NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
493297 |
2oq3   |
15126 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2oq3
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 114
_TA_constraint_stats_list.Viol_count 48
_TA_constraint_stats_list.Viol_total 1592.11
_TA_constraint_stats_list.Viol_max 10.25
_TA_constraint_stats_list.Viol_rms 0.39
_TA_constraint_stats_list.Viol_average_all_restraints 0.03
_TA_constraint_stats_list.Viol_average_violations_only 1.58
_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 25 GLN C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -98.90 -38.90 -62.88 -62.64 -63.50 . . 0 "[ . 1 . 2 ]"
2 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 ALA N -64.60 -4.60 -33.49 -36.55 -29.06 . . 0 "[ . 1 . 2 ]"
3 . 1 26 GLU C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -95.00 -35.00 -65.19 -68.23 -62.63 . . 0 "[ . 1 . 2 ]"
4 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 ILE N -74.00 -14.00 -35.11 -32.67 -34.07 . . 0 "[ . 1 . 2 ]"
5 . 1 27 ALA C 1 28 ILE N 1 28 ILE CA 1 28 ILE C -96.90 -36.90 -67.47 -71.27 -64.51 . . 0 "[ . 1 . 2 ]"
6 . 1 28 ILE N 1 28 ILE CA 1 28 ILE C 1 29 ASP N -71.30 -11.30 -46.53 -48.53 -43.52 . . 0 "[ . 1 . 2 ]"
7 . 1 28 ILE C 1 29 ASP N 1 29 ASP CA 1 29 ASP C -96.50 -36.50 -56.88 -57.46 -57.92 . . 0 "[ . 1 . 2 ]"
8 . 1 29 ASP N 1 29 ASP CA 1 29 ASP C 1 30 PHE N -67.00 -7.00 -46.04 -46.21 -46.56 . . 0 "[ . 1 . 2 ]"
9 . 1 29 ASP C 1 30 PHE N 1 30 PHE CA 1 30 PHE C -92.80 -32.80 -65.29 -70.31 -59.70 . . 0 "[ . 1 . 2 ]"
10 . 1 30 PHE N 1 30 PHE CA 1 30 PHE C 1 31 SER N -71.70 -11.70 -28.84 -17.46 -20.89 . . 0 "[ . 1 . 2 ]"
11 . 1 33 VAL C 1 34 SER N 1 34 SER CA 1 34 SER C -95.20 -35.20 -65.18 -63.15 -64.43 . . 0 "[ . 1 . 2 ]"
12 . 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 LEU N -66.70 -6.70 -28.48 -22.78 -24.48 . . 0 "[ . 1 . 2 ]"
13 . 1 34 SER C 1 35 LEU N 1 35 LEU CA 1 35 LEU C -94.90 -34.90 -80.22 -91.36 -65.05 . . 0 "[ . 1 . 2 ]"
14 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 LEU N -72.30 -12.30 -41.70 -44.44 -36.67 . . 0 "[ . 1 . 2 ]"
15 . 1 35 LEU C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -96.10 -36.10 -57.38 -57.60 -58.46 . . 0 "[ . 1 . 2 ]"
16 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 ASP N -68.50 -8.50 -43.79 -51.02 -40.17 . . 0 "[ . 1 . 2 ]"
17 . 1 36 LEU C 1 37 ASP N 1 37 ASP CA 1 37 ASP C -96.90 -36.90 -63.86 -68.11 -55.58 . . 0 "[ . 1 . 2 ]"
18 . 1 37 ASP N 1 37 ASP CA 1 37 ASP C 1 38 LYS N -58.00 2.00 -30.71 -24.26 -25.44 . . 0 "[ . 1 . 2 ]"
19 . 1 42 SER C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -91.50 -31.50 -60.68 -67.28 -57.51 . . 0 "[ . 1 . 2 ]"
20 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 ASN N -64.10 -4.10 -32.63 -33.72 -35.47 . . 0 "[ . 1 . 2 ]"
