NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406715 |
1xut   |
6384 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1xut
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 98
_TA_constraint_stats_list.Viol_count 228
_TA_constraint_stats_list.Viol_total 2518.76
_TA_constraint_stats_list.Viol_max 2.51
_TA_constraint_stats_list.Viol_rms 0.25
_TA_constraint_stats_list.Viol_average_all_restraints 0.06
_TA_constraint_stats_list.Viol_average_violations_only 0.55
_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 . 1 8 CYS CB 1 8 CYS SG 1 23 CYS SG 1 23 CYS CB 70.00 -70.00 -111.27 73.46 -73.56 . . 0 "[ . 1 . 2]"
2 . 1 8 CYS CB 1 8 CYS SG 1 23 CYS SG 1 23 CYS CB -110.00 110.00 -111.27 73.46 -73.56 0.75 4 0 "[ . 1 . 2]"
3 . 1 26 CYS CB 1 26 CYS SG 1 37 CYS SG 1 37 CYS CB 70.00 -70.00 -68.99 -69.63 -69.68 0.55 14 0 "[ . 1 . 2]"
4 . 1 26 CYS CB 1 26 CYS SG 1 37 CYS SG 1 37 CYS CB -110.00 110.00 -68.99 -69.63 -69.68 . . 0 "[ . 1 . 2]"
5 . 1 30 CYS CB 1 30 CYS SG 1 41 CYS SG 1 41 CYS CB 70.00 -70.00 66.58 -68.18 70.02 1.99 10 0 "[ . 1 . 2]"
6 . 1 30 CYS CB 1 30 CYS SG 1 41 CYS SG 1 41 CYS CB -110.00 110.00 66.58 -68.18 70.02 . . 0 "[ . 1 . 2]"
7 . 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG 30.00 -30.00 -84.59 176.70 67.78 . . 0 "[ . 1 . 2]"
8 . 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG 150.00 90.00 -84.59 176.70 67.78 . . 0 "[ . 1 . 2]"
9 . 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG -90.00 -150.00 -84.59 176.70 67.78 0.88 4 0 "[ . 1 . 2]"
10 . 1 23 CYS N 1 23 CYS CA 1 23 CYS CB 1 23 CYS SG 30.00 -30.00 32.33 179.14 61.76 . . 0 "[ . 1 . 2]"
11 . 1 23 CYS N 1 23 CYS CA 1 23 CYS CB 1 23 CYS SG 150.00 90.00 32.33 179.14 61.76 . . 0 "[ . 1 . 2]"
12 . 1 23 CYS N 1 23 CYS CA 1 23 CYS CB 1 23 CYS SG -90.00 -150.00 32.33 179.14 61.76 . . 0 "[ . 1 . 2]"
13 . 1 26 CYS N 1 26 CYS CA 1 26 CYS CB 1 26 CYS SG 30.00 -30.00 -72.65 -89.58 -60.84 . . 0 "[ . 1 . 2]"
14 . 1 26 CYS N 1 26 CYS CA 1 26 CYS CB 1 26 CYS SG 150.00 90.00 -72.65 -89.58 -60.84 . . 0 "[ . 1 . 2]"
15 . 1 26 CYS N 1 26 CYS CA 1 26 CYS CB 1 26 CYS SG -90.00 -150.00 -72.65 -89.58 -60.84 . . 0 "[ . 1 . 2]"
16 . 1 1 GLY C 1 2 SER N 1 2 SER CA 1 2 SER C -179.00 -1.00 -109.63 -61.77 -70.40 . . 0 "[ . 1 . 2]"
17 . 1 3 PRO C 1 4 TRP N 1 4 TRP CA 1 4 TRP C -179.00 -1.00 -102.19 -131.92 -62.76 . . 0 "[ . 1 . 2]"
18 . 1 4 TRP C 1 5 SER N 1 5 SER CA 1 5 SER C -179.00 -1.00 -134.31 -178.44 -54.65 . . 0 "[ . 1 . 2]"
19 . 1 5 SER C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -106.00 -46.00 -95.23 -72.40 -80.62 0.47 11 0 "[ . 1 . 2]"
20 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 SER N -60.00 20.00 -17.44 -56.28 20.40 0.40 16 0 "[ . 1 . 2]"
