NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
551596 |
2lla   |
17287 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lla
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 150
_TA_constraint_stats_list.Viol_count 317
_TA_constraint_stats_list.Viol_total 4821.32
_TA_constraint_stats_list.Viol_max 2.65
_TA_constraint_stats_list.Viol_rms 0.29
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 0.76
_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 6 CYS C 1 7 GLN N 1 7 GLN CA 1 7 GLN C -156.00 -102.00 -143.19 -156.52 -117.15 0.52 14 0 "[ . 1 . 2]"
2 . 1 7 GLN C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -176.00 -100.00 -137.23 -137.57 -139.33 . . 0 "[ . 1 . 2]"
3 . 1 11 PRO C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -95.00 -47.00 -72.69 -68.57 -72.65 . . 0 "[ . 1 . 2]"
4 . 1 12 ALA C 1 13 THR N 1 13 THR CA 1 13 THR C -142.00 -74.00 -102.49 -105.99 -109.21 . . 0 "[ . 1 . 2]"
5 . 1 14 GLY C 1 15 TYR N 1 15 TYR CA 1 15 TYR C -130.00 -26.00 -89.53 -92.26 -98.40 . . 0 "[ . 1 . 2]"
6 . 1 15 TYR C 1 16 VAL N 1 16 VAL CA 1 16 VAL C -157.00 -59.00 -98.16 -100.02 -101.13 . . 0 "[ . 1 . 2]"
7 . 1 16 VAL C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -161.00 -47.00 -89.58 -91.29 -93.99 . . 0 "[ . 1 . 2]"
8 . 1 17 PHE C 1 18 ASP N 1 18 ASP CA 1 18 ASP C -155.00 -41.00 -96.46 -95.09 -95.76 . . 0 "[ . 1 . 2]"
9 . 1 19 LEU C 1 20 ASN N 1 20 ASN CA 1 20 ASN C -91.00 -33.00 -65.78 -71.84 -78.69 . . 0 "[ . 1 . 2]"
10 . 1 20 ASN C 1 21 SER N 1 21 SER CA 1 21 SER C -89.00 -37.00 -79.03 -89.42 -68.13 0.42 10 0 "[ . 1 . 2]"
11 . 1 21 SER C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -116.00 -40.00 -111.57 -117.24 -99.19 1.24 15 0 "[ . 1 . 2]"
12 . 1 23 LYS C 1 24 ARG N 1 24 ARG CA 1 24 ARG C -127.00 -47.00 -104.27 -128.88 -53.57 1.88 16 0 "[ . 1 . 2]"
13 . 1 24 ARG C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -100.00 -32.00 -72.51 -76.21 -88.69 0.26 14 0 "[ . 1 . 2]"
14 . 1 25 GLU C 1 26 SER N 1 26 SER CA 1 26 SER C -126.00 -36.00 -88.63 -89.20 -116.89 2.16 6 0 "[ . 1 . 2]"
15 . 1 27 GLY C 1 28 TYR N 1 28 TYR CA 1 28 TYR C -142.00 -40.00 -96.96 -124.63 -69.02 . . 0 "[ . 1 . 2]"
16 . 1 28 TYR C 1 29 THR N 1 29 THR CA 1 29 THR C -151.00 -51.00 -110.93 -119.21 -129.77 . . 0 "[ . 1 . 2]"
17 . 1 29 THR C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -168.00 -70.00 -111.23 -122.41 -93.82 . . 0 "[ . 1 . 2]"
18 . 1 30 ILE C 1 31 SER N 1 31 SER CA 1 31 SER C -120.00 -80.00 -95.73 -83.79 -87.11 0.83 2 0 "[ . 1 . 2]"
19 . 1 31 SER C 1 32 ASP N 1 32 ASP CA 1 32 ASP C -126.00 -58.00 -84.18 -91.72 -95.23 . . 0 "[ . 1 . 2]"