21 . 1 43 GLU C 1 44 ASN N 1 44 ASN CA 1 44 ASN C -95.40 -35.40 -59.59 -58.23 -58.90 . . 0 "[ . 1 . 2 ]"
22 . 1 44 ASN N 1 44 ASN CA 1 44 ASN C 1 45 TYR N -70.50 -10.50 -32.00 -40.25 -21.33 . . 0 "[ . 1 . 2 ]"
23 . 1 44 ASN C 1 45 TYR N 1 45 TYR CA 1 45 TYR C -96.20 -36.20 -60.16 -65.25 -54.28 . . 0 "[ . 1 . 2 ]"
24 . 1 45 TYR N 1 45 TYR CA 1 45 TYR C 1 46 ILE N -74.70 -14.70 -44.81 -44.47 -45.06 . . 0 "[ . 1 . 2 ]"
25 . 1 45 TYR C 1 46 ILE N 1 46 ILE CA 1 46 ILE C -91.70 -31.70 -59.57 -61.83 -63.73 . . 0 "[ . 1 . 2 ]"
26 . 1 46 ILE N 1 46 ILE CA 1 46 ILE C 1 47 GLN N -74.40 -14.40 -49.99 -52.09 -47.31 . . 0 "[ . 1 . 2 ]"
27 . 1 46 ILE C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -94.10 -34.10 -68.53 -71.43 -64.73 . . 0 "[ . 1 . 2 ]"
28 . 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 ALA N -72.10 -12.10 -26.58 -29.17 -31.02 . . 0 "[ . 1 . 2 ]"
29 . 1 47 GLN C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -91.80 -31.80 -59.37 -64.20 -55.71 . . 0 "[ . 1 . 2 ]"
30 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 ILE N -72.20 -12.20 -42.38 -45.00 -35.35 . . 0 "[ . 1 . 2 ]"
31 . 1 48 ALA C 1 49 ILE N 1 49 ILE CA 1 49 ILE C -98.50 -38.50 -68.78 -76.12 -63.99 . . 0 "[ . 1 . 2 ]"
32 . 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 LYS N -69.10 -9.10 -47.67 -45.65 -46.27 . . 0 "[ . 1 . 2 ]"
33 . 1 49 ILE C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -96.80 -36.80 -60.31 -66.64 -57.86 . . 0 "[ . 1 . 2 ]"
34 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 ASP N -69.30 -9.30 -43.29 -47.69 -49.31 . . 0 "[ . 1 . 2 ]"
35 . 1 50 LYS C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -97.00 -37.00 -63.41 -67.41 -59.39 . . 0 "[ . 1 . 2 ]"
36 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 SER N -66.20 -6.20 -43.66 -39.87 -40.85 . . 0 "[ . 1 . 2 ]"
37 . 1 51 ASP C 1 52 SER N 1 52 SER CA 1 52 SER C -95.90 -35.90 -63.37 -63.31 -63.98 . . 0 "[ . 1 . 2 ]"
38 . 1 52 SER N 1 52 SER CA 1 52 SER C 1 53 THR N -69.10 -9.10 -39.83 -36.86 -38.02 . . 0 "[ . 1 . 2 ]"
39 . 1 52 SER C 1 53 THR N 1 53 THR CA 1 53 THR C -99.80 -39.80 -61.57 -67.83 -55.74 . . 0 "[ . 1 . 2 ]"
40 . 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 ILE N -70.30 -10.30 -40.99 -42.59 -43.49 . . 0 "[ . 1 . 2 ]"
41 . 1 53 THR C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -96.80 -36.80 -67.39 -64.65 -65.11 . . 0 "[ . 1 . 2 ]"
42 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 ASN N -74.80 -14.80 -43.96 -49.01 -40.27 . . 0 "[ . 1 . 2 ]"
43 . 1 65 GLY C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -150.20 -90.20 -129.50 -129.86 -129.95 . . 0 "[ . 1 . 2 ]"
44 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 ALA N 98.80 158.80 123.24 111.08 133.95 . . 0 "[ . 1 . 2 ]"