21 . 1 6 LEU C 1 7 SER N 1 7 SER CA 1 7 SER C -179.00 -1.00 -102.42 -178.18 -54.54 . . 0 "[ . 1 . 2]"
22 . 1 7 SER C 1 8 CYS N 1 8 CYS CA 1 8 CYS C -163.00 -103.00 -137.59 -120.13 -129.52 0.16 13 0 "[ . 1 . 2]"
23 . 1 8 CYS N 1 8 CYS CA 1 8 CYS C 1 9 ARG N 115.00 -165.00 158.61 165.23 152.74 0.28 9 0 "[ . 1 . 2]"
24 . 1 8 CYS C 1 9 ARG N 1 9 ARG CA 1 9 ARG C -118.00 -58.00 -85.90 -84.28 -97.12 0.50 9 0 "[ . 1 . 2]"
25 . 1 9 ARG N 1 9 ARG CA 1 9 ARG C 1 10 LYS N 96.00 176.00 143.96 127.36 99.82 0.81 9 0 "[ . 1 . 2]"
26 . 1 9 ARG C 1 10 LYS N 1 10 LYS CA 1 10 LYS C -94.00 -34.00 -80.96 -90.77 -94.00 0.67 9 0 "[ . 1 . 2]"
27 . 1 10 LYS N 1 10 LYS CA 1 10 LYS C 1 11 GLU N -72.00 8.00 -18.39 3.79 -7.64 0.55 12 0 "[ . 1 . 2]"
28 . 1 10 LYS C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -179.00 -1.00 -76.30 -60.66 -119.99 . . 0 "[ . 1 . 2]"
29 . 1 11 GLU C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -93.00 -33.00 -75.22 -93.07 -59.47 0.07 15 0 "[ . 1 . 2]"
30 . 1 12 GLN N 1 12 GLN CA 1 12 GLN C 1 13 GLY N -78.00 2.00 -29.03 -20.74 -24.25 . . 0 "[ . 1 . 2]"
31 . 1 13 GLY C 1 14 LYS N 1 14 LYS CA 1 14 LYS C -160.00 -100.00 -139.06 -145.24 -151.61 0.06 1 0 "[ . 1 . 2]"
32 . 1 14 LYS N 1 14 LYS CA 1 14 LYS C 1 15 PHE N 116.00 -164.00 154.43 123.10 -177.90 . . 0 "[ . 1 . 2]"
33 . 1 14 LYS C 1 15 PHE N 1 15 PHE CA 1 15 PHE C -173.00 -113.00 -135.96 -151.08 -159.16 0.13 12 0 "[ . 1 . 2]"
34 . 1 15 PHE N 1 15 PHE CA 1 15 PHE C 1 16 TYR N 110.00 -170.00 171.45 169.19 168.18 . . 0 "[ . 1 . 2]"
35 . 1 15 PHE N 1 15 PHE CA 1 15 PHE CB 1 15 PHE CG 30.00 90.00 75.36 64.99 86.01 . . 0 "[ . 1 . 2]"
36 . 1 15 PHE C 1 16 TYR N 1 16 TYR CA 1 16 TYR C -117.00 -57.00 -116.01 -117.59 -109.98 0.59 18 0 "[ . 1 . 2]"
37 . 1 16 TYR N 1 16 TYR CA 1 16 TYR C 1 17 ASP N 85.00 165.00 125.68 124.11 123.18 . . 0 "[ . 1 . 2]"
38 . 1 16 TYR N 1 16 TYR CA 1 16 TYR CB 1 16 TYR CG 150.00 -150.00 -166.12 -169.91 -173.58 . . 0 "[ . 1 . 2]"
39 . 1 16 TYR C 1 17 ASP N 1 17 ASP CA 1 17 ASP C -126.00 -66.00 -101.61 -114.92 -84.04 . . 0 "[ . 1 . 2]"
40 . 1 17 ASP N 1 17 ASP CA 1 17 ASP C 1 18 HIS N 84.00 164.00 115.61 111.76 106.59 . . 0 "[ . 1 . 2]"
41 . 1 17 ASP C 1 18 HIS N 1 18 HIS CA 1 18 HIS C -92.00 -32.00 -61.36 -82.51 -46.95 . . 0 "[ . 1 . 2]"
42 . 1 18 HIS N 1 18 HIS CA 1 18 HIS C 1 19 LEU N -71.00 9.00 -50.62 -53.67 -59.90 . . 0 "[ . 1 . 2]"
43 . 1 18 HIS C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -99.00 -39.00 -55.13 -62.88 -46.81 . . 0 "[ . 1 . 2]"
44 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 LEU N -72.00 8.00 -22.87 -25.24 -27.47 . . 0 "[ . 1 . 2]"