20 . 1 33 ILE C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -113.00 -37.00 -86.41 -114.97 -71.65 1.97 17 0 "[ . 1 . 2]"
21 . 1 37 SER C 1 38 ILE N 1 38 ILE CA 1 38 ILE C -157.00 -65.00 -119.42 -134.55 -83.41 . . 0 "[ . 1 . 2]"
22 . 1 38 ILE C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -152.00 -66.00 -112.47 -127.91 -103.26 . . 0 "[ . 1 . 2]"
23 . 1 39 ARG C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -151.00 -99.00 -119.87 -130.83 -110.14 . . 0 "[ . 1 . 2]"
24 . 1 41 GLY C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -139.00 -39.00 -81.93 -106.48 -59.73 . . 0 "[ . 1 . 2]"
25 . 1 45 GLU C 1 46 VAL N 1 46 VAL CA 1 46 VAL C -151.00 -47.00 -88.87 -94.90 -96.92 . . 0 "[ . 1 . 2]"
26 . 1 46 VAL C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -91.00 -27.00 -61.89 -67.60 -74.76 . . 0 "[ . 1 . 2]"
27 . 1 54 GLY C 1 55 ALA N 1 55 ALA CA 1 55 ALA C -140.00 -90.00 -129.28 -140.29 -103.11 0.29 14 0 "[ . 1 . 2]"
28 . 1 55 ALA C 1 56 CYS N 1 56 CYS CA 1 56 CYS C -166.00 -126.00 -139.96 -152.43 -124.80 1.20 1 0 "[ . 1 . 2]"
29 . 1 56 CYS C 1 57 PHE N 1 57 PHE CA 1 57 PHE C -137.00 -45.00 -97.04 -97.60 -105.35 . . 0 "[ . 1 . 2]"
30 . 1 61 GLY C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -124.00 -52.00 -83.30 -74.14 -78.02 . . 0 "[ . 1 . 2]"
31 . 1 68 ASN C 1 69 GLN N 1 69 GLN CA 1 69 GLN C -146.00 -66.00 -113.36 -130.95 -77.91 . . 0 "[ . 1 . 2]"
32 . 1 70 LYS C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -132.00 -68.00 -102.17 -101.43 -104.70 . . 0 "[ . 1 . 2]"
33 . 1 71 LEU C 1 72 SER N 1 72 SER CA 1 72 SER C -157.00 -65.00 -103.65 -103.31 -107.85 . . 0 "[ . 1 . 2]"
34 . 1 72 SER C 1 73 TYR N 1 73 TYR CA 1 73 TYR C -149.00 -53.00 -102.22 -98.89 -106.42 . . 0 "[ . 1 . 2]"
35 . 1 73 TYR C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -152.00 -78.00 -118.03 -138.38 -93.71 . . 0 "[ . 1 . 2]"
36 . 1 75 ASP C 1 76 GLN N 1 76 GLN CA 1 76 GLN C 36.00 96.00 65.40 56.20 71.90 . . 0 "[ . 1 . 2]"
37 . 1 76 GLN C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -162.00 -50.00 -123.06 -121.49 -125.78 . . 0 "[ . 1 . 2]"
38 . 1 77 VAL C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -142.00 -82.00 -89.48 -96.58 -81.86 0.14 9 0 "[ . 1 . 2]"
39 . 1 78 LEU C 1 79 GLN N 1 79 GLN CA 1 79 GLN C -163.00 -103.00 -112.41 -110.83 -112.95 1.00 17 0 "[ . 1 . 2]"
40 . 1 79 GLN C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -172.00 -96.00 -117.20 -118.79 -123.04 . . 0 "[ . 1 . 2]"
41 . 1 80 LEU C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -140.00 -82.00 -115.64 -114.53 -116.72 . . 0 "[ . 1 . 2]"
42 . 1 81 VAL C 1 82 TYR N 1 82 TYR CA 1 82 TYR C -144.00 -64.00 -97.70 -93.64 -94.61 . . 0 "[ . 1 . 2]"