45 . 1 66 VAL C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -166.20 -106.20 -123.61 -128.15 -131.67 . . 0 "[ . 1 . 2 ]"
46 . 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 MET N 106.70 166.70 167.26 169.46 168.80 4.40 11 0 "[ . 1 . 2 ]"
47 . 1 81 GLY C 1 82 MET N 1 82 MET CA 1 82 MET C -165.90 -105.90 -146.32 -151.42 -140.72 . . 0 "[ . 1 . 2 ]"
48 . 1 82 MET N 1 82 MET CA 1 82 MET C 1 83 SER N 127.40 -172.60 169.83 169.22 168.47 . . 0 "[ . 1 . 2 ]"
49 . 1 82 MET C 1 83 SER N 1 83 SER CA 1 83 SER C -163.40 -103.40 -146.87 -157.27 -136.40 . . 0 "[ . 1 . 2 ]"
50 . 1 83 SER N 1 83 SER CA 1 83 SER C 1 84 LEU N 112.90 172.90 165.88 158.55 173.34 0.44 10 0 "[ . 1 . 2 ]"
51 . 1 83 SER C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -153.60 -93.60 -144.08 -148.77 -151.45 0.38 3 0 "[ . 1 . 2 ]"
52 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 THR N 83.50 143.50 114.10 122.45 121.27 0.19 4 0 "[ . 1 . 2 ]"
53 . 1 84 LEU C 1 85 THR N 1 85 THR CA 1 85 THR C -145.10 -85.10 -124.06 -140.78 -86.51 . . 0 "[ . 1 . 2 ]"
54 . 1 85 THR N 1 85 THR CA 1 85 THR C 1 86 LEU N 97.40 157.40 138.44 138.53 137.19 . . 0 "[ . 1 . 2 ]"
55 . 1 85 THR C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -154.00 -94.00 -130.91 -141.81 -117.56 . . 0 "[ . 1 . 2 ]"
56 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 LEU N 110.40 170.40 137.67 116.90 146.35 . . 0 "[ . 1 . 2 ]"
57 . 1 101 LYS C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -150.40 -90.40 -134.59 -147.79 -115.51 . . 0 "[ . 1 . 2 ]"
58 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 LEU N 95.20 155.20 134.12 128.44 126.51 . . 0 "[ . 1 . 2 ]"
59 . 1 102 LEU C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -140.80 -80.80 -136.37 -140.70 -129.37 . . 0 "[ . 1 . 2 ]"
60 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 ILE N 90.40 150.40 120.82 95.50 139.27 . . 0 "[ . 1 . 2 ]"
61 . 1 106 LEU C 1 107 SER N 1 107 SER CA 1 107 SER C -142.30 -82.30 -137.13 -132.07 -135.68 2.20 21 0 "[ . 1 . 2 ]"
62 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 ALA N 87.40 147.40 146.25 141.95 155.45 8.05 1 2 "[+ . - . 2 ]"
63 . 1 111 ALA C 1 112 ASP N 1 112 ASP CA 1 112 ASP C -94.80 -34.80 -74.84 -78.21 -70.52 . . 0 "[ . 1 . 2 ]"
64 . 1 112 ASP N 1 112 ASP CA 1 112 ASP C 1 113 SER N -66.70 -6.70 -31.72 -32.85 -38.55 . . 0 "[ . 1 . 2 ]"
65 . 1 112 ASP C 1 113 SER N 1 113 SER CA 1 113 SER C -95.60 -35.60 -63.90 -63.53 -63.55 . . 0 "[ . 1 . 2 ]"
66 . 1 113 SER N 1 113 SER CA 1 113 SER C 1 114 HIS N -71.00 -11.00 -39.20 -37.99 -38.24 . . 0 "[ . 1 . 2 ]"
67 . 1 113 SER C 1 114 HIS N 1 114 HIS CA 1 114 HIS C -98.20 -38.20 -59.20 -59.31 -59.45 . . 0 "[ . 1 . 2 ]"
68 . 1 114 HIS N 1 114 HIS CA 1 114 HIS C 1 115 ILE N -74.40 -14.40 -48.06 -47.70 -48.34 . . 0 "[ . 1 . 2 ]"