45 . 1 19 LEU N 1 19 LEU CA 1 19 LEU CB 1 19 LEU CG -90.00 90.00 55.81 50.84 46.77 . . 0 "[ . 1 . 2]"
46 . 1 19 LEU N 1 19 LEU CA 1 19 LEU CB 1 19 LEU CG 30.00 -30.00 55.81 50.84 46.77 . . 0 "[ . 1 . 2]"
47 . 1 19 LEU C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -111.00 -51.00 -101.81 -105.59 -94.09 . . 0 "[ . 1 . 2]"
48 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 ARG N -46.00 34.00 -24.87 -25.63 -27.11 . . 0 "[ . 1 . 2]"
49 . 1 20 LEU N 1 20 LEU CA 1 20 LEU CB 1 20 LEU CG -90.00 -30.00 -68.26 -71.56 -61.39 . . 0 "[ . 1 . 2]"
50 . 1 20 LEU C 1 21 ARG N 1 21 ARG CA 1 21 ARG C 27.00 87.00 67.18 69.43 69.13 . . 0 "[ . 1 . 2]"
51 . 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 ASP N 0.00 80.00 15.42 14.01 12.47 . . 0 "[ . 1 . 2]"
52 . 1 21 ARG C 1 22 ASP N 1 22 ASP CA 1 22 ASP C -156.00 -96.00 -126.13 -134.03 -120.15 . . 0 "[ . 1 . 2]"
53 . 1 22 ASP N 1 22 ASP CA 1 22 ASP C 1 23 CYS N 101.00 -179.00 178.10 172.04 -178.85 0.15 19 0 "[ . 1 . 2]"
54 . 1 22 ASP C 1 23 CYS N 1 23 CYS CA 1 23 CYS C -164.00 -104.00 -103.93 -103.66 -103.69 0.57 8 0 "[ . 1 . 2]"
55 . 1 23 CYS N 1 23 CYS CA 1 23 CYS C 1 24 ILE N 91.00 171.00 103.90 91.91 117.89 . . 0 "[ . 1 . 2]"
56 . 1 23 CYS C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -133.00 -73.00 -97.42 -101.47 -105.93 . . 0 "[ . 1 . 2]"
57 . 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 SER N 91.00 171.00 149.14 123.96 160.65 . . 0 "[ . 1 . 2]"
58 . 1 24 ILE N 1 24 ILE CA 1 24 ILE CB 1 24 ILE CG1 -90.00 -30.00 -53.42 -60.24 -48.63 . . 0 "[ . 1 . 2]"
59 . 1 24 ILE C 1 25 SER N 1 25 SER CA 1 25 SER C -138.00 -78.00 -93.20 -77.90 -82.32 0.10 2 0 "[ . 1 . 2]"
60 . 1 25 SER N 1 25 SER CA 1 25 SER C 1 26 CYS N 88.00 168.00 166.81 168.64 168.47 0.81 3 0 "[ . 1 . 2]"
61 . 1 25 SER C 1 26 CYS N 1 26 CYS CA 1 26 CYS C -154.00 -94.00 -99.92 -94.71 -97.51 0.71 12 0 "[ . 1 . 2]"
62 . 1 26 CYS C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -99.00 -39.00 -65.16 -65.61 -68.32 0.07 9 0 "[ . 1 . 2]"
63 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 SER N -73.00 7.00 -32.40 -29.49 -30.66 . . 0 "[ . 1 . 2]"
64 . 1 27 ALA C 1 28 SER N 1 28 SER CA 1 28 SER C -104.00 -44.00 -75.76 -72.40 -73.59 . . 0 "[ . 1 . 2]"
65 . 1 28 SER N 1 28 SER CA 1 28 SER C 1 29 ILE N -73.00 7.00 -14.94 -17.24 -19.90 . . 0 "[ . 1 . 2]"
66 . 1 28 SER C 1 29 ILE N 1 29 ILE CA 1 29 ILE C -179.00 -1.00 -117.96 -135.95 -95.88 . . 0 "[ . 1 . 2]"
67 . 1 29 ILE N 1 29 ILE CA 1 29 ILE CB 1 29 ILE CG1 30.00 90.00 47.07 29.06 63.12 0.94 12 0 "[ . 1 . 2]"
68 . 1 30 CYS N 1 30 CYS CA 1 30 CYS C 1 31 GLY N 117.00 -163.00 120.57 116.39 154.36 0.61 17 0 "[ . 1 . 2]"
69 . 1 30 CYS N 1 30 CYS CA 1 30 CYS CB 1 30 CYS SG -90.00 90.00 -91.16 -92.02 -88.01 2.02 11 0 "[ . 1 . 2]"
70 . 1 30 CYS N 1 30 CYS CA 1 30 CYS CB 1 30 CYS SG 30.00 -30.00 -91.16 -92.02 -88.01 . . 0 "[ . 1 . 2]"
71 . 1 31 GLY C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -179.00 -1.00 -136.48 -132.36 -135.95 . . 0 "[ . 1 . 2]"
72 . 1 32 GLN N 1 32 GLN CA 1 32 GLN CB 1 32 GLN CG -90.00 90.00 -61.18 -52.20 -58.76 . . 0 "[ . 1 . 2]"
73 . 1 32 GLN C 1 33 HIS N 1 33 HIS CA 1 33 HIS C -132.00 -72.00 -124.31 -126.94 -129.52 0.64 18 0 "[ . 1 . 2]"
74 . 1 33 HIS N 1 33 HIS CA 1 33 HIS C 1 34 PRO N 89.00 169.00 159.84 159.20 157.72 . . 0 "[ . 1 . 2]"
75 . 1 33 HIS N 1 33 HIS CA 1 33 HIS CB 1 33 HIS CG 30.00 90.00 51.94 41.88 56.28 . . 0 "[ . 1 . 2]"
76 . 1 34 PRO N 1 34 PRO CA 1 34 PRO C 1 35 LYS N 103.00 -177.00 176.99 168.12 -176.62 0.38 1 0 "[ . 1 . 2]"
77 . 1 34 PRO C 1 35 LYS N 1 35 LYS CA 1 35 LYS C -88.00 -28.00 -62.89 -59.86 -62.35 . . 0 "[ . 1 . 2]"
78 . 1 35 LYS N 1 35 LYS CA 1 35 LYS C 1 36 GLN N -72.00 8.00 -28.47 -29.85 -31.03 . . 0 "[ . 1 . 2]"
79 . 1 35 LYS C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -108.00 -48.00 -59.39 -73.20 -51.39 . . 0 "[ . 1 . 2]"
80 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 CYS N -55.00 25.00 -36.07 -36.27 -36.68 . . 0 "[ . 1 . 2]"
81 . 1 36 GLN C 1 37 CYS N 1 37 CYS CA 1 37 CYS C -179.00 -1.00 -95.04 -122.01 -77.75 . . 0 "[ . 1 . 2]"
82 . 1 37 CYS N 1 37 CYS CA 1 37 CYS CB 1 37 CYS SG -90.00 -30.00 -72.80 -69.79 -71.92 . . 0 "[ . 1 . 2]"
83 . 1 37 CYS C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -94.00 -34.00 -72.04 -78.74 -50.78 . . 0 "[ . 1 . 2]"
84 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 TYR N -80.00 0.00 -24.85 -22.08 -23.71 . . 0 "[ . 1 . 2]"
85 . 1 38 ALA C 1 39 TYR N 1 39 TYR CA 1 39 TYR C -91.00 -31.00 -71.69 -91.16 -48.48 0.16 15 0 "[ . 1 . 2]"
86 . 1 39 TYR N 1 39 TYR CA 1 39 TYR C 1 40 PHE N -81.00 -1.00 -10.65 -5.10 -10.00 0.62 9 0 "[ . 1 . 2]"
87 . 1 39 TYR C 1 40 PHE N 1 40 PHE CA 1 40 PHE C -179.00 -1.00 -93.56 -104.94 -58.27 . . 0 "[ . 1 . 2]"
88 . 1 40 PHE N 1 40 PHE CA 1 40 PHE CB 1 40 PHE CG 150.00 -150.00 -149.19 -149.56 -149.67 1.59 13 0 "[ . 1 . 2]"
89 . 1 40 PHE C 1 41 CYS N 1 41 CYS CA 1 41 CYS C -179.00 -1.00 -131.40 -148.70 -115.79 . . 0 "[ . 1 . 2]"
90 . 1 41 CYS N 1 41 CYS CA 1 41 CYS CB 1 41 CYS SG -90.00 90.00 -56.15 -58.62 -63.59 . . 0 "[ . 1 . 2]"
91 . 1 41 CYS N 1 41 CYS CA 1 41 CYS CB 1 41 CYS SG 30.00 -30.00 -56.15 -58.62 -63.59 2.11 18 0 "[ . 1 . 2]"
92 . 1 41 CYS C 1 42 GLU N 1 42 GLU CA 1 42 GLU C -166.00 -106.00 -153.88 -160.88 -164.22 0.47 13 0 "[ . 1 . 2]"
93 . 1 42 GLU N 1 42 GLU CA 1 42 GLU C 1 43 ASN N 107.00 -173.00 -175.68 -173.00 -173.37 1.22 11 0 "[ . 1 . 2]"
94 . 1 42 GLU C 1 43 ASN N 1 43 ASN CA 1 43 ASN C -179.00 -1.00 -51.62 -51.97 -53.74 0.60 16 0 "[ . 1 . 2]"
95 . 1 43 ASN C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -179.00 -1.00 -100.01 -179.14 -57.89 0.14 4 0 "[ . 1 . 2]"
96 . 1 44 LYS N 1 44 LYS CA 1 44 LYS CB 1 44 LYS CG -90.00 90.00 6.72 -49.40 -78.71 2.51 15 0 "[ . 1 . 2]"
97 . 1 44 LYS C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -179.00 -1.00 -142.12 -179.08 -65.13 0.08 8 0 "[ . 1 . 2]"
98 . 1 45 LEU C 1 46 ARG N 1 46 ARG CA 1 46 ARG C -179.00 -1.00 -118.21 -170.42 -59.04 . . 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 90
_TA_constraint_stats_list.Viol_count 0
_TA_constraint_stats_list.Viol_total 0.00
_TA_constraint_stats_list.Viol_max 0.00
_TA_constraint_stats_list.Viol_rms 0.00
_TA_constraint_stats_list.Viol_average_all_restraints 0.00
_TA_constraint_stats_list.Viol_average_violations_only 0.00
_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 . 1 1 GLY CA 1 1 GLY C 1 2 SER N 1 2 SER CA 170.00 -170.00 -179.99 -179.96 -179.97 . . 0 "[ . 1 . 2]"
2 . 1 1 GLY O 1 1 GLY C 1 2 SER N 1 2 SER H 170.00 -170.00 -180.00 -179.98 -180.00 . . 0 "[ . 1 . 2]"
3 . 1 2 SER CA 1 2 SER C 1 3 PRO N 1 3 PRO CA 170.00 -170.00 -179.93 -179.77 -179.87 . . 0 "[ . 1 . 2]"
4 . 1 2 SER O 1 2 SER C 1 3 PRO N 1 3 PRO CD 170.00 -170.00 179.92 179.61 -179.91 . . 0 "[ . 1 . 2]"
5 . 1 3 PRO CA 1 3 PRO C 1 4 TRP N 1 4 TRP CA 170.00 -170.00 179.97 179.74 -179.69 . . 0 "[ . 1 . 2]"
6 . 1 3 PRO O 1 3 PRO C 1 4 TRP N 1 4 TRP H 170.00 -170.00 -179.96 -179.78 -179.87 . . 0 "[ . 1 . 2]"
7 . 1 4 TRP CA 1 4 TRP C 1 5 SER N 1 5 SER CA 170.00 -170.00 -179.94 179.80 -179.49 . . 0 "[ . 1 . 2]"
8 . 1 4 TRP O 1 4 TRP C 1 5 SER N 1 5 SER H 170.00 -170.00 179.94 179.87 179.78 . . 0 "[ . 1 . 2]"
9 . 1 5 SER CA 1 5 SER C 1 6 LEU N 1 6 LEU CA 170.00 -170.00 -179.99 179.75 -179.69 . . 0 "[ . 1 . 2]"
10 . 1 5 SER O 1 5 SER C 1 6 LEU N 1 6 LEU H 170.00 -170.00 179.98 179.80 179.61 . . 0 "[ . 1 . 2]"
11 . 1 6 LEU CA 1 6 LEU C 1 7 SER N 1 7 SER CA 170.00 -170.00 -179.97 179.95 179.90 . . 0 "[ . 1 . 2]"
12 . 1 6 LEU O 1 6 LEU C 1 7 SER N 1 7 SER H 170.00 -170.00 179.95 179.84 -179.90 . . 0 "[ . 1 . 2]"
13 . 1 7 SER CA 1 7 SER C 1 8 CYS N 1 8 CYS CA 170.00 -170.00 -179.98 179.98 179.98 . . 0 "[ . 1 . 2]"
14 . 1 7 SER O 1 7 SER C 1 8 CYS N 1 8 CYS H 170.00 -170.00 -179.98 179.85 -179.82 . . 0 "[ . 1 . 2]"
15 . 1 8 CYS CA 1 8 CYS C 1 9 ARG N 1 9 ARG CA 170.00 -170.00 180.00 179.70 -179.83 . . 0 "[ . 1 . 2]"
16 . 1 8 CYS O 1 8 CYS C 1 9 ARG N 1 9 ARG H 170.00 -170.00 179.97 -179.97 180.00 . . 0 "[ . 1 . 2]"
17 . 1 9 ARG CA 1 9 ARG C 1 10 LYS N 1 10 LYS CA 170.00 -170.00 179.97 179.84 179.53 . . 0 "[ . 1 . 2]"
18 . 1 9 ARG O 1 9 ARG C 1 10 LYS N 1 10 LYS H 170.00 -170.00 -179.98 179.88 -179.56 . . 0 "[ . 1 . 2]"
19 . 1 10 LYS CA 1 10 LYS C 1 11 GLU N 1 11 GLU CA 170.00 -170.00 -179.97 -179.99 179.98 . . 0 "[ . 1 . 2]"
20 . 1 10 LYS O 1 10 LYS C 1 11 GLU N 1 11 GLU H 170.00 -170.00 179.94 179.72 -179.87 . . 0 "[ . 1 . 2]"
21 . 1 11 GLU CA 1 11 GLU C 1 12 GLN N 1 12 GLN CA 170.00 -170.00 -179.97 -179.96 -179.97 . . 0 "[ . 1 . 2]"
22 . 1 11 GLU O 1 11 GLU C 1 12 GLN N 1 12 GLN H 170.00 -170.00 179.97 179.76 -179.86 . . 0 "[ . 1 . 2]"
23 . 1 12 GLN CA 1 12 GLN C 1 13 GLY N 1 13 GLY CA 170.00 -170.00 -179.98 179.86 -179.68 . . 0 "[ . 1 . 2]"
24 . 1 12 GLN O 1 12 GLN C 1 13 GLY N 1 13 GLY H 170.00 -170.00 179.94 -180.00 179.98 . . 0 "[ . 1 . 2]"
25 . 1 13 GLY CA 1 13 GLY C 1 14 LYS N 1 14 LYS CA 170.00 -170.00 179.97 179.79 -179.88 . . 0 "[ . 1 . 2]"
26 . 1 13 GLY O 1 13 GLY C 1 14 LYS N 1 14 LYS H 170.00 -170.00 -179.96 179.95 179.93 . . 0 "[ . 1 . 2]"
27 . 1 14 LYS CA 1 14 LYS C 1 15 PHE N 1 15 PHE CA 170.00 -170.00 179.96 179.93 179.89 . . 0 "[ . 1 . 2]"
28 . 1 14 LYS O 1 14 LYS C 1 15 PHE N 1 15 PHE H 170.00 -170.00 -179.94 179.92 -179.67 . . 0 "[ . 1 . 2]"
29 . 1 15 PHE CA 1 15 PHE C 1 16 TYR N 1 16 TYR CA 170.00 -170.00 179.86 179.54 -179.85 . . 0 "[ . 1 . 2]"
30 . 1 15 PHE O 1 15 PHE C 1 16 TYR N 1 16 TYR H 170.00 -170.00 -179.84 -179.88 -179.91 . . 0 "[ . 1 . 2]"
31 . 1 16 TYR CA 1 16 TYR C 1 17 ASP N 1 17 ASP CA 170.00 -170.00 179.82 179.97 179.93 . . 0 "[ . 1 . 2]"
32 . 1 16 TYR O 1 16 TYR C 1 17 ASP N 1 17 ASP H 170.00 -170.00 -179.81 179.95 -179.50 . . 0 "[ . 1 . 2]"
33 . 1 17 ASP CA 1 17 ASP C 1 18 HIS N 1 18 HIS CA 170.00 -170.00 -179.39 -179.39 -179.40 . . 0 "[ . 1 . 2]"
34 . 1 17 ASP O 1 17 ASP C 1 18 HIS N 1 18 HIS H 170.00 -170.00 179.38 178.96 179.69 . . 0 "[ . 1 . 2]"
35 . 1 18 HIS CA 1 18 HIS C 1 19 LEU N 1 19 LEU CA 170.00 -170.00 -179.74 179.97 -179.28 . . 0 "[ . 1 . 2]"
36 . 1 18 HIS O 1 18 HIS C 1 19 LEU N 1 19 LEU H 170.00 -170.00 179.76 179.59 179.50 . . 0 "[ . 1 . 2]"
37 . 1 19 LEU CA 1 19 LEU C 1 20 LEU N 1 20 LEU CA 170.00 -170.00 179.87 179.66 -179.84 . . 0 "[ . 1 . 2]"
38 . 1 19 LEU O 1 19 LEU C 1 20 LEU N 1 20 LEU H 170.00 -170.00 -179.91 -179.88 -179.90 . . 0 "[ . 1 . 2]"
39 . 1 20 LEU CA 1 20 LEU C 1 21 ARG N 1 21 ARG CA 170.00 -170.00 -179.70 -179.96 -179.35 . . 0 "[ . 1 . 2]"
40 . 1 20 LEU O 1 20 LEU C 1 21 ARG N 1 21 ARG H 170.00 -170.00 179.60 179.51 179.47 . . 0 "[ . 1 . 2]"
41 . 1 21 ARG CA 1 21 ARG C 1 22 ASP N 1 22 ASP CA 170.00 -170.00 179.83 179.69 -180.00 . . 0 "[ . 1 . 2]"
42 . 1 21 ARG O 1 21 ARG C 1 22 ASP N 1 22 ASP H 170.00 -170.00 -179.88 179.97 -179.72 . . 0 "[ . 1 . 2]"
43 . 1 22 ASP CA 1 22 ASP C 1 23 CYS N 1 23 CYS CA 170.00 -170.00 179.69 179.66 179.64 . . 0 "[ . 1 . 2]"
44 . 1 22 ASP O 1 22 ASP C 1 23 CYS N 1 23 CYS H 170.00 -170.00 -179.70 -179.95 -179.55 . . 0 "[ . 1 . 2]"
45 . 1 23 CYS CA 1 23 CYS C 1 24 ILE N 1 24 ILE CA 170.00 -170.00 -179.49 -179.77 -179.25 . . 0 "[ . 1 . 2]"
46 . 1 23 CYS O 1 23 CYS C 1 24 ILE N 1 24 ILE H 170.00 -170.00 179.52 179.47 179.44 . . 0 "[ . 1 . 2]"
47 . 1 24 ILE CA 1 24 ILE C 1 25 SER N 1 25 SER CA 170.00 -170.00 179.93 179.60 -179.84 . . 0 "[ . 1 . 2]"
48 . 1 24 ILE O 1 24 ILE C 1 25 SER N 1 25 SER H 170.00 -170.00 -179.95 -179.87 -179.89 . . 0 "[ . 1 . 2]"
49 . 1 25 SER CA 1 25 SER C 1 26 CYS N 1 26 CYS CA 170.00 -170.00 -179.99 179.89 -179.83 . . 0 "[ . 1 . 2]"
50 . 1 25 SER O 1 25 SER C 1 26 CYS N 1 26 CYS H 170.00 -170.00 179.97 179.80 -179.84 . . 0 "[ . 1 . 2]"
51 . 1 26 CYS CA 1 26 CYS C 1 27 ALA N 1 27 ALA CA 170.00 -170.00 -179.85 -179.92 -179.95 . . 0 "[ . 1 . 2]"
52 . 1 26 CYS O 1 26 CYS C 1 27 ALA N 1 27 ALA H 170.00 -170.00 179.84 179.63 -179.83 . . 0 "[ . 1 . 2]"
53 . 1 27 ALA CA 1 27 ALA C 1 28 SER N 1 28 SER CA 170.00 -170.00 -179.77 -179.69 -179.77 . . 0 "[ . 1 . 2]"
54 . 1 27 ALA O 1 27 ALA C 1 28 SER N 1 28 SER H 170.00 -170.00 179.78 179.51 -179.91 . . 0 "[ . 1 . 2]"
55 . 1 28 SER CA 1 28 SER C 1 29 ILE N 1 29 ILE CA 170.00 -170.00 -179.78 -179.72 -179.74 . . 0 "[ . 1 . 2]"
56 . 1 28 SER O 1 28 SER C 1 29 ILE N 1 29 ILE H 170.00 -170.00 179.74 179.65 179.64 . . 0 "[ . 1 . 2]"
57 . 1 29 ILE CA 1 29 ILE C 1 30 CYS N 1 30 CYS CA 170.00 -170.00 179.73 179.56 180.00 . . 0 "[ . 1 . 2]"
58 . 1 29 ILE O 1 29 ILE C 1 30 CYS N 1 30 CYS H 170.00 -170.00 -179.73 -179.75 -179.79 . . 0 "[ . 1 . 2]"
59 . 1 30 CYS CA 1 30 CYS C 1 31 GLY N 1 31 GLY CA 170.00 -170.00 -179.81 -179.69 -179.72 . . 0 "[ . 1 . 2]"
60 . 1 30 CYS O 1 30 CYS C 1 31 GLY N 1 31 GLY H 170.00 -170.00 179.81 179.44 -179.36 . . 0 "[ . 1 . 2]"
61 . 1 31 GLY CA 1 31 GLY C 1 32 GLN N 1 32 GLN CA 170.00 -170.00 179.90 179.61 -179.48 . . 0 "[ . 1 . 2]"
62 . 1 31 GLY O 1 31 GLY C 1 32 GLN N 1 32 GLN H 170.00 -170.00 -179.91 -179.62 -179.69 . . 0 "[ . 1 . 2]"
63 . 1 32 GLN CA 1 32 GLN C 1 33 HIS N 1 33 HIS CA 170.00 -170.00 -179.76 -179.55 -179.63 . . 0 "[ . 1 . 2]"
64 . 1 32 GLN O 1 32 GLN C 1 33 HIS N 1 33 HIS H 170.00 -170.00 179.74 179.41 -179.92 . . 0 "[ . 1 . 2]"
65 . 1 33 HIS CA 1 33 HIS C 1 34 PRO N 1 34 PRO CA 170.00 -170.00 179.79 179.80 179.77 . . 0 "[ . 1 . 2]"
66 . 1 33 HIS O 1 33 HIS C 1 34 PRO N 1 34 PRO CD 170.00 -170.00 -179.89 179.88 -179.67 . . 0 "[ . 1 . 2]"
67 . 1 34 PRO CA 1 34 PRO C 1 35 LYS N 1 35 LYS CA 170.00 -170.00 -179.92 179.79 -179.65 . . 0 "[ . 1 . 2]"
68 . 1 34 PRO O 1 34 PRO C 1 35 LYS N 1 35 LYS H 170.00 -170.00 179.92 179.77 179.65 . . 0 "[ . 1 . 2]"
69 . 1 35 LYS CA 1 35 LYS C 1 36 GLN N 1 36 GLN CA 170.00 -170.00 -179.83 -179.73 -179.74 . . 0 "[ . 1 . 2]"
70 . 1 35 LYS O 1 35 LYS C 1 36 GLN N 1 36 GLN H 170.00 -170.00 179.80 179.71 179.68 . . 0 "[ . 1 . 2]"
71 . 1 36 GLN CA 1 36 GLN C 1 37 CYS N 1 37 CYS CA 170.00 -170.00 179.92 -179.92 -179.98 . . 0 "[ . 1 . 2]"
72 . 1 36 GLN O 1 36 GLN C 1 37 CYS N 1 37 CYS H 170.00 -170.00 -179.91 179.85 -179.64 . . 0 "[ . 1 . 2]"
73 . 1 37 CYS CA 1 37 CYS C 1 38 ALA N 1 38 ALA CA 170.00 -170.00 -179.87 179.71 -179.66 . . 0 "[ . 1 . 2]"
74 . 1 37 CYS O 1 37 CYS C 1 38 ALA N 1 38 ALA H 170.00 -170.00 179.90 179.71 -179.72 . . 0 "[ . 1 . 2]"
75 . 1 38 ALA CA 1 38 ALA C 1 39 TYR N 1 39 TYR CA 170.00 -170.00 -179.84 179.79 -179.45 . . 0 "[ . 1 . 2]"
76 . 1 38 ALA O 1 38 ALA C 1 39 TYR N 1 39 TYR H 170.00 -170.00 179.81 179.78 179.75 . . 0 "[ . 1 . 2]"
77 . 1 39 TYR CA 1 39 TYR C 1 40 PHE N 1 40 PHE CA 170.00 -170.00 -179.62 -179.73 -179.76 . . 0 "[ . 1 . 2]"
78 . 1 39 TYR O 1 39 TYR C 1 40 PHE N 1 40 PHE H 170.00 -170.00 179.57 179.69 179.67 . . 0 "[ . 1 . 2]"
79 . 1 40 PHE CA 1 40 PHE C 1 41 CYS N 1 41 CYS CA 170.00 -170.00 -180.00 179.62 -178.97 . . 0 "[ . 1 . 2]"
80 . 1 40 PHE O 1 40 PHE C 1 41 CYS N 1 41 CYS H 170.00 -170.00 -179.95 -179.75 -179.90 . . 0 "[ . 1 . 2]"
81 . 1 41 CYS CA 1 41 CYS C 1 42 GLU N 1 42 GLU CA 170.00 -170.00 -179.91 -179.93 179.95 . . 0 "[ . 1 . 2]"
82 . 1 41 CYS O 1 41 CYS C 1 42 GLU N 1 42 GLU H 170.00 -170.00 179.92 179.39 -179.47 . . 0 "[ . 1 . 2]"
83 . 1 42 GLU CA 1 42 GLU C 1 43 ASN N 1 43 ASN CA 170.00 -170.00 -179.88 179.78 -179.54 . . 0 "[ . 1 . 2]"
84 . 1 42 GLU O 1 42 GLU C 1 43 ASN N 1 43 ASN H 170.00 -170.00 179.84 179.54 -179.63 . . 0 "[ . 1 . 2]"
85 . 1 43 ASN CA 1 43 ASN C 1 44 LYS N 1 44 LYS CA 170.00 -170.00 -179.98 179.35 -179.73 . . 0 "[ . 1 . 2]"
86 . 1 43 ASN O 1 43 ASN C 1 44 LYS N 1 44 LYS H 170.00 -170.00 179.99 179.96 179.90 . . 0 "[ . 1 . 2]"
87 . 1 44 LYS CA 1 44 LYS C 1 45 LEU N 1 45 LEU CA 170.00 -170.00 -179.96 179.84 -179.69 . . 0 "[ . 1 . 2]"
88 . 1 44 LYS O 1 44 LYS C 1 45 LEU N 1 45 LEU H 170.00 -170.00 179.96 -179.99 179.98 . . 0 "[ . 1 . 2]"
89 . 1 45 LEU CA 1 45 LEU C 1 46 ARG N 1 46 ARG CA 170.00 -170.00 180.00 -179.97 -179.98 . . 0 "[ . 1 . 2]"
90 . 1 45 LEU O 1 45 LEU C 1 46 ARG N 1 46 ARG H 170.00 -170.00 -179.99 179.96 179.95 . . 0 "[ . 1 . 2]"
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