43 . 1 82 TYR C 1 83 GLU N 1 83 GLU CA 1 83 GLU C -117.00 -77.00 -107.83 -107.67 -110.84 1.04 10 0 "[ . 1 . 2]"
44 . 1 86 ASP C 1 87 PRO N 1 87 PRO CA 1 87 PRO C -121.00 -13.00 -68.37 -69.01 -71.63 . . 0 "[ . 1 . 2]"
45 . 1 87 PRO C 1 88 CYS N 1 88 CYS CA 1 88 CYS C -171.00 -99.00 -99.79 -98.80 -99.65 1.70 5 0 "[ . 1 . 2]"
46 . 1 89 PRO C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -113.00 -37.00 -75.82 -86.81 -58.21 . . 0 "[ . 1 . 2]"
47 . 1 93 HIS C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -137.00 -83.00 -89.07 -124.88 -81.11 1.89 18 0 "[ . 1 . 2]"
48 . 1 94 LEU C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -146.00 -94.00 -124.06 -133.24 -103.27 . . 0 "[ . 1 . 2]"
49 . 1 96 TYR C 1 97 LYS N 1 97 LYS CA 1 97 LYS C -173.00 -99.00 -124.53 -124.51 -126.14 . . 0 "[ . 1 . 2]"
50 . 1 97 LYS C 1 98 SER N 1 98 SER CA 1 98 SER C -173.00 -121.00 -122.40 -120.12 -120.25 1.59 14 0 "[ . 1 . 2]"
51 . 1 98 SER C 1 99 VAL N 1 99 VAL CA 1 99 VAL C -141.00 -85.00 -113.64 -112.70 -115.16 . . 0 "[ . 1 . 2]"
52 . 1 99 VAL C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -148.00 -84.00 -100.45 -102.15 -103.30 . . 0 "[ . 1 . 2]"
53 . 1 100 ILE C 1 101 SER N 1 101 SER CA 1 101 SER C -138.00 -74.00 -92.93 -93.34 -94.22 . . 0 "[ . 1 . 2]"
54 . 1 101 SER C 1 102 PHE N 1 102 PHE CA 1 102 PHE C -127.00 -87.00 -87.23 -86.53 -86.56 1.08 7 0 "[ . 1 . 2]"
55 . 1 102 PHE C 1 103 VAL N 1 103 VAL CA 1 103 VAL C -164.00 -86.00 -103.77 -107.58 -108.66 . . 0 "[ . 1 . 2]"
56 . 1 103 VAL C 1 104 CYS N 1 104 CYS CA 1 104 CYS C -165.00 -77.00 -81.15 -104.77 -75.08 1.92 6 0 "[ . 1 . 2]"
57 . 1 112 SER C 1 113 GLN N 1 113 GLN CA 1 113 GLN C -115.00 -75.00 -99.97 -96.19 -101.61 1.24 11 0 "[ . 1 . 2]"
58 . 1 114 PRO C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -165.00 -61.00 -115.97 -106.66 -114.59 . . 0 "[ . 1 . 2]"
59 . 1 115 LEU C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -140.00 -28.00 -78.21 -82.96 -86.36 . . 0 "[ . 1 . 2]"
60 . 1 118 SER C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -143.00 -81.00 -114.34 -107.91 -110.37 . . 0 "[ . 1 . 2]"
61 . 1 119 VAL C 1 120 ASP N 1 120 ASP CA 1 120 ASP C -133.00 -49.00 -100.51 -118.11 -79.68 . . 0 "[ . 1 . 2]"
62 . 1 120 ASP C 1 121 GLU N 1 121 GLU CA 1 121 GLU C -80.00 -40.00 -79.98 -73.97 -80.14 1.59 9 0 "[ . 1 . 2]"
63 . 1 121 GLU C 1 122 HIS N 1 122 HIS CA 1 122 HIS C -119.00 -39.00 -88.43 -91.92 -94.22 . . 0 "[ . 1 . 2]"
64 . 1 124 CYS C 1 125 THR N 1 125 THR CA 1 125 THR C -157.00 -77.00 -95.76 -93.11 -93.37 . . 0 "[ . 1 . 2]"
65 . 1 125 THR C 1 126 LEU N 1 126 LEU CA 1 126 LEU C -155.00 -63.00 -97.29 -108.65 -91.27 . . 0 "[ . 1 . 2]"
66 . 1 126 LEU C 1 127 PHE N 1 127 PHE CA 1 127 PHE C -136.00 -66.00 -105.18 -117.68 -98.41 . . 0 "[ . 1 . 2]"