69 . 1 114 HIS C 1 115 ILE N 1 115 ILE CA 1 115 ILE C -97.70 -37.70 -56.71 -58.38 -58.71 . . 0 "[ . 1 . 2 ]"
70 . 1 115 ILE N 1 115 ILE CA 1 115 ILE C 1 116 GLY N -67.30 -7.30 -52.15 -55.57 -45.56 . . 0 "[ . 1 . 2 ]"
71 . 1 115 ILE C 1 116 GLY N 1 116 GLY CA 1 116 GLY C -97.00 -37.00 -60.54 -59.03 -59.06 . . 0 "[ . 1 . 2 ]"
72 . 1 116 GLY N 1 116 GLY CA 1 116 GLY C 1 117 ALA N -67.50 -7.50 -39.74 -42.79 -46.64 . . 0 "[ . 1 . 2 ]"
73 . 1 116 GLY C 1 117 ALA N 1 117 ALA CA 1 117 ALA C -96.50 -36.50 -67.75 -72.42 -62.08 . . 0 "[ . 1 . 2 ]"
74 . 1 117 ALA N 1 117 ALA CA 1 117 ALA C 1 118 ILE N -70.70 -10.70 -49.16 -54.97 -40.47 . . 0 "[ . 1 . 2 ]"
75 . 1 117 ALA C 1 118 ILE N 1 118 ILE CA 1 118 ILE C -96.00 -36.00 -54.87 -53.05 -54.39 . . 0 "[ . 1 . 2 ]"
76 . 1 118 ILE N 1 118 ILE CA 1 118 ILE C 1 119 GLN N -71.70 -11.70 -46.28 -48.24 -51.95 . . 0 "[ . 1 . 2 ]"
77 . 1 118 ILE C 1 119 GLN N 1 119 GLN CA 1 119 GLN C -96.00 -36.00 -68.23 -71.28 -59.14 . . 0 "[ . 1 . 2 ]"
78 . 1 119 GLN N 1 119 GLN CA 1 119 GLN C 1 120 ALA N -70.10 -10.10 -12.72 -18.01 -33.87 10.25 10 1 "[ . + . 2 ]"
79 . 1 119 GLN C 1 120 ALA N 1 120 ALA CA 1 120 ALA C -92.10 -32.10 -88.37 -100.30 -64.92 8.20 10 1 "[ . + . 2 ]"
80 . 1 120 ALA N 1 120 ALA CA 1 120 ALA C 1 121 LEU N -72.20 -12.20 -46.98 -50.63 -54.76 . . 0 "[ . 1 . 2 ]"
81 . 1 120 ALA C 1 121 LEU N 1 121 LEU CA 1 121 LEU C -91.70 -31.60 -70.01 -76.05 -63.77 . . 0 "[ . 1 . 2 ]"
82 . 1 121 LEU N 1 121 LEU CA 1 121 LEU C 1 122 SER N -67.90 -7.90 -26.20 -32.99 -17.41 . . 0 "[ . 1 . 2 ]"
83 . 1 121 LEU C 1 122 SER N 1 122 SER CA 1 122 SER C -96.00 -36.00 -60.59 -66.11 -51.17 . . 0 "[ . 1 . 2 ]"
84 . 1 122 SER N 1 122 SER CA 1 122 SER C 1 123 GLU N -66.20 -6.20 -23.10 -24.43 -25.68 . . 0 "[ . 1 . 2 ]"
85 . 1 122 SER C 1 123 GLU N 1 123 GLU CA 1 123 GLU C -94.60 -34.60 -67.96 -77.24 -64.16 . . 0 "[ . 1 . 2 ]"
86 . 1 123 GLU N 1 123 GLU CA 1 123 GLU C 1 124 LEU N -65.10 -5.10 -19.24 -28.18 -11.15 . . 0 "[ . 1 . 2 ]"
87 . 1 127 GLU C 1 128 GLU N 1 128 GLU CA 1 128 GLU C -91.50 -31.50 -57.20 -61.89 -55.10 . . 0 "[ . 1 . 2 ]"
88 . 1 128 GLU N 1 128 GLU CA 1 128 GLU C 1 129 GLU N -59.30 0.70 -27.26 -27.80 -28.11 . . 0 "[ . 1 . 2 ]"
89 . 1 128 GLU C 1 129 GLU N 1 129 GLU CA 1 129 GLU C -92.70 -32.70 -63.85 -63.13 -63.34 . . 0 "[ . 1 . 2 ]"
90 . 1 129 GLU N 1 129 GLU CA 1 129 GLU C 1 130 ILE N -70.20 -10.20 -45.20 -49.59 -39.17 . . 0 "[ . 1 . 2 ]"
91 . 1 129 GLU C 1 130 ILE N 1 130 ILE CA 1 130 ILE C -93.90 -33.90 -68.89 -72.15 -74.30 . . 0 "[ . 1 . 2 ]"
92 . 1 130 ILE N 1 130 ILE CA 1 130 ILE C 1 131 LEU N -71.00 -11.00 -42.89 -46.35 -38.21 . . 0 "[ . 1 . 2 ]"
93 . 1 130 ILE C 1 131 LEU N 1 131 LEU CA 1 131 LEU C -95.20 -35.20 -55.12 -56.52 -57.70 . . 0 "[ . 1 . 2 ]"
94 . 1 131 LEU N 1 131 LEU CA 1 131 LEU C 1 132 GLU N -67.10 -7.10 -42.14 -43.50 -43.87 . . 0 "[ . 1 . 2 ]"
95 . 1 131 LEU C 1 132 GLU N 1 132 GLU CA 1 132 GLU C -96.30 -36.30 -68.09 -71.56 -57.83 . . 0 "[ . 1 . 2 ]"
96 . 1 132 GLU N 1 132 GLU CA 1 132 GLU C 1 133 GLN N -69.80 -9.80 -38.62 -43.46 -51.45 . . 0 "[ . 1 . 2 ]"
97 . 1 132 GLU C 1 133 GLN N 1 133 GLN CA 1 133 GLN C -93.50 -33.50 -68.24 -72.76 -62.95 . . 0 "[ . 1 . 2 ]"
98 . 1 133 GLN N 1 133 GLN CA 1 133 GLN C 1 134 LEU N -71.80 -11.90 -35.48 -33.08 -33.23 . . 0 "[ . 1 . 2 ]"
99 . 1 133 GLN C 1 134 LEU N 1 134 LEU CA 1 134 LEU C -96.10 -36.10 -69.26 -81.16 -62.24 . . 0 "[ . 1 . 2 ]"
100 . 1 134 LEU N 1 134 LEU CA 1 134 LEU C 1 135 LEU N -69.00 -9.00 -52.19 -56.77 -42.00 . . 0 "[ . 1 . 2 ]"
101 . 1 139 SER C 1 140 GLU N 1 140 GLU CA 1 140 GLU C -92.80 -32.80 -57.58 -54.88 -56.74 . . 0 "[ . 1 . 2 ]"
102 . 1 140 GLU N 1 140 GLU CA 1 140 GLU C 1 141 LYS N -66.70 -6.70 -36.45 -43.16 -30.94 . . 0 "[ . 1 . 2 ]"
103 . 1 140 GLU C 1 141 LYS N 1 141 LYS CA 1 141 LYS C -93.90 -33.90 -58.67 -61.30 -64.61 . . 0 "[ . 1 . 2 ]"
104 . 1 141 LYS N 1 141 LYS CA 1 141 LYS C 1 142 GLN N -72.10 -12.10 -38.58 -38.27 -39.27 . . 0 "[ . 1 . 2 ]"
105 . 1 141 LYS C 1 142 GLN N 1 142 GLN CA 1 142 GLN C -95.50 -35.50 -69.34 -80.98 -60.04 . . 0 "[ . 1 . 2 ]"
106 . 1 142 GLN N 1 142 GLN CA 1 142 GLN C 1 143 LEU N -65.60 -5.60 -35.00 -28.54 -30.89 . . 0 "[ . 1 . 2 ]"
107 . 1 142 GLN C 1 143 LEU N 1 143 LEU CA 1 143 LEU C -93.10 -33.10 -66.24 -72.69 -60.59 . . 0 "[ . 1 . 2 ]"
108 . 1 143 LEU N 1 143 LEU CA 1 143 LEU C 1 144 ALA N -69.10 -9.10 -47.69 -51.49 -43.42 . . 0 "[ . 1 . 2 ]"
109 . 1 143 LEU C 1 144 ALA N 1 144 ALA CA 1 144 ALA C -95.00 -35.00 -60.79 -60.72 -62.71 . . 0 "[ . 1 . 2 ]"
110 . 1 144 ALA N 1 144 ALA CA 1 144 ALA C 1 145 ASP N -71.90 -11.90 -31.83 -35.20 -37.19 . . 0 "[ . 1 . 2 ]"
111 . 1 144 ALA C 1 145 ASP N 1 145 ASP CA 1 145 ASP C -92.60 -32.60 -63.55 -81.24 -56.52 . . 0 "[ . 1 . 2 ]"
112 . 1 145 ASP N 1 145 ASP CA 1 145 ASP C 1 146 ILE N -72.90 -12.90 -41.69 -47.73 -35.81 . . 0 "[ . 1 . 2 ]"
113 . 1 145 ASP C 1 146 ILE N 1 146 ILE CA 1 146 ILE C -95.20 -35.20 -67.53 -74.29 -62.03 . . 0 "[ . 1 . 2 ]"
114 . 1 146 ILE N 1 146 ILE CA 1 146 ILE C 1 147 ILE N -73.00 -13.00 -36.51 -43.48 -33.00 . . 0 "[ . 1 . 2 ]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 1
_TA_constraint_stats_list.Viol_count 16
_TA_constraint_stats_list.Viol_total 282.69
_TA_constraint_stats_list.Viol_max 1.38
_TA_constraint_stats_list.Viol_rms 0.53
_TA_constraint_stats_list.Viol_average_all_restraints 0.64
_TA_constraint_stats_list.Viol_average_violations_only 0.84
_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 5 ARG CA 1 5 ARG N 1 4 MET C 1 4 MET CA 170.00 -170.00 170.87 169.37 169.25 1.38 3 0 "[ . 1 . 2 ]"
stop_
save_
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