 2.570 2.225 2.176 2.311 . 0 0 "[ . 1]" 1
72 1 35 ILE H 1 35 ILE HG12 . . 3.330 2.777 2.073 3.748 0.418 9 0 "[ . 1]" 1
73 1 38 ALA H 1 39 THR H . . 3.140 2.967 2.247 3.743 0.603 3 1 "[ + . 1]" 1
74 1 37 GLY HA2 1 38 ALA H . . 2.970 2.625 2.208 3.399 0.429 9 0 "[ . 1]" 1
75 1 11 SER H 1 11 SER QB . . 2.970 2.358 2.201 2.770 . 0 0 "[ . 1]" 1
76 1 10 ARG H 1 11 SER H . . 3.190 2.581 2.461 2.741 . 0 0 "[ . 1]" 1
77 1 11 SER H 1 11 SER HA . . 2.990 2.790 2.729 2.833 . 0 0 "[ . 1]" 1
78 1 10 ARG HB2 1 11 SER H . . 3.720 3.706 2.932 4.044 0.324 3 0 "[ . 1]" 1
79 1 8 VAL HA 1 11 SER H . . 3.790 3.406 3.172 3.861 0.071 6 0 "[ . 1]" 1
80 1 43 ASP H 1 44 TYR H . . 3.020 2.501 2.185 2.845 . 0 0 "[ . 1]" 1
81 1 42 GLY HA2 1 43 ASP H . . 3.220 3.231 2.708 3.573 0.353 3 0 "[ . 1]" 1
82 1 43 ASP H 1 43 ASP HB2 . . 3.710 2.504 2.246 3.548 . 0 0 "[ . 1]" 1
83 1 43 ASP H 1 43 ASP HB3 . . 3.740 3.440 2.494 3.595 . 0 0 "[ . 1]" 1
84 1 25 ILE H 1 26 CYS H . . 3.030 4.076 3.565 4.493 1.463 6 10 [-****+****] 1
85 1 25 ILE HA 1 26 CYS H . . 3.910 2.321 2.178 2.572 . 0 0 "[ . 1]" 1
86 1 26 CYS H 1 26 CYS QB . . 2.990 2.521 2.187 2.769 . 0 0 "[ . 1]" 1
87 1 14 ASN HB3 1 15 VAL H . . 3.730 3.862 3.366 4.104 0.374 1 0 "[ . 1]" 1
88 1 18 LEU H 1 18 LEU QB . . 3.540 2.054 1.991 2.111 . 0 0 "[ . 1]" 1
89 1 15 VAL HA 1 22 SER H . . 3.400 5.335 4.538 5.675 2.275 3 10 [**+-******] 1
90 1 14 ASN HB2 1 15 VAL H . . 3.540 2.984 2.646 3.247 . 0 0 "[ . 1]" 1
91 1 15 VAL H 1 15 VAL HB . . 2.820 2.617 2.349 3.542 0.722 4 2 "[ +- 1]" 1
92 1 15 VAL HB 1 22 SER H . . 2.960 4.752 3.169 5.433 2.473 2 9 [*+*-.*****] 1
93 1 15 VAL H 1 15 VAL MG1 . . 4.000 3.377 2.046 3.747 . 0 0 "[ . 1]" 1
94 1 20 GLY H 1 20 GLY HA2 . . 2.960 2.821 2.702 2.948 . 0 0 "[ . 1]" 1
95 1 21 THR H 1 22 SER H . . 3.260 2.925 2.077 4.100 0.840 5 1 "[ + 1]" 1
96 1 33 ILE HA 1 34 ILE H . . 2.540 2.512 2.297 2.752 0.212 2 0 "[ . 1]" 1
97 1 34 ILE H 1 34 ILE HB . . 2.550 2.431 2.382 2.516 . 0 0 "[ . 1]" 1
98 1 33 ILE MG 1 34 ILE H . . 4.660 3.705 3.630 3.901 . 0 0 "[ . 1]" 1
99 1 34 ILE H 1 34 ILE HG13 . . 3.930 2.581 2.383 2.731 . 0 0 "[ . 1]" 1
100 1 34 ILE H 1 34 ILE HG12 . . 3.910 3.844 3.556 4.037 0.127 7 0 "[ . 1]" 1
101 1 44 TYR H 1 44 TYR QB . . 3.230 2.395 1.997 3.097 . 0 0 "[ . 1]" 1
102 1 44 TYR H 1 44 TYR QD . . 3.650 3.055 2.333 3.625 . 0 0 "[ . 1]" 1
103 1 44 TYR H 1 45 ALA H . . 3.340 2.392 2.033 3.266 . 0 0 "[ . 1]" 1
104 1 6 SER H 1 9 ALA H . . 3.580 3.954 3.685 4.377 0.797 6 3 "[ .+- *]" 1
105 1 8 VAL H 1 9 ALA H . . 2.690 2.546 2.258 2.689 . 0 0 "[ . 1]" 1
106 1 8 VAL HB 1 9 ALA H . . 3.280 2.796 2.525 3.130 . 0 0 "[ . 1]" 1
107 1 12 ASN HA 1 15 VAL H . . 3.380 4.074 3.569 5.036 1.656 7 5 "[- *** + 1]" 1
108 1 9 ALA H 1 10 ARG H . . 3.100 2.558 2.380 2.714 . 0 0 "[ . 1]" 1
109 1 46 ASN H 1 46 ASN HB2 . . 3.820 3.146 2.530 3.815 . 0 0 "[ . 1]" 1
110 1 46 ASN H 1 46 ASN HB3 . . 3.190 3.269 2.496 3.825 0.635 6 3 "[ .+ - *]" 1
111 1 31 GLY H 1 32 CYS H . . 3.050 2.863 2.147 3.503 0.453 2 0 "[ . 1]" 1
112 1 30 THR H 1 31 GLY H . . 2.790 2.115 1.877 2.683 . 0 0 "[ . 1]" 1
113 1 31 GLY H 1 31 GLY HA2 . . 3.090 2.323 2.248 2.542 . 0 0 "[ . 1]" 1
114 1 36 PRO HA 1 37 GLY H . . 3.910 3.045 2.372 3.540 . 0 0 "[ . 1]" 1
115 1 28 THR H 1 29 TYR H . . 3.350 2.506 2.230 3.773 0.423 2 0 "[ . 1]" 1
116 1 29 TYR H 1 30 THR H . . 3.160 2.770 2.258 3.298 0.138 9 0 "[ . 1]" 1
117 1 29 TYR H 1 29 TYR HD1 . . 4.310 3.842 2.246 4.701 0.391 10 0 "[ . 1]" 1
118 1 29 TYR H 1 29 TYR HB2 . . 3.450 2.338 2.054 3.446 . 0 0 "[ . 1]" 1
119 1 29 TYR H 1 29 TYR HB3 . . 2.840 2.904 2.212 3.501 0.661 5 4 "[ *+- *1]" 1
120 1 7 ILE HA 1 10 ARG H . . 4.260 3.178 2.784 3.696 . 0 0 "[ . 1]" 1
121 1 14 ASN HB2 1 14 ASN HD21 . . 3.280 2.383 2.104 2.472 . 0 0 "[ . 1]" 1
122 1 14 ASN HB3 1 14 ASN HD21 . . 3.300 2.716 2.594 3.224 . 0 0 "[ . 1]" 1
123 1 10 ARG H 1 10 ARG HB2 . . 3.010 2.376 2.170 2.566 . 0 0 "[ . 1]" 1
124 1 27 ALA HA 1 32 CYS H . . 3.680 4.047 2.378 4.940 1.260 9 5 "[** - *+1]" 1
125 1 30 THR HB 1 32 CYS H . . 5.000 4.253 3.433 4.721 . 0 0 "[ . 1]" 1
126 1 43 ASP HA 1 44 TYR H . . 3.380 3.614 3.534 3.654 0.274 4 0 "[ . 1]" 1
127 1 32 CYS H 1 32 CYS QB . . 2.910 2.470 2.149 2.623 . 0 0 "[ . 1]" 1
128 1 30 THR H 1 32 CYS H . . 3.100 3.556 3.085 4.167 1.067 3 4 "[ *+-. *]" 1
129 1 10 ARG HA 1 11 SER H . . 3.380 3.520 3.208 3.612 0.232 8 0 "[ . 1]" 1
130 1 31 GLY HA2 1 32 CYS H . . 3.280 3.454 2.967 3.644 0.364 2 0 "[ . 1]" 1
131 1 39 THR H 1 39 THR HB . . 3.200 2.665 2.469 2.824 . 0 0 "[ . 1]" 1
132 1 17 ARG H 1 17 ARG HB2 . . 3.030 2.464 2.095 3.531 0.501 1 1 "[+ . 1]" 1
133 1 17 ARG H 1 17 ARG QG . . 3.030 2.949 2.271 4.062 1.032 7 3 "[ - + *]" 1
134 1 17 ARG H 1 17 ARG HB3 . . 3.350 3.211 2.332 3.597 0.247 3 0 "[ . 1]" 1
135 1 38 ALA MB 1 39 THR H . . 5.060 3.349 1.939 3.792 . 0 0 "[ . 1]" 1
136 1 8 VAL H 1 8 VAL MG1 . . 4.420 3.691 3.680 3.721 . 0 0 "[ . 1]" 1
137 1 25 ILE HB 1 28 THR H . . 2.940 4.091 3.365 5.049 2.109 10 9 "[** **-***+]" 1
138 1 8 VAL H 1 8 VAL HB . . 2.750 2.324 2.302 2.397 . 0 0 "[ . 1]" 1
139 1 27 ALA MB 1 28 THR H . . 4.210 2.728 2.033 3.527 . 0 0 "[ . 1]" 1
140 1 17 ARG H 1 18 LEU H . . 3.510 2.489 2.239 2.683 . 0 0 "[ . 1]" 1
141 1 17 ARG HA 1 18 LEU H . . 3.300 3.572 3.490 3.644 0.344 7 0 "[ . 1]" 1
142 1 27 ALA HA 1 28 THR H . . 3.370 3.540 3.179 3.617 0.247 10 0 "[ . 1]" 1
143 1 15 VAL HA 1 18 LEU H . . 3.170 3.345 3.034 3.830 0.660 7 1 "[ . + 1]" 1
144 1 17 ARG HB2 1 18 LEU H . . 3.710 3.188 2.622 4.271 0.561 1 1 "[+ . 1]" 1
145 1 30 THR H 1 30 THR HB . . 3.080 3.000 2.512 3.597 0.517 6 1 "[ .+ 1]" 1
146 1 29 TYR HB3 1 30 THR H . . 3.750 3.775 2.766 4.710 0.960 2 3 "[ + * -1]" 1
147 1 30 THR H 1 30 THR MG . . 4.360 2.532 2.249 3.819 . 0 0 "[ . 1]" 1
148 1 29 TYR HB2 1 30 THR H . . 5.000 3.925 2.743 4.473 . 0 0 "[ . 1]" 1
149 1 12 ASN HB3 1 12 ASN HD21 . . 3.360 2.867 2.289 3.568 0.208 4 0 "[ . 1]" 1
150 1 24 ALA HA 1 25 ILE H . . 4.070 3.232 2.249 3.641 . 0 0 "[ . 1]" 1
151 1 13 PHE QE 1 26 CYS QB . . 3.750 3.634 2.366 4.951 1.201 5 2 "[ - + 1]" 1
152 1 13 PHE QE 1 27 ALA MB . . 4.220 2.673 2.224 4.185 . 0 0 "[ . 1]" 1
153 1 2 THR MG 1 13 PHE QE . . 4.540 3.265 2.527 4.006 . 0 0 "[ . 1]" 1