67 . 1 127 PHE C 1 128 PHE N 1 128 PHE CA 1 128 PHE C -136.00 -92.00 -122.47 -120.79 -121.06 . . 0 "[ . 1 . 2]"
68 . 1 128 PHE C 1 129 SER N 1 129 SER CA 1 129 SER C -143.00 -103.00 -110.08 -121.65 -102.82 0.18 20 0 "[ . 1 . 2]"
69 . 1 129 SER C 1 130 TRP N 1 130 TRP CA 1 130 TRP C -158.00 -78.00 -98.28 -109.20 -126.42 . . 0 "[ . 1 . 2]"
70 . 1 130 TRP C 1 131 HIS N 1 131 HIS CA 1 131 HIS C -138.00 -76.00 -85.12 -83.74 -86.77 . . 0 "[ . 1 . 2]"
71 . 1 131 HIS C 1 132 THR N 1 132 THR CA 1 132 THR C -139.00 -75.00 -130.61 -132.79 -134.08 0.46 5 0 "[ . 1 . 2]"
72 . 1 132 THR C 1 133 SER N 1 133 SER CA 1 133 SER C -80.00 -40.00 -76.06 -77.13 -77.88 0.19 6 0 "[ . 1 . 2]"
73 . 1 133 SER C 1 134 LEU N 1 134 LEU CA 1 134 LEU C -88.00 -48.00 -71.36 -71.43 -71.80 . . 0 "[ . 1 . 2]"
74 . 1 135 ALA C 1 136 CYS N 1 136 CYS CA 1 136 CYS C 179.00 -69.00 -96.62 -103.18 -110.70 . . 0 "[ . 1 . 2]"
75 . 1 137 GLU C 1 138 GLN N 1 138 GLN CA 1 138 GLN C -122.00 -82.00 -86.15 -122.78 -80.20 1.80 9 0 "[ . 1 . 2]"
76 . 1 7 GLN N 1 7 GLN CA 1 7 GLN C 1 8 VAL N 119.00 -167.00 140.31 116.88 161.53 2.12 18 0 "[ . 1 . 2]"
77 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 THR N 102.00 170.00 132.00 118.25 141.66 . . 0 "[ . 1 . 2]"
78 . 1 9 THR N 1 9 THR CA 1 9 THR C 1 10 ASN N 99.00 -173.00 120.56 101.51 167.76 . . 0 "[ . 1 . 2]"
79 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 THR N -68.00 8.00 -60.77 -68.57 -49.49 0.57 16 0 "[ . 1 . 2]"
80 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 GLY N -34.00 22.00 -18.90 -30.18 -6.28 . . 0 "[ . 1 . 2]"
81 . 1 15 TYR N 1 15 TYR CA 1 15 TYR C 1 16 VAL N 110.00 150.00 132.84 109.61 143.29 0.39 6 0 "[ . 1 . 2]"
82 . 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 PHE N 84.00 166.00 114.55 99.23 128.49 . . 0 "[ . 1 . 2]"
83 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 ASP N 83.00 -177.00 103.95 95.33 111.18 . . 0 "[ . 1 . 2]"
84 . 1 18 ASP N 1 18 ASP CA 1 18 ASP C 1 19 LEU N 89.00 175.00 108.25 104.51 103.15 . . 0 "[ . 1 . 2]"
85 . 1 20 ASN N 1 20 ASN CA 1 20 ASN C 1 21 SER N -53.00 -13.00 -24.43 -14.87 -16.81 0.70 2 0 "[ . 1 . 2]"
86 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 LEU N -52.00 -4.00 -13.08 -20.90 -3.97 0.03 19 0 "[ . 1 . 2]"
87 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 LYS N -73.00 31.00 -9.23 -45.66 -69.60 . . 0 "[ . 1 . 2]"
88 . 1 24 ARG N 1 24 ARG CA 1 24 ARG C 1 25 GLU N 85.00 -171.00 116.67 101.11 97.90 . . 0 "[ . 1 . 2]"
89 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 SER N -65.00 11.00 -38.57 -30.08 -34.11 1.14 10 0 "[ . 1 . 2]"
90 . 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 GLY N -40.00 32.00 -18.12 -26.31 -31.54 0.23 18 0 "[ . 1 . 2]"
91 . 1 28 TYR N 1 28 TYR CA 1 28 TYR C 1 29 THR N 115.00 155.00 123.26 113.72 145.81 1.28 10 0 "[ . 1 . 2]"
92 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 SER N 82.00 178.00 144.21 111.14 159.47 . . 0 "[ . 1 . 2]"
93 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 ASP N 91.00 167.00 122.79 92.61 141.17 . . 0 "[ . 1 . 2]"
94 . 1 32 ASP N 1 32 ASP CA 1 32 ASP C 1 33 ILE N 96.00 174.00 146.42 136.95 129.32 1.48 10 0 "[ . 1 . 2]"
95 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 LYS N -54.00 2.00 -10.19 -12.52 -26.38 1.75 5 0 "[ . 1 . 2]"
96 . 1 38 ILE N 1 38 ILE CA 1 38 ILE C 1 39 ARG N 105.00 161.00 132.05 139.02 136.03 . . 0 "[ . 1 . 2]"
97 . 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 LEU N 83.00 165.00 116.94 118.57 117.20 . . 0 "[ . 1 . 2]"
98 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 GLY N 113.00 153.00 127.96 134.68 132.27 . . 0 "[ . 1 . 2]"
99 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 CYS N 117.00 171.00 118.26 115.02 143.27 1.98 6 0 "[ . 1 . 2]"
100 . 1 46 VAL N 1 46 VAL CA 1 46 VAL C 1 47 LYS N 47.00 -165.00 94.29 81.79 122.07 . . 0 "[ . 1 . 2]"
101 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 ASP N -53.00 -5.00 -21.06 -22.54 -24.67 . . 0 "[ . 1 . 2]"
102 . 1 55 ALA N 1 55 ALA CA 1 55 ALA C 1 56 CYS N 119.00 175.00 129.85 121.88 120.28 0.55 1 0 "[ . 1 . 2]"
103 . 1 56 CYS N 1 56 CYS CA 1 56 CYS C 1 57 PHE N 137.00 177.00 147.94 142.74 139.86 0.23 16 0 "[ . 1 . 2]"
104 . 1 57 PHE N 1 57 PHE CA 1 57 PHE C 1 58 GLU N 87.00 163.00 126.46 100.29 160.75 . . 0 "[ . 1 . 2]"
105 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 LYS N 110.00 150.00 134.93 125.12 122.21 1.10 11 0 "[ . 1 . 2]"
106 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 LEU N 56.00 160.00 93.09 90.81 83.69 . . 0 "[ . 1 . 2]"
107 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 SER N 97.00 169.00 110.04 103.34 98.42 0.64 12 0 "[ . 1 . 2]"
108 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 TYR N 64.00 178.00 129.80 109.67 158.70 . . 0 "[ . 1 . 2]"
109 . 1 73 TYR N 1 73 TYR CA 1 73 TYR C 1 74 VAL N 102.00 152.00 107.80 101.02 135.00 0.98 12 0 "[ . 1 . 2]"
110 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 ASP N 72.00 168.00 117.54 80.21 167.75 . . 0 "[ . 1 . 2]"
111 . 1 76 GLN N 1 76 GLN CA 1 76 GLN C 1 77 VAL N -9.00 41.00 11.63 -9.73 24.56 0.73 9 0 "[ . 1 . 2]"
112 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 LEU N 120.00 160.00 130.69 132.13 128.46 1.51 20 0 "[ . 1 . 2]"
113 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 GLN N 100.00 156.00 127.08 113.64 141.30 . . 0 "[ . 1 . