NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
460195 |
1x61   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1x61
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 210
_TA_constraint_stats_list.Viol_count 83
_TA_constraint_stats_list.Viol_total 1591.60
_TA_constraint_stats_list.Viol_max 5.51
_TA_constraint_stats_list.Viol_rms 0.22
_TA_constraint_stats_list.Viol_average_all_restraints 0.02
_TA_constraint_stats_list.Viol_average_violations_only 0.96
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 CHI1 1 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG -90.00 -150.00 -97.60 53.65 -63.55 0.33 17 0 "[ . 1 . 2]"
2 CHI1 1 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG 30.00 -30.00 -97.60 53.65 -63.55 . . 0 "[ . 1 . 2]"
3 CHI1 1 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG 150.00 90.00 -97.60 53.65 -63.55 . . 0 "[ . 1 . 2]"
4 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG -90.00 -150.00 -109.27 -85.20 -149.98 0.02 8 0 "[ . 1 . 2]"
5 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG 30.00 -30.00 -109.27 -85.20 -149.98 . . 0 "[ . 1 . 2]"
6 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG 150.00 90.00 -109.27 -85.20 -149.98 . . 0 "[ . 1 . 2]"
7 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG -90.00 -150.00 -145.34 58.91 -54.90 . . 0 "[ . 1 . 2]"
8 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG 30.00 -30.00 -145.34 58.91 -54.90 . . 0 "[ . 1 . 2]"
9 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG 150.00 90.00 -145.34 58.91 -54.90 . . 0 "[ . 1 . 2]"
10 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG -90.00 -150.00 32.77 59.86 56.86 0.05 17 0 "[ . 1 . 2]"
11 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG 30.00 -30.00 32.77 59.86 56.86 . . 0 "[ . 1 . 2]"
12 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG 150.00 90.00 32.77 59.86 56.86 . . 0 "[ . 1 . 2]"
13 CHI1 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG -90.00 -150.00 178.37 179.06 178.75 . . 0 "[ . 1 . 2]"
14 CHI1 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG 30.00 -30.00 178.37 179.06 178.75 . . 0 "[ . 1 . 2]"
15 CHI1 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG 150.00 90.00 178.37 179.06 178.75 . . 0 "[ . 1 . 2]"
16 CHI1 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG -90.00 -150.00 56.56 54.54 52.98 . . 0 "[ . 1 . 2]"
17 CHI1 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG 30.00 -30.00 56.56 54.54 52.98 . . 0 "[ . 1 . 2]"
18 CHI1 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG 150.00 90.00 56.56 54.54 52.98 . . 0 "[ . 1 . 2]"
19 CHI1 1 13 GLU N 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG -90.00 -150.00 -64.10 -78.87 -79.30 . . 0 "[ . 1 . 2]"
20 CHI1 1 13 GLU N 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 30.00 -30.00 -64.10 -78.87 -79.30 . . 0 "[ . 1 . 2]"
21 CHI1 1 13 GLU N 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 150.00 90.00 -64.10 -78.87 -79.30 . . 0 "[ . 1 . 2]"
22 CHI2 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 1 13 GLU CD -90.00 -150.00 -137.04 81.42 -88.05 0.30 7 0 "[ . 1 . 2]"
23 CHI2 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 1 13 GLU CD 30.00 -30.00 -137.04 81.42 -88.05 . . 0 "[ . 1 . 2]"
24 CHI2 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 1 13 GLU CD 150.00 90.00 -137.04 81.42 -88.05 . . 0 "[ . 1 . 2]"
25 CHI1 1 14 ASP N 1 14 ASP CA 1 14 ASP CB 1 14 ASP CG -90.00 -150.00 -54.51 -57.33 -60.50 . . 0 "[ . 1 . 2]"
26 CHI1 1 14 ASP N 1 14 ASP CA 1 14 ASP CB 1 14 ASP CG 30.00 -30.00 -54.51 -57.33 -60.50 . . 0 "[ . 1 . 2]"
27 CHI1 1 14 ASP N 1 14 ASP CA 1 14 ASP CB 1 14 ASP CG 150.00 90.00 -54.51 -57.33 -60.50 . . 0 "[ . 1 . 2]"
28 CHI1 1 15 VAL N 1 15 VAL CA 1 15 VAL CB 1 15 VAL CG1 -90.00 -150.00 178.91 175.99 -177.89 . . 0 "[ . 1 . 2]"
29 CHI1 1 15 VAL N 1 15 VAL CA 1 15 VAL CB 1 15 VAL CG1 30.00 -30.00 178.91 175.99 -177.89 . . 0 "[ . 1 . 2]"
30 CHI1 1 15 VAL N 1 15 VAL CA 1 15 VAL CB 1 15 VAL CG1 150.00 90.00 178.91 175.99 -177.89 . . 0 "[ . 1 . 2]"
31 CHI1 1 16 VAL N 1 16 VAL CA 1 16 VAL CB 1 16 VAL CG1 -90.00 -150.00 106.24 178.09 59.68 . . 0 "[ . 1 . 2]"
32 CHI1 1 16 VAL N 1 16 VAL CA 1 16 VAL CB 1 16 VAL CG1 30.00 -30.00 106.24 178.09 59.68 0.28 19 0 "[ . 1 . 2]"
33 CHI1 1 16 VAL N 1 16 VAL CA 1 16 VAL CB 1 16 VAL CG1 150.00 90.00 106.24 178.09 59.68 . . 0 "[ . 1 . 2]"
34 CHI1 1 18 ASP N 1 18 ASP CA 1 18 ASP CB 1 18 ASP CG -90.00 -150.00 -138.99 76.30 -46.24 0.88 19 0 "[ . 1 . 2]"
35 CHI1 1 18 ASP N 1 18 ASP CA 1 18 ASP CB 1 18 ASP CG 30.00 -30.00 -138.99 76.30 -46.24 . . 0 "[ . 1 . 2]"
36 CHI1 1 18 ASP N 1 18 ASP CA 1 18 ASP CB 1 18 ASP CG 150.00 90.00 -138.99 76.30 -46.24 . . 0 "[ . 1 . 2]"
37 CHI1 1 22 VAL N 1 22 VAL CA 1 22 VAL CB 1 22 VAL CG1 -90.00 -150.00 179.08 178.09 177.68 . . 0 "[ . 1 . 2]"
38 CHI1 1 22 VAL N 1 22 VAL CA 1 22 VAL CB 1 22 VAL CG1 30.00 -30.00 179.08 178.09 177.68 . . 0 "[ . 1 . 2]"
39 CHI1 1 22 VAL N 1 22 VAL CA 1 22 VAL CB 1 22 VAL CG1 150.00 90.00 179.08 178.09 177.68 . . 0 "[ . 1 . 2]"
40 CHI1 1 23 VAL N 1 23 VAL CA 1 23 VAL CB 1 23 VAL CG1 -90.00 -150.00 -169.51 172.98 -48.80 . . 0 "[ . 1 . 2]"
41 CHI1 1 23 VAL N 1 23 VAL CA 1 23 VAL CB 1 23 VAL CG1 30.00 -30.00 -169.51 172.98 -48.80 . . 0 "[ . 1 . 2]"
42 CHI1 1 23 VAL N 1 23 VAL CA 1 23 VAL CB 1 23 VAL CG1 150.00 90.00 -169.51 172.98 -48.80 . . 0 "[ . 1 . 2]"
43 CHI1 1 25 LEU N 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG -90.00 -150.00 -51.27 -55.48 -47.84 . . 0 "[ . 1 . 2]"
44 CHI1 1 25 LEU N 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG 30.00 -30.00 -51.27 -55.48 -47.84 . . 0 "[ . 1 . 2]"
45 CHI1 1 25 LEU N 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG 150.00 90.00 -51.27 -55.48 -47.84 . . 0 "[ . 1 . 2]"
46 CHI2 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG 1 25 LEU CD1 -90.00 -150.00 156.54 158.41 156.36 . . 0 "[ . 1 . 2]"
47 CHI2 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG 1 25 LEU CD1 30.00 -30.00 156.54 158.41 156.36 . . 0 "[ . 1 . 2]"
48 CHI2 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG 1 25 LEU CD1 150.00 90.00 156.54 158.41 156.36 0.56 6 0 "[ . 1 . 2]"
49 CHI1 1 26 ASP N 1 26 ASP CA 1 26 ASP CB 1 26 ASP CG -90.00 -150.00 -90.94 -90.36 -90.55 3.18 10 0 "[ . 1 . 2]"
50 CHI1 1 26 ASP N 1 26 ASP CA 1 26 ASP CB 1 26 ASP CG 30.00 -30.00 -90.94 -90.36 -90.55 . . 0 "[ . 1 . 2]"
51 CHI1 1 26 ASP N 1 26 ASP CA 1 26 ASP CB 1 26 ASP CG 150.00 90.00 -90.94 -90.36 -90.55 . . 0 "[ . 1 . 2]"
52 CHI1 1 27 ARG N 1 27 ARG CA 1 27 ARG CB 1 27 ARG CG -90.00 -150.00 -86.46 -88.26 -88.55 . . 0 "[ . 1 . 2]"
53 CHI1 1 27 ARG N 1 27 ARG CA 1 27 ARG CB 1 27 ARG CG 30.00 -30.00 -86.46 -88.26 -88.55 . . 0 "[ . 1 . 2]"
54 CHI1 1 27 ARG N 1 27 ARG CA 1 27 ARG CB 1 27 ARG CG 150.00 90.00 -86.46 -88.26 -88.55 . . 0 "[ . 1 . 2]"
55 CHI2 1 27 ARG CA 1 27 ARG CB 1 27 ARG CG 1 27 ARG CD -90.00 -150.00 -90.74 -92.16 -88.11 2.16 10 0 "[ . 1 . 2]"
56 CHI2 1 27 ARG CA 1 27 ARG CB 1 27 ARG CG 1 27 ARG CD 30.00 -30.00 -90.74 -92.16 -88.11 . . 0 "[ . 1 . 2]"
57 CHI2 1 27 ARG CA 1 27 ARG CB 1 27 ARG CG 1 27 ARG CD 150.00 90.00 -90.74 -92.16 -88.11 . . 0 "[ . 1 . 2]"
58 CHI3 1 27 ARG CB 1 27 ARG CG 1 27 ARG CD 1 27 ARG NE -90.00 -150.00 -168.04 -156.40 -158.64 . . 0 "[ . 1 . 2]"
59 CHI3 1 27 ARG CB 1 27 ARG CG 1 27 ARG CD 1 27 ARG NE 30.00 -30.00 -168.04 -156.40 -158.64 . . 0 "[ . 1 . 2]"
60 CHI3 1 27 ARG CB 1 27 ARG CG 1 27 ARG CD 1 27 ARG NE 150.00 90.00 -168.04 -156.40 -158.64 . . 0 "[ . 1 . 2]"
61 CHI1 1 28 VAL N 1 28 VAL CA 1 28 VAL CB 1 28 VAL CG1 -90.00 -150.00 178.00 178.08 177.86 . . 0 "[ . 1 . 2]"
62 CHI1 1 28 VAL N 1 28 VAL CA 1 28 VAL CB 1 28 VAL CG1 30.00 -30.00 178.00 178.08 177.86 . . 0 "[ . 1 . 2]"
63 CHI1 1 28 VAL N 1 28 VAL CA 1 28 VAL CB 1 28 VAL CG1 150.00 90.00 178.00 178.08 177.86 . . 0 "[ . 1 . 2]"
64 CHI1 1 29 PHE N 1 29 PHE CA 1 29 PHE CB 1 29 PHE CG -90.00 -150.00 -49.98 -50.34 -50.97 . . 0 "[ . 1 . 2]"
65 CHI1 1 29 PHE N 1 29 PHE CA 1 29 PHE CB 1 29 PHE CG 30.00 -30.00 -49.98 -50.34 -50.97 . . 0 "[ . 1 . 2]"
66 CHI1 1 29 PHE N 1 29 PHE CA 1 29 PHE CB 1 29 PHE CG 150.00 90.00 -49.98 -50.34 -50.97 . . 0 "[ . 1 . 2]"
67 CHI1 1 30 HIS N 1 30 HIS CA 1 30 HIS CB 1 30 HIS CG -90.00 -150.00 -75.87 -85.26 -68.13 . . 0 "[ . 1 . 2]"
68 CHI1 1 30 HIS N 1 30 HIS CA 1 30 HIS CB 1 30 HIS CG 30.00 -30.00 -75.87 -85.26 -68.13 . . 0 "[ . 1 . 2]"
69 CHI1 1 30 HIS N 1 30 HIS CA 1 30 HIS CB 1 30 HIS CG 150.00 90.00 -75.87 -85.26 -68.13 . . 0 "[ . 1 . 2]"
70 CHI1 1 31 VAL N 1 31 VAL CA 1 31 VAL CB 1 31 VAL CG1 -90.00 -150.00 -63.40 -72.87 -56.68 . . 0 "[ . 1 . 2]"
71 CHI1 1 31 VAL N 1 31 VAL CA 1 31 VAL CB 1 31 VAL CG1 30.00 -30.00 -63.40 -72.87 -56.68 . . 0 "[ . 1 . 2]"
72 CHI1 1 31 VAL N 1 31 VAL CA 1 31 VAL CB 1 31 VAL CG1 150.00 90.00 -63.40 -72.87 -56.68 . . 0 "[ . 1 . 2]"
73 CHI1 1 33 CYS N 1 33 CYS CA 1 33 CYS CB 1 33 CYS SG -90.00 -150.00 -71.56 -72.79 -73.04 . . 0 "[ . 1 . 2]"
74 CHI1 1 33 CYS N 1 33 CYS CA 1 33 CYS CB 1 33 CYS SG 30.00 -30.00 -71.56 -72.79 -73.04 . . 0 "[ . 1 . 2]"
75 CHI1 1 33 CYS N 1 33 CYS CA 1 33 CYS CB 1 33 CYS SG 150.00 90.00 -71.56 -72.79 -73.04 . . 0 "[ . 1 . 2]"
76 CHI1 1 34 PHE N 1 34 PHE CA 1 34 PHE CB 1 34 PHE CG -90.00 -150.00 -163.27 -164.71 -165.55 . . 0 "[ . 1 . 2]"
77 CHI1 1 34 PHE N 1 34 PHE CA 1 34 PHE CB 1 34 PHE CG 30.00 -30.00 -163.27 -164.71 -165.55 . . 0 "[ . 1 . 2]"
78 CHI1 1 34 PHE N 1 34 PHE CA 1 34 PHE CB 1 34 PHE CG 150.00 90.00 -163.27 -164.71 -165.55 . . 0 "[ . 1 . 2]"
79 CHI1 1 35 VAL N 1 35 VAL CA 1 35 VAL CB 1 35 VAL CG1 -90.00 -150.00 -54.08 -60.53 -49.36 . . 0 "[ . 1 . 2]"
80 CHI1 1 35 VAL N 1 35 VAL CA 1 35 VAL CB 1 35 VAL CG1 30.00 -30.00 -54.08 -60.53 -49.36 . . 0 "[ . 1 . 2]"
81 CHI1 1 35 VAL N 1 35 VAL CA 1 35 VAL CB 1 35 VAL CG1 150.00 90.00 -54.08 -60.53 -49.36 . . 0 "[ . 1 . 2]"
82 CHI1 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG -90.00 -150.00 -167.86 -167.01 -167.65 . . 0 "[ . 1 . 2]"
83 CHI1 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG 30.00 -30.00 -167.86 -167.01 -167.65 . . 0 "[ . 1 . 2]"
84 CHI1 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG 150.00 90.00 -167.86 -167.01 -167.65 . . 0 "[ . 1 . 2]"
85 CHI1 1 37 SER N 1 37 SER CA 1 37 SER CB 1 37 SER OG -90.00 -150.00 173.23 160.56 -80.27 . . 0 "[ . 1 . 2]"
86 CHI1 1 37 SER N 1 37 SER CA 1 37 SER CB 1 37 SER OG 30.00 -30.00 173.23 160.56 -80.27 . . 0 "[ . 1 . 2]"
87 CHI1 1 37 SER N 1 37 SER CA 1 37 SER CB 1 37 SER OG 150.00 90.00 173.23 160.56 -80.27 . . 0 "[ . 1 . 2]"
88 CHI1 1 38 THR N 1 38 THR CA 1 38 THR CB 1 38 THR OG1 -90.00 -150.00 -62.90 -64.35 -68.24 . . 0 "[ . 1 . 2]"
89 CHI1 1 38 THR N 1 38 THR CA 1 38 THR CB 1 38 THR OG1 30.00 -30.00 -62.90 -64.35 -68.24 . . 0 "[ . 1 . 2]"
90 CHI1 1 38 THR N 1 38 THR CA 1 38 THR CB 1 38 THR OG1 150.00 90.00 -62.90 -64.35 -68.24 . . 0 "[ . 1 . 2]"
91 CHI1 1 39 CYS N 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG -90.00 -150.00 76.65 72.69 67.21 . . 0 "[ . 1 . 2]"
92 CHI1 1 39 CYS N 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG 30.00 -30.00 76.65 72.69 67.21 . . 0 "[ . 1 . 2]"
93 CHI1 1 39 CYS N 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG 150.00 90.00 76.65 72.69 67.21 . . 0 "[ . 1 . 2]"
94 CHI1 1 40 ARG N 1 40 ARG CA 1 40 ARG CB 1 40 ARG CG -90.00 -150.00 -71.07 -84.74 -46.42 . . 0 "[ . 1 . 2]"
95 CHI1 1 40 ARG N 1 40 ARG CA 1 40 ARG CB 1 40 ARG CG 30.00 -30.00 -71.07 -84.74 -46.42 . . 0 "[ . 1 . 2]"
96 CHI1 1 40 ARG N 1 40 ARG CA 1 40 ARG CB 1 40 ARG CG 150.00 90.00 -71.07 -84.74 -46.42 . . 0 "[ . 1 . 2]"
97 CHI2 1 40 ARG CA 1 40 ARG CB 1 40 ARG CG 1 40 ARG CD -90.00 -150.00 55.10 -86.51 79.62 . . 0 "[ . 1 . 2]"
98 CHI2 1 40 ARG CA 1 40 ARG CB 1 40 ARG CG 1 40 ARG CD 30.00 -30.00 55.10 -86.51 79.62 . . 0 "[ . 1 . 2]"
99 CHI2 1 40 ARG CA 1 40 ARG CB 1 40 ARG CG 1 40 ARG CD 150.00 90.00 55.10 -86.51 79.62 . . 0 "[ . 1 . 2]"
100 CHI3 1 40 ARG CB 1 40 ARG CG 1 40 ARG CD 1 40 ARG NE -90.00 -150.00 155.24 -87.34 -150.62 . . 0 "[ . 1 . 2]"
101 CHI3 1 40 ARG CB 1 40 ARG CG 1 40 ARG CD 1 40 ARG NE 30.00 -30.00 155.24 -87.34 -150.62 . . 0 "[ . 1 . 2]"
102 CHI3 1 40 ARG CB 1 40 ARG CG 1 40 ARG CD 1 40 ARG NE 150.00 90.00 155.24 -87.34 -150.62 0.32 13 0 "[ . 1 . 2]"
103 CHI1 1 42 GLN N 1 42 GLN CA 1 42 GLN CB 1 42 GLN CG -90.00 -150.00 -88.28 -88.39 -88.90 0.31 18 0 "[ . 1 . 2]"
104 CHI1 1 42 GLN N 1 42 GLN CA 1 42 GLN CB 1 42 GLN CG 30.00 -30.00 -88.28 -88.39 -88.90 . . 0 "[ . 1 . 2]"
105 CHI1 1 42 GLN N 1 42 GLN CA 1 42 GLN CB 1 42 GLN CG 150.00 90.00 -88.28 -88.39 -88.90 . . 0 "[ . 1 . 2]"
106 CHI2 1 42 GLN CA 1 42 GLN CB 1 42 GLN CG 1 42 GLN CD -90.00 -150.00 -152.23 -152.87 -153.72 0.20 9 0 "[ . 1 . 2]"
107 CHI2 1 42 GLN CA 1 42 GLN CB 1 42 GLN CG 1 42 GLN CD 30.00 -30.00 -152.23 -152.87 -153.72 . . 0 "[ . 1 . 2]"
108 CHI2 1 42 GLN CA 1 42 GLN CB 1 42 GLN CG 1 42 GLN CD 150.00 90.00 -152.23 -152.87 -153.72 . . 0 "[ . 1 . 2]"
109 CHI1 1 43 LEU N 1 43 LEU CA 1 43 LEU CB 1 43 LEU CG -90.00 -150.00 -55.29 -62.35 -49.24 . . 0 "[ . 1 . 2]"
110 CHI1 1 43 LEU N 1 43 LEU CA 1 43 LEU CB 1 43 LEU CG 30.00 -30.00 -55.29 -62.35 -49.24 . . 0 "[ . 1 . 2]"
111 CHI1 1 43 LEU N 1 43 LEU CA 1 43 LEU CB 1 43 LEU CG 150.00 90.00 -55.29 -62.35 -49.24 . . 0 "[ . 1 . 2]"
112 CHI2 1 43 LEU CA 1 43 LEU CB 1 43 LEU CG 1 43 LEU CD1 -90.00 -150.00 173.32 172.88 172.61 . . 0 "[ . 1 . 2]"
113 CHI2 1 43 LEU CA 1 43 LEU CB 1 43 LEU CG 1 43 LEU CD1 30.00 -30.00 173.32 172.88 172.61 . . 0 "[ . 1 . 2]"
114 CHI2 1 43 LEU CA 1 43 LEU CB 1 43 LEU CG 1 43 LEU CD1 150.00 90.00 173.32 172.88 172.61 . . 0 "[ . 1 . 2]"
115 CHI1 1 44 ARG N 1 44 ARG CA 1 44 ARG CB 1 44 ARG CG -90.00 -150.00 145.64 169.62 68.73 . . 0 "[ . 1 . 2]"
116 CHI1 1 44 ARG N 1 44 ARG CA 1 44 ARG CB 1 44 ARG CG 30.00 -30.00 145.64 169.62 68.73 . . 0 "[ . 1 . 2]"
117 CHI1 1 44 ARG N 1 44 ARG CA 1 44 ARG CB 1 44 ARG CG 150.00 90.00 145.64 169.62 68.73 . . 0 "[ . 1 . 2]"
118 CHI2 1 44 ARG CA 1 44 ARG CB 1 44 ARG CG 1 44 ARG CD -90.00 -150.00 -168.02 -177.49 173.93 4.95 18 0 "[ . 1 . 2]"
119 CHI2 1 44 ARG CA 1 44 ARG CB 1 44 ARG CG 1 44 ARG CD 30.00 -30.00 -168.02 -177.49 173.93 . . 0 "[ . 1 . 2]"
120 CHI2 1 44 ARG CA 1 44 ARG CB 1 44 ARG CG 1 44 ARG CD 150.00 90.00 -168.02 -177.49 173.93 . . 0 "[ . 1 . 2]"
121 CHI3 1 44 ARG CB 1 44 ARG CG 1 44 ARG CD 1 44 ARG NE -90.00 -150.00 174.84 71.62 -47.89 . . 0 "[ . 1 . 2]"
122 CHI3 1 44 ARG CB 1 44 ARG CG 1 44 ARG CD 1 44 ARG NE 30.00 -30.00 174.84 71.62 -47.89 . . 0 "[ . 1 . 2]"
123 CHI3 1 44 ARG CB 1 44 ARG CG 1 44 ARG CD 1 44 ARG NE 150.00 90.00 174.84 71.62 -47.89 . . 0 "[ . 1 . 2]"
124 CHI1 1 46 GLN N 1 46 GLN CA 1 46 GLN CB 1 46 GLN CG -90.00 -150.00 68.31 52.08 78.48 . . 0 "[ . 1 . 2]"
125 CHI1 1 46 GLN N 1 46 GLN CA 1 46 GLN CB 1 46 GLN CG 30.00 -30.00 68.31 52.08 78.48 . . 0 "[ . 1 . 2]"
126 CHI1 1 46 GLN N 1 46 GLN CA 1 46 GLN CB 1 46 GLN CG 150.00 90.00 68.31 52.08 78.48 . . 0 "[ . 1 . 2]"
127 CHI2 1 46 GLN CA 1 46 GLN CB 1 46 GLN CG 1 46 GLN CD -90.00 -150.00 166.74 94.11 -152.64 . . 0 "[ . 1 . 2]"
128 CHI2 1 46 GLN CA 1 46 GLN CB 1 46 GLN CG 1 46 GLN CD 30.00 -30.00 166.74 94.11 -152.64 . . 0 "[ . 1 . 2]"
129 CHI2 1 46 GLN CA 1 46 GLN CB 1 46 GLN CG 1 46 GLN CD 150.00 90.00 166.74 94.11 -152.64 4.11 9 0 "[ . 1 . 2]"
130 CHI1 1 47 HIS N 1 47 HIS CA 1 47 HIS CB 1 47 HIS CG -90.00 -150.00 -55.28 -167.06 66.06 5.51 18 1 "[ . 1 . + 2]"
131 CHI1 1 47 HIS N 1 47 HIS CA 1 47 HIS CB 1 47 HIS CG 30.00 -30.00 -55.28 -167.06 66.06 . . 0 "[ . 1 . 2]"
132 CHI1 1 47 HIS N 1 47 HIS CA 1 47 HIS CB 1 47 HIS CG 150.00 90.00 -55.28 -167.06 66.06 . . 0 "[ . 1 . 2]"
133 CHI1 1 48 PHE N 1 48 PHE CA 1 48 PHE CB 1 48 PHE CG -90.00 -150.00 43.75 38.71 49.28 . . 0 "[ . 1 . 2]"
134 CHI1 1 48 PHE N 1 48 PHE CA 1 48 PHE CB 1 48 PHE CG 30.00 -30.00 43.75 38.71 49.28 . . 0 "[ . 1 . 2]"
135 CHI1 1 48 PHE N 1 48 PHE CA 1 48 PHE CB 1 48 PHE CG 150.00 90.00 43.75 38.71 49.28 . . 0 "[ . 1 . 2]"
136 CHI1 1 49 TYR N 1 49 TYR CA 1 49 TYR CB 1 49 TYR CG -90.00 -150.00 -79.33 -79.85 -80.11 . . 0 "[ . 1 . 2]"
137 CHI1 1 49 TYR N 1 49 TYR CA 1 49 TYR CB 1 49 TYR CG 30.00 -30.00 -79.33 -79.85 -80.11 . . 0 "[ . 1 . 2]"
138 CHI1 1 49 TYR N 1 49 TYR CA 1 49 TYR CB 1 49 TYR CG 150.00 90.00 -79.33 -79.85 -80.11 . . 0 "[ . 1 . 2]"
139 CHI1 1 51 VAL N 1 51 VAL CA 1 51 VAL CB 1 51 VAL CG1 -90.00 -150.00 178.98 179.57 178.69 . . 0 "[ . 1 . 2]"
140 CHI1 1 51 VAL N 1 51 VAL CA 1 51 VAL CB 1 51 VAL CG1 30.00 -30.00 178.98 179.57 178.69 . . 0 "[ . 1 . 2]"
141 CHI1 1 51 VAL N 1 51 VAL CA 1 51 VAL CB 1 51 VAL CG1 150.00 90.00 178.98 179.57 178.69 . . 0 "[ . 1 . 2]"
142 CHI1 1 52 GLU N 1 52 GLU CA 1 52 GLU CB 1 52 GLU CG -90.00 -150.00 -64.26 -80.49 31.37 . . 0 "[ . 1 . 2]"
143 CHI1 1 52 GLU N 1 52 GLU CA 1 52 GLU CB 1 52 GLU CG 30.00 -30.00 -64.26 -80.49 31.37 . . 0 "[ . 1 . 2]"
144 CHI1 1 52 GLU N 1 52 GLU CA 1 52 GLU CB 1 52 GLU CG 150.00 90.00 -64.26 -80.49 31.37 . . 0 "[ . 1 . 2]"
145 CHI2 1 52 GLU CA 1 52 GLU CB 1 52 GLU CG 1 52 GLU CD -90.00 -150.00 -167.23 167.00 -154.18 . . 0 "[ . 1 . 2]"
146 CHI2 1 52 GLU CA 1 52 GLU CB 1 52 GLU CG 1 52 GLU CD 30.00 -30.00 -167.23 167.00 -154.18 . . 0 "[ . 1 . 2]"
147 CHI2 1 52 GLU CA 1 52 GLU CB 1 52 GLU CG 1 52 GLU CD 150.00 90.00 -167.23 167.00 -154.18 . . 0 "[ . 1 . 2]"
148 CHI1 1 53 ARG N 1 53 ARG CA 1 53 ARG CB 1 53 ARG CG -90.00 -150.00 -64.97 -70.80 -73.98 . . 0 "[ . 1 . 2]"
149 CHI1 1 53 ARG N 1 53 ARG CA 1 53 ARG CB 1 53 ARG CG 30.00 -30.00 -64.97 -70.80 -73.98 . . 0 "[ . 1 . 2]"
150 CHI1 1 53 ARG N 1 53 ARG CA 1 53 ARG CB 1 53 ARG CG 150.00 90.00 -64.97 -70.80 -73.98 . . 0 "[ . 1 . 2]"
151 CHI2 1 53 ARG CA 1 53 ARG CB 1 53 ARG CG 1 53 ARG CD -90.00 -150.00 -134.70 164.51 -77.23 0.01 11 0 "[ . 1 . 2]"
152 CHI2 1 53 ARG CA 1 53 ARG CB 1 53 ARG CG 1 53 ARG CD 30.00 -30.00 -134.70 164.51 -77.23 . . 0 "[ . 1 . 2]"
153 CHI2 1 53 ARG CA 1 53 ARG CB 1 53 ARG CG 1 53 ARG CD 150.00 90.00 -134.70 164.51 -77.23 . . 0 "[ . 1 . 2]"
154 CHI3 1 53 ARG CB 1 53 ARG CG 1 53 ARG CD 1 53 ARG NE -90.00 -150.00 165.26 -86.67 -154.95 . . 0 "[ . 1 . 2]"
155 CHI3 1 53 ARG CB 1 53 ARG CG 1 53 ARG CD 1 53 ARG NE 30.00 -30.00 165.26 -86.67 -154.95 . . 0 "[ . 1 . 2]"
156 CHI3 1 53 ARG CB 1 53 ARG CG 1 53 ARG CD 1 53 ARG NE 150.00 90.00 165.26 -86.67 -154.95 0.08 13 0 "[ . 1 . 2]"
157 CHI1 1 54 ARG N 1 54 ARG CA 1 54 ARG CB 1 54 ARG CG -90.00 -150.00 -78.25 -85.71 -58.38 . . 0 "[ . 1 . 2]"
158 CHI1 1 54 ARG N 1 54 ARG CA 1 54 ARG CB 1 54 ARG CG 30.00 -30.00 -78.25 -85.71 -58.38 . . 0 "[ . 1 . 2]"
159 CHI1 1 54 ARG N 1 54 ARG CA 1 54 ARG CB 1 54 ARG CG 150.00 90.00 -78.25 -85.71 -58.38 . . 0 "[ . 1 . 2]"
160 CHI2 1 54 ARG CA 1 54 ARG CB 1 54 ARG CG 1 54 ARG CD -90.00 -150.00 -154.31 -159.40 -161.73 1.63 18 0 "[ . 1 . 2]"
161 CHI2 1 54 ARG CA 1 54 ARG CB 1 54 ARG CG 1 54 ARG CD 30.00 -30.00 -154.31 -159.40 -161.73 . . 0 "[ . 1 . 2]"
162 CHI2 1 54 ARG CA 1 54 ARG CB 1 54 ARG CG 1 54 ARG CD 150.00 90.00 -154.31 -159.40 -161.73 . . 0 "[ . 1 . 2]"
163 CHI3 1 54 ARG CB 1 54 ARG CG 1 54 ARG CD 1 54 ARG NE -90.00 -150.00 168.14 150.47 -93.60 3.60 12 0 "[ . 1 . 2]"
164 CHI3 1 54 ARG CB 1 54 ARG CG 1 54 ARG CD 1 54 ARG NE 30.00 -30.00 168.14 150.47 -93.60 . . 0 "[ . 1 . 2]"
165 CHI3 1 54 ARG CB 1 54 ARG CG 1 54 ARG CD 1 54 ARG NE 150.00 90.00 168.14 150.47 -93.60 . . 0 "[ . 1 . 2]"
166 CHI1 1 56 TYR N 1 56 TYR CA 1 56 TYR CB 1 56 TYR CG -90.00 -150.00 -65.35 -64.43 -64.70 . . 0 "[ . 1 . 2]"
167 CHI1 1 56 TYR N 1 56 TYR CA 1 56 TYR CB 1 56 TYR CG 30.00 -30.00 -65.35 -64.43 -64.70 . . 0 "[ . 1 . 2]"
168 CHI1 1 56 TYR N 1 56 TYR CA 1 56 TYR CB 1 56 TYR CG 150.00 90.00 -65.35 -64.43 -64.70 . . 0 "[ . 1 . 2]"
169 CHI1 1 57 CYS N 1 57 CYS CA 1 57 CYS CB 1 57 CYS SG -90.00 -150.00 59.05 60.70 59.89 . . 0 "[ . 1 . 2]"
170 CHI1 1 57 CYS N 1 57 CYS CA 1 57 CYS CB 1 57 CYS SG 30.00 -30.00 59.05 60.70 59.89 . . 0 "[ . 1 . 2]"
171 CHI1 1 57 CYS N 1 57 CYS CA 1 57 CYS CB 1 57 CYS SG 150.00 90.00 59.05 60.70 59.89 . . 0 "[ . 1 . 2]"
172 CHI1 1 58 GLU N 1 58 GLU CA 1 58 GLU CB 1 58 GLU CG -90.00 -150.00 -179.75 171.27 -161.80 . . 0 "[ . 1 . 2]"
173 CHI1 1 58 GLU N 1 58 GLU CA 1 58 GLU CB 1 58 GLU CG 30.00 -30.00 -179.75 171.27 -161.80 . . 0 "[ . 1 . 2]"
174 CHI1 1 58 GLU N 1 58 GLU CA 1 58 GLU CB 1 58 GLU CG 150.00 90.00 -179.75 171.27 -161.80 . . 0 "[ . 1 . 2]"
175 CHI2 1 58 GLU CA 1 58 GLU CB 1 58 GLU CG 1 58 GLU CD -90.00 -150.00 -163.93 173.89 168.51 0.01 15 0 "[ . 1 . 2]"
176 CHI2 1 58 GLU CA 1 58 GLU CB 1 58 GLU CG 1 58 GLU CD 30.00 -30.00 -163.93 173.89 168.51 . . 0 "[ . 1 . 2]"
177 CHI2 1 58 GLU CA 1 58 GLU CB 1 58 GLU CG 1 58 GLU CD 150.00 90.00 -163.93 173.89 168.51 . . 0 "[ . 1 . 2]"
178 CHI1 1 60 CYS N 1 60 CYS CA 1 60 CYS CB 1 60 CYS SG -90.00 -150.00 -84.23 -87.10 -88.26 0.07 1 0 "[ . 1 . 2]"
179 CHI1 1 60 CYS N 1 60 CYS CA 1 60 CYS CB 1 60 CYS SG 30.00 -30.00 -84.23 -87.10 -88.26 . . 0 "[ . 1 . 2]"
180 CHI1 1 60 CYS N 1 60 CYS CA 1 60 CYS CB 1 60 CYS SG 150.00 90.00 -84.23 -87.10 -88.26 . . 0 "[ . 1 . 2]"
181 CHI1 1 61 TYR N 1 61 TYR CA 1 61 TYR CB 1 61 TYR CG -90.00 -150.00 178.22 174.18 -178.51 . . 0 "[ . 1 . 2]"
182 CHI1 1 61 TYR N 1 61 TYR CA 1 61 TYR CB 1 61 TYR CG 30.00 -30.00 178.22 174.18 -178.51 . . 0 "[ . 1 . 2]"
183 CHI1 1 61 TYR N 1 61 TYR CA 1 61 TYR CB 1 61 TYR CG 150.00 90.00 178.22 174.18 -178.51 . . 0 "[ . 1 . 2]"
184 CHI1 1 62 VAL N 1 62 VAL CA 1 62 VAL CB 1 62 VAL CG1 -90.00 -150.00 176.57 177.83 177.33 . . 0 "[ . 1 . 2]"
185 CHI1 1 62 VAL N 1 62 VAL CA 1 62 VAL CB 1 62 VAL CG1 30.00 -30.00 176.57 177.83 177.33 . . 0 "[ . 1 . 2]"
186 CHI1 1 62 VAL N 1 62 VAL CA 1 62 VAL CB 1 62 VAL CG1 150.00 90.00 176.57 177.83 177.33 . . 0 "[ . 1 . 2]"
187 CHI1 1 64 THR N 1 64 THR CA 1 64 THR CB 1 64 THR OG1 -90.00 -150.00 62.27 62.13 61.48 . . 0 "[ . 1 . 2]"
188 CHI1 1 64 THR N 1 64 THR CA 1 64 THR CB 1 64 THR OG1 30.00 -30.00 62.27 62.13 61.48 . . 0 "[ . 1 . 2]"
189 CHI1 1 64 THR N 1 64 THR CA 1 64 THR CB 1 64 THR OG1 150.00 90.00 62.27 62.13 61.48 . . 0 "[ . 1 . 2]"
190 CHI1 1 65 LEU N 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG -90.00 -150.00 -58.42 -60.10 -61.05 . . 0 "[ . 1 . 2]"
191 CHI1 1 65 LEU N 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 30.00 -30.00 -58.42 -60.10 -61.05 . . 0 "[ . 1 . 2]"
192 CHI1 1 65 LEU N 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 150.00 90.00 -58.42 -60.10 -61.05 . . 0 "[ . 1 . 2]"
193 CHI2 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 1 65 LEU CD1 -90.00 -150.00 164.89 153.68 173.73 . . 0 "[ . 1 . 2]"
194 CHI2 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 1 65 LEU CD1 30.00 -30.00 164.89 153.68 173.73 . . 0 "[ . 1 . 2]"
195 CHI2 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 1 65 LEU CD1 150.00 90.00 164.89 153.68 173.73 . . 0 "[ . 1 . 2]"
196 CHI1 1 66 GLU N 1 66 GLU CA 1 66 GLU CB 1 66 GLU CG -90.00 -150.00 -50.75 -63.90 -71.61 5.27 13 1 "[ . 1 + . 2]"
197 CHI1 1 66 GLU N 1 66 GLU CA 1 66 GLU CB 1 66 GLU CG 30.00 -30.00 -50.75 -63.90 -71.61 . . 0 "[ . 1 . 2]"
198 CHI1 1 66 GLU N 1 66 GLU CA 1 66 GLU CB 1 66 GLU CG 150.00 90.00 -50.75 -63.90 -71.61 3.71 16 0 "[ . 1 . 2]"
199 CHI2 1 66 GLU CA 1 66 GLU CB 1 66 GLU CG 1 66 GLU CD -90.00 -150.00 152.56 -87.66 -158.90 . . 0 "[ . 1 . 2]"
200 CHI2 1 66 GLU CA 1 66 GLU CB 1 66 GLU CG 1 66 GLU CD 30.00 -30.00 152.56 -87.66 -158.90 . . 0 "[ . 1 . 2]"
201 CHI2 1 66 GLU CA 1 66 GLU CB 1 66 GLU CG 1 66 GLU CD 150.00 90.00 152.56 -87.66 -158.90 . . 0 "[ . 1 . 2]"
202 CHI1 1 67 SER N 1 67 SER CA 1 67 SER CB 1 67 SER OG -90.00 -150.00 167.74 38.86 -53.30 . . 0 "[ . 1 . 2]"
203 CHI1 1 67 SER N 1 67 SER CA 1 67 SER CB 1 67 SER OG 30.00 -30.00 167.74 38.86 -53.30 . . 0 "[ . 1 . 2]"
204 CHI1 1 67 SER N 1 67 SER CA 1 67 SER CB 1 67 SER OG 150.00 90.00 167.74 38.86 -53.30 . . 0 "[ . 1 . 2]"
205 CHI1 1 70 SER N 1 70 SER CA 1 70 SER CB 1 70 SER OG -90.00 -150.00 -110.16 54.51 -58.80 . . 0 "[ . 1 . 2]"
206 CHI1 1 70 SER N 1 70 SER CA 1 70 SER CB 1 70 SER OG 30.00 -30.00 -110.16 54.51 -58.80 . . 0 "[ . 1 . 2]"
207 CHI1 1 70 SER N 1 70 SER CA 1 70 SER CB 1 70 SER OG 150.00 90.00 -110.16 54.51 -58.80 . . 0 "[ . 1 . 2]"
208 CHI1 1 71 SER N 1 71 SER CA 1 71 SER CB 1 71 SER OG -90.00 -150.00 176.37 42.77 -51.62 . . 0 "[ . 1 . 2]"
209 CHI1 1 71 SER N 1 71 SER CA 1 71 SER CB 1 71 SER OG 30.00 -30.00 176.37 42.77 -51.62 . . 0 "[ . 1 . 2]"
210 CHI1 1 71 SER N 1 71 SER CA 1 71 SER CB 1 71 SER OG 150.00 90.00 176.37 42.77 -51.62 . . 0 "[ . 1 . 2]"
stop_
save_
save_distance_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 52
_TA_constraint_stats_list.Viol_count 57
_TA_constraint_stats_list.Viol_total 365.08
_TA_constraint_stats_list.Viol_max 1.35
_TA_constraint_stats_list.Viol_rms 0.09
_TA_constraint_stats_list.Viol_average_all_restraints 0.02
_TA_constraint_stats_list.Viol_average_violations_only 0.32
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 CHI1 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG 150.00 -150.00 178.37 179.06 178.75 . . 0 "[ . 1 . 2]"
2 CHI1 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG 30.00 90.00 56.56 54.54 52.98 . . 0 "[ . 1 . 2]"
3 CHI1 1 33 CYS N 1 33 CYS CA 1 33 CYS CB 1 33 CYS SG -90.00 -30.00 -71.56 -72.79 -73.04 . . 0 "[ . 1 . 2]"
4 CHI1 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG 150.00 -150.00 -167.86 -167.01 -167.65 . . 0 "[ . 1 . 2]"
5 CHI1 1 39 CYS N 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG 30.00 90.00 76.65 72.69 67.21 . . 0 "[ . 1 . 2]"
6 CHI1 1 57 CYS N 1 57 CYS CA 1 57 CYS CB 1 57 CYS SG 30.00 90.00 59.05 60.70 59.89 . . 0 "[ . 1 . 2]"
7 CHI1 1 30 HIS N 1 30 HIS CA 1 30 HIS CB 1 30 HIS CG -90.00 -30.00 -75.87 -85.26 -68.13 . . 0 "[ . 1 . 2]"
8 CHI1 1 31 VAL N 1 31 VAL CA 1 31 VAL CB 1 31 VAL CG1 -90.00 -30.00 -63.40 -72.87 -56.68 . . 0 "[ . 1 . 2]"
9 PHI 1 21 GLY C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -139.70 -79.70 -101.90 -92.81 -96.31 0.30 19 0 "[ . 1 . 2]"
10 PSI 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 VAL N 105.80 165.80 112.46 105.60 122.88 0.20 19 0 "[ . 1 . 2]"
11 PHI 1 22 VAL C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -134.30 -74.30 -92.65 -105.55 -74.69 . . 0 "[ . 1 . 2]"
12 PSI 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 ALA N 99.40 159.40 123.14 112.07 148.85 . . 0 "[ . 1 . 2]"
13 PHI 1 23 VAL C 1 24 ALA N 1 24 ALA CA 1 24 ALA C -155.70 -95.70 -150.23 -150.66 -151.32 0.97 14 0 "[ . 1 . 2]"
14 PSI 1 24 ALA N 1 24 ALA CA 1 24 ALA C 1 25 LEU N 112.20 172.20 134.51 138.45 137.23 . . 0 "[ . 1 . 2]"
15 PHI 1 26 ASP C 1 27 ARG N 1 27 ARG CA 1 27 ARG C -139.30 -79.30 -139.60 -139.56 -139.62 1.35 20 0 "[ . 1 . 2]"
16 PSI 1 27 ARG N 1 27 ARG CA 1 27 ARG C 1 28 VAL N 119.60 179.60 175.16 177.69 177.27 . . 0 "[ . 1 . 2]"
17 PHI 1 27 ARG C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -155.40 -95.40 -126.35 -136.32 -112.18 . . 0 "[ . 1 . 2]"
18 PSI 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 PHE N 110.70 170.70 129.50 129.41 129.04 . . 0 "[ . 1 . 2]"
19 PHI 1 28 VAL C 1 29 PHE N 1 29 PHE CA 1 29 PHE C -145.00 -85.00 -136.56 -145.40 -128.18 0.40 14 0 "[ . 1 . 2]"
20 PSI 1 29 PHE N 1 29 PHE CA 1 29 PHE C 1 30 HIS N 118.30 178.30 144.12 136.05 153.49 . . 0 "[ . 1 . 2]"
21 PHI 1 47 HIS C 1 48 PHE N 1 48 PHE CA 1 48 PHE C -163.70 -103.70 -143.05 -127.35 -132.49 0.08 19 0 "[ . 1 . 2]"
22 PSI 1 48 PHE N 1 48 PHE CA 1 48 PHE C 1 49 TYR N 125.50 -174.50 174.48 164.72 178.29 . . 0 "[ . 1 . 2]"
23 PHI 1 48 PHE C 1 49 TYR N 1 49 TYR CA 1 49 TYR C -161.30 -101.30 -118.81 -126.96 -109.83 . . 0 "[ . 1 . 2]"
24 PSI 1 49 TYR N 1 49 TYR CA 1 49 TYR C 1 50 ALA N 113.90 173.90 156.30 139.02 173.61 . . 0 "[ . 1 . 2]"
25 PHI 1 49 TYR C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -147.30 -87.30 -121.88 -123.95 -126.81 . . 0 "[ . 1 . 2]"
26 PSI 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 VAL N 110.40 170.40 111.97 111.07 110.66 0.09 9 0 "[ . 1 . 2]"
27 PHI 1 50 ALA C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -160.40 -100.40 -137.82 -143.48 -134.04 . . 0 "[ . 1 . 2]"
28 PSI 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 GLU N 93.40 153.40 119.76 122.04 121.23 . . 0 "[ . 1 . 2]"
29 PHI 1 53 ARG C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -130.80 -70.80 -130.00 -131.59 -119.18 0.79 7 0 "[ . 1 . 2]"
30 PSI 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 ALA N 121.00 -179.00 177.21 174.52 179.74 . . 0 "[ . 1 . 2]"
31 PHI 1 54 ARG C 1 55 ALA N 1 55 ALA CA 1 55 ALA C -150.60 -90.50 -125.78 -129.69 -118.73 . . 0 "[ . 1 . 2]"
32 PSI 1 55 ALA N 1 55 ALA CA 1 55 ALA C 1 56 TYR N 112.70 172.70 118.90 113.46 132.51 . . 0 "[ . 1 . 2]"
33 PHI 1 55 ALA C 1 56 TYR N 1 56 TYR CA 1 56 TYR C -161.30 -101.30 -124.14 -123.73 -124.43 . . 0 "[ . 1 . 2]"
34 PSI 1 56 TYR N 1 56 TYR CA 1 56 TYR C 1 57 CYS N 118.80 178.80 122.69 120.23 119.80 0.09 10 0 "[ . 1 . 2]"
35 PHI 1 56 TYR C 1 57 CYS N 1 57 CYS CA 1 57 CYS C -111.70 -51.70 -67.51 -62.70 -63.93 . . 0 "[ . 1 . 2]"
36 PSI 1 57 CYS N 1 57 CYS CA 1 57 CYS C 1 58 GLU N 133.10 -166.90 146.24 143.74 141.98 . . 0 "[ . 1 . 2]"
37 PHI 1 57 CYS C 1 58 GLU N 1 58 GLU CA 1 58 GLU C -87.00 -27.00 -34.59 -41.68 -32.91 . . 0 "[ . 1 . 2]"
38 PSI 1 58 GLU N 1 58 GLU CA 1 58 GLU C 1 59 GLY N -68.60 -8.60 -52.98 -61.58 -45.72 . . 0 "[ . 1 . 2]"
39 PHI 1 58 GLU C 1 59 GLY N 1 59 GLY CA 1 59 GLY C -96.00 -36.00 -50.59 -49.59 -50.34 . . 0 "[ . 1 . 2]"
40 PSI 1 59 GLY N 1 59 GLY CA 1 59 GLY C 1 60 CYS N -70.40 -10.40 -64.02 -70.39 -57.08 . . 0 "[ . 1 . 2]"
41 PHI 1 59 GLY C 1 60 CYS N 1 60 CYS CA 1 60 CYS C -93.50 -33.50 -53.88 -56.04 -58.53 . . 0 "[ . 1 . 2]"
42 PSI 1 60 CYS N 1 60 CYS CA 1 60 CYS C 1 61 TYR N -73.10 -13.10 -55.99 -60.75 -49.88 . . 0 "[ . 1 . 2]"
43 PHI 1 60 CYS C 1 61 TYR N 1 61 TYR CA 1 61 TYR C -90.90 -30.90 -42.34 -39.06 -39.51 . . 0 "[ . 1 . 2]"
44 PSI 1 61 TYR N 1 61 TYR CA 1 61 TYR C 1 62 VAL N -74.00 -14.00 -42.68 -46.19 -37.71 . . 0 "[ . 1 . 2]"
45 PHI 1 61 TYR C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -93.70 -33.60 -73.56 -76.60 -79.36 . . 0 "[ . 1 . 2]"
46 PSI 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 ALA N -71.70 -11.70 -39.90 -42.92 -33.94 . . 0 "[ . 1 . 2]"
47 PHI 1 62 VAL C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -90.00 -30.00 -60.89 -64.42 -68.74 . . 0 "[ . 1 . 2]"
48 PSI 1 63 ALA N 1 63 ALA CA 1 63 ALA C 1 64 THR N -63.70 -3.70 -40.57 -41.07 -42.18 . . 0 "[ . 1 . 2]"
49 PHI 1 63 ALA C 1 64 THR N 1 64 THR CA 1 64 THR C -104.80 -44.80 -59.59 -54.39 -54.67 . . 0 "[ . 1 . 2]"
50 PSI 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 LEU N -62.80 -2.80 -42.56 -50.96 -34.24 . . 0 "[ . 1 . 2]"
51 PHI 1 64 THR C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -105.70 -45.70 -58.34 -75.55 -45.59 0.11 18 0 "[ . 1 . 2]"
52 PSI 1 65 LEU N 1 65 LEU CA 1 65 LEU C 1 66 GLU N -51.30 8.70 -46.47 -47.12 -48.68 0.56 1 0 "[ . 1 . 2]"
stop_
save_
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