154 1 25 ILE H 1 25 ILE HB . . 3.090 2.493 2.358 2.585 . 0 0 "[ . 1]" 1
155 1 24 ALA MB 1 25 ILE H . . 4.590 2.165 1.938 2.988 . 0 0 "[ . 1]" 1
156 1 17 ARG HE 1 17 ARG QG . . 3.160 2.777 2.206 3.281 0.121 1 0 "[ . 1]" 1
157 1 17 ARG HB2 1 17 ARG HE . . 3.910 3.893 2.375 4.726 0.816 9 4 "[ *.* +-]" 1
158 1 2 THR MG 1 13 PHE HZ . . 4.320 3.632 2.331 4.918 0.598 1 1 "[+ . 1]" 1
159 1 13 PHE QD 1 30 THR MG . . 5.050 2.655 2.039 4.402 . 0 0 "[ . 1]" 1
160 1 13 PHE QD 1 30 THR HB . . 3.670 3.751 2.835 4.688 1.018 10 3 "[ .-* +]" 1
161 1 13 PHE QD 1 27 ALA HA . . 3.540 3.199 2.689 4.087 0.547 3 1 "[ + . 1]" 1
162 1 13 PHE HA 1 13 PHE QD . . 3.420 2.691 2.256 3.128 . 0 0 "[ . 1]" 1
163 1 13 PHE QB 1 13 PHE QD . . 2.960 2.146 2.137 2.174 . 0 0 "[ . 1]" 1
164 1 13 PHE QD 1 32 CYS QB . . 3.980 3.975 2.271 4.909 0.929 7 3 "[* . + -1]" 1
165 1 13 PHE QD 1 26 CYS QB . . 3.270 2.988 2.307 4.219 0.949 5 2 "[ - + 1]" 1
166 1 13 PHE QD 1 27 ALA MB . . 5.260 4.119 3.380 5.146 . 0 0 "[ . 1]" 1
167 1 10 ARG HD2 1 10 ARG QH2 . . 4.250 4.098 3.962 4.274 0.024 9 0 "[ . 1]" 1
168 1 14 ASN HB2 1 14 ASN HD22 . . 3.760 3.565 3.445 3.609 . 0 0 "[ . 1]" 1
169 1 14 ASN HB3 1 14 ASN HD22 . . 3.750 3.710 3.649 3.941 0.191 9 0 "[ . 1]" 1
170 1 5 PRO QG 1 6 SER H . . 3.130 2.934 2.323 3.193 0.063 4 0 "[ . 1]" 1
171 1 6 SER H 1 9 ALA MB . . 3.910 3.027 2.498 4.121 0.211 6 0 "[ . 1]" 1
172 1 46 ASN HB2 1 46 ASN HD21 . . 3.620 2.710 2.142 3.557 . 0 0 "[ . 1]" 1
173 1 46 ASN HB3 1 46 ASN HD21 . . 3.110 2.801 2.264 3.501 0.391 4 0 "[ . 1]" 1
174 1 32 CYS HA 1 33 ILE H . . 3.380 2.592 2.430 2.755 . 0 0 "[ . 1]" 1
175 1 21 THR H 1 21 THR HA . . 3.050 2.573 2.223 2.938 . 0 0 "[ . 1]" 1
176 1 21 THR H 1 21 THR HB . . 3.860 3.322 2.360 3.791 . 0 0 "[ . 1]" 1
177 1 33 ILE MG 1 44 TYR HE2 . . 4.360 2.735 2.227 3.957 . 0 0 "[ . 1]" 1
178 1 4 CYS HA 1 44 TYR HE2 . . 4.360 3.923 2.815 5.187 0.827 7 1 "[ . + 1]" 1
179 1 32 CYS HA 1 44 TYR HE2 . . 4.270 3.666 2.461 4.959 0.689 2 2 "[ + . -]" 1
180 1 33 ILE MD 1 44 TYR HE2 . . 5.110 2.824 2.141 4.387 . 0 0 "[ . 1]" 1
181 1 33 ILE MG 1 44 TYR QD . . 5.160 4.189 3.476 5.123 . 0 0 "[ . 1]" 1
182 1 4 CYS HA 1 44 TYR QD . . 3.670 3.216 2.859 4.184 0.514 8 1 "[ . + 1]" 1
183 1 44 TYR QB 1 44 TYR QD . . 2.840 2.208 2.153 2.276 . 0 0 "[ . 1]" 1
184 1 33 ILE MD 1 44 TYR QD . . 4.760 2.920 2.142 3.876 . 0 0 "[ . 1]" 1
185 1 32 CYS HA 1 44 TYR QD . . 3.750 4.420 3.281 5.517 1.767 8 6 "[ ***. -+ *]" 1
186 1 12 ASN HB2 1 12 ASN HD22 . . 3.650 3.844 3.483 4.140 0.490 5 0 "[ . 1]" 1
187 1 12 ASN HB3 1 12 ASN HD22 . . 4.140 3.804 3.518 4.158 0.018 4 0 "[ . 1]" 1
188 1 10 ARG HD2 1 10 ARG QH1 . . 3.790 2.517 2.105 3.441 . 0 0 "[ . 1]" 1
189 1 3 CYS HA 1 10 ARG QH1 . . 4.570 3.521 2.313 4.150 . 0 0 "[ . 1]" 1
190 1 2 THR HB 1 10 ARG QH1 . . 5.220 3.412 2.067 6.837 1.617 4 2 "[ - +. 1]" 1
191 1 4 CYS HA 1 32 CYS HA . . 2.690 2.774 2.186 3.586 0.896 6 2 "[ .+- 1]" 1
192 1 4 CYS HA 1 5 PRO QD . . 3.000 1.987 1.891 2.072 . 0 0 "[ . 1]" 1
193 1 4 CYS HA 1 4 CYS HB2 . . 2.840 2.905 2.706 3.023 0.183 8 0 "[ . 1]" 1
194 1 4 CYS HA 1 32 CYS QB . . 3.680 3.406 2.400 4.130 0.450 2 0 "[ . 1]" 1
195 1 2 THR HA 1 34 ILE HA . . 3.030 4.014 2.273 4.724 1.694 9 8 "[** ***-*+1]" 1
196 1 5 PRO QD 1 32 CYS HA . . 3.430 2.828 2.272 3.753 0.323 1 0 "[ . 1]" 1
197 1 35 ILE HA 1 36 PRO HD2 . . 2.460 2.698 2.488 2.901 0.441 9 0 "[ . 1]" 1
198 1 35 ILE HA 1 35 ILE HB . . 3.020 2.368 2.242 2.538 . 0 0 "[ . 1]" 1
199 1 3 CYS HA 1 35 ILE MG . . 4.410 5.006 4.469 6.322 1.912 8 5 "[ **. -+ *]" 1
200 1 40 CYS HA 1 41 PRO HD3 . . 2.720 2.000 1.946 2.034 . 0 0 "[ . 1]" 1
201 1 40 CYS HA 1 41 PRO HD2 . . 2.810 2.629 2.309 2.754 . 0 0 "[ . 1]" 1
202 1 40 CYS HA 1 40 CYS HB3 . . 3.010 2.522 2.409 2.685 . 0 0 "[ . 1]" 1
203 1 35 ILE MD 1 40 CYS HA . . 4.220 3.397 2.143 4.724 0.504 9 1 "[ . +1]" 1
204 1 33 ILE HA 1 33 ILE HB . . 2.630 2.453 2.424 2.499 . 0 0 "[ . 1]" 1
205 1 27 ALA HA 1 30 THR HB . . 3.560 4.255 3.796 4.556 0.996 7 7 "[ *-*.*+* *]" 1
206 1 34 ILE HA 1 34 ILE HG13 . . 3.760 2.881 2.692 3.125 . 0 0 "[ . 1]" 1
207 1 2 THR MG 1 34 ILE HA . . 5.870 3.446 2.543 4.717 . 0 0 "[ . 1]" 1
208 1 43 ASP HA 1 43 ASP HB2 . . 3.070 2.991 2.502 3.056 . 0 0 "[ . 1]" 1
209 1 43 ASP HA 1 43 ASP HB3 . . 3.070 2.572 2.445 2.672 . 0 0 "[ . 1]" 1
210 1 46 ASN HA 1 46 ASN HB2 . . 2.890 2.744 2.488 3.065 0.175 6 0 "[ . 1]" 1
211 1 9 ALA MB 1 10 ARG HA . . 5.290 3.881 3.831 3.964 . 0 0 "[ . 1]" 1
212 1 30 THR HA 1 30 THR MG . . 3.510 2.955 2.309 3.231 . 0 0 "[ . 1]" 1
213 1 41 PRO HA 1 41 PRO HD2 . . 4.140 3.977 3.976 3.977 . 0 0 "[ . 1]" 1
214 1 41 PRO HA 1 41 PRO HB2 . . 2.710 2.733 2.732 2.733 0.023 5 0 "[ . 1]" 1
215 1 41 PRO HA 1 41 PRO HB3 . . 2.630 2.303 2.302 2.303 . 0 0 "[ . 1]" 1
216 1 10 ARG HA 1 10 ARG HB2 . . 2.870 2.723 2.473 3.058 0.188 1 0 "[ . 1]" 1
217 1 10 ARG HA 1 13 PHE QB . . 3.230 2.534 2.154 2.905 . 0 0 "[ . 1]" 1
218 1 3 CYS QB 1 44 TYR QB . . 2.940 2.417 1.981 2.714 . 0 0 "[ . 1]" 1
219 1 38 ALA MB 1 39 THR HA . . 5.900 4.226 4.075 4.335 . 0 0 "[ . 1]" 1
220 1 27 ALA HA 1 32 CYS QB . . 3.450 2.874 2.086 3.671 0.221 9 0 "[ . 1]" 1
221 1 17 ARG HA 1 17 ARG QG . . 3.170 2.628 2.252 3.321 0.151 1 0 "[ . 1]" 1
222 1 17 ARG HA 1 17 ARG QD . . 3.680 2.956 2.054 4.545 0.865 1 1 "[+ . 1]" 1
223 1 5 PRO QD 1 9 ALA MB . . 4.250 2.764 2.254 3.851 . 0 0 "[ . 1]" 1
224 1 21 THR HA 1 21 THR HB . . 3.080 2.946 2.488 3.065 . 0 0 "[ . 1]" 1
225 1 13 PHE HA 1 30 THR MG . . 4.330 3.586 2.809 4.233 . 0 0 "[ . 1]" 1
226 1 12 ASN HB2 1 13 PHE HA . . 4.160 4.345 4.079 4.753 0.593 4 1 "[ +. 1]" 1
227 1 13 PHE HA 1 26 CYS QB . . 3.660 3.140 2.053 4.348 0.688 5 1 "[ + 1]" 1
228 1 40 CYS HB3 1 41 PRO HD3 . . 3.460 3.381 3.026 4.228 0.768 6 2 "[ .+ - 1]" 1
229 1 25 ILE HA 1 25 ILE HG12 . . 4.130 2.978 2.578 3.336 . 0 0 "[ . 1]" 1
230 1 15 VAL HA 1 18 LEU QB . . 2.710 2.776 2.351 4.219 1.509 7 1 "[ . + 1]" 1
231 1 40 CYS HB3 1 41 PRO HD2 . . 3.170 2.413 2.046 3.471 0.301 6 0 "[ . 1]" 1
232 1 40 CYS HB2 1 41 PRO HD2 . . 4.120 3.903 3.524 4.657 0.537 6 1 "[ .+ 1]" 1
233 1 41 PRO HB2 1 41 PRO HD2 . . 3.610 3.854 3.853 3.855 0.245 8 0 "[ . 1]" 1
234 1 23 GLU HA 1 23 GLU HB2 . . 2.820 3.038 3.024 3.051 0.231 9 0 "[ . 1]" 1
235 1 23 GLU HA 1 23 GLU HB3 . . 2.680 2.583 2.454 2.652 . 0 0 "[ . 1]" 1
236 1 12 ASN HB2 1 30 THR MG . . 4.520 3.524 2.229 4.310 . 0 0 "[ . 1]" 1
237 1 5 PRO QG 1 9 ALA MB . . 4.060 3.591 2.899 4.899 0.839 6 1 "[ .+ 1]" 1
238 1 27 ALA MB 1 32 CYS QB . . 5.170 3.366 2.648 4.119 . 0 0 "[ . 1]" 1
239 1 12 ASN HB3 1 30 THR MG . . 4.730 4.158 2.519 5.115 0.385 1 0 "[ . 1]" 1
240 1 3 CYS QB 1 33 ILE HG12 . . 3.790 3.595 2.552 4.624 0.834 8 2 "[ - . + 1]" 1
241 1 3 CYS QB 1 33 ILE MD . . 5.180 3.290 2.365 4.592 . 0 0 "[ . 1]" 1
242 1 3 CYS QB 1 33 ILE HG13 . . 4.170 3.733 2.535 4.699 0.529 8 1 "[ . + 1]" 1
243 1 2 THR MG 1 32 CYS QB . . 4.980 2.370 1.985 3.512 . 0 0 "[ . 1]" 1
244 1 3 CYS QB 1 35 ILE MG . . 5.410 3.032 2.323 3.956 . 0 0 "[ . 1]" 1
245 1 25 ILE MG 1 27 ALA MB . . 5.660 2.338 1.998 2.873 . 0 0 "[ . 1]" 1
246 1 27 ALA MB 1 34 ILE HG12 . . 4.560 2.890 2.180 4.193 . 0 0 "[ . 1]" 1
247 1 25 ILE MG 1 34 ILE HG12 . . 4.690 4.179 3.115 5.391 0.701 3 1 "[ + . 1]" 1
248 1 35 ILE HG12 1 35 ILE MG . . 3.330 2.557 2.205 3.239 . 0 0 "[ . 1]" 1
249 1 10 ARG QH1 1 46 ASN H . . 6.000 6.474 4.219 7.611 1.611 3 6 "[* + -* **1]" 1
250 1 6 SER H 1 7 ILE H . . 5.000 4.197 2.156 4.571 . 0 0 "[ . 1]" 1
251 1 33 ILE H 1 44 TYR HE2 . . 5.000 4.056 2.966 5.180 0.180 10 0 "[ . 1]" 1
252 1 32 CYS H 1 33 ILE H . . 5.000 4.582 4.457 4.664 . 0 0 "[ . 1]" 1
253 1 13 PHE HZ 1 27 ALA H . . 5.000 5.213 4.337 6.732 1.732 3 2 "[ + . -]" 1
254 1 11 SER H 1 13 PHE H . . 5.000 3.939 3.724 4.149 . 0 0 "[ . 1]" 1
255 1 4 CYS H 1 10 ARG HE . . 5.000 4.233 2.762 6.218 1.218 6 1 "[ .+ 1]" 1
256 1 14 ASN H 1 14 ASN HD21 . . 5.000 3.993 2.994 4.400 . 0 0 "[ . 1]" 1
257 1 12 ASN H 1 12 ASN HD22 . . 5.000 4.141 3.161 4.628 . 0 0 "[ . 1]" 1
258 1 14 ASN H 1 14 ASN HD22 . . 5.000 4.415 3.988 4.993 . 0 0 "[ . 1]" 1
259 1 12 ASN H 1 14 ASN H . . 5.000 4.037 3.756 4.577 . 0 0 "[ . 1]" 1
260 1 30 THR HB 1 31 GLY H . . 5.000 4.259 3.918 4.506 . 0 0 "[ . 1]" 1
261 1 4 CYS HA 1 6 SER H . . 5.000 4.180 3.841 4.753 . 0 0 "[ . 1]" 1
262 1 19 PRO HD3 1 20 GLY H . . 5.000 4.433 3.698 5.265 0.265 5 0 "[ . 1]" 1
263 1 8 VAL HA 1 9 ALA H . . 5.000 3.582 3.502 3.628 . 0 0 "[ . 1]" 1
264 1 3 CYS QB 1 44 TYR QD . . 5.000 2.840 2.307 3.933 . 0 0 "[ . 1]" 1
265 1 43 ASP HB2 1 44 TYR QD . . 5.000 3.343 2.251 3.988 . 0 0 "[ . 1]" 1
266 1 13 PHE QD 1 16 CYS HB2 . . 5.000 3.493 2.868 4.005 . 0 0 "[ . 1]" 1
267 1 41 PRO HB3 1 42 GLY H . . 5.000 3.773 3.194 4.654 . 0 0 "[ . 1]" 1
268 1 43 ASP H 1 44 TYR QB . . 5.000 4.496 4.274 4.751 . 0 0 "[ . 1]" 1
269 1 13 PHE HZ 1 27 ALA MB . . 6.000 3.908 3.053 5.739 . 0 0 "[ . 1]" 1
270 1 35 ILE HA 1 40 CYS HA . . 5.000 5.324 3.496 6.780 1.780 3 4 "[ + .- * *]" 1
271 1 34 ILE HA 1 35 ILE HA . . 5.000 4.379 4.341 4.410 . 0 0 "[ . 1]" 1
272 1 13 PHE HA 1 15 VAL HB . . 5.000 4.714 3.980 6.128 1.128 4 2 "[ +- 1]" 1
273 1 3 CYS QB 1 41 PRO HD2 . . 5.000 3.316 2.622 3.824 . 0 0 "[ . 1]" 1
274 1 30 THR HB 1 32 CYS QB . . 5.000 4.654 3.876 5.180 0.180 10 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 6
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 2.007
_Distance_constraint_stats_list.Viol_max 0.035
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0223
_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 3 CYS 0.053 0.033 3 0 "[ . 1]"
1 4 CYS 0.095 0.035 4 0 "[ . 1]"
1 16 CYS 0.053 0.028 3 0 "[ . 1]"
1 26 CYS 0.053 0.028 3 0 "[ . 1]"
1 32 CYS 0.095 0.035 4 0 "[ . 1]"
1 40 CYS 0.053 0.033 3 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 3 CYS SG 1 40 CYS SG . . 2.100 1.980 1.938 2.021 . 0 0 "[ . 1]" 2
2 1 3 CYS SG 1 40 CYS CB . . 3.100 3.070 2.996 3.133 0.033 3 0 "[ . 1]" 2
3 1 4 CYS SG 1 32 CYS SG . . 2.100 1.982 1.924 2.039 . 0 0 "[ . 1]" 2
4 1 4 CYS SG 1 32 CYS CB . . 3.100 3.094 3.060 3.135 0.035 4 0 "[ . 1]" 2
5 1 16 CYS SG 1 26 CYS SG . . 2.100 2.008 1.935 2.063 . 0 0 "[ . 1]" 2
6 1 16 CYS SG 1 26 CYS CB . . 3.100 3.052 3.000 3.128 0.028 3 0 "[ . 1]" 2
stop_
save_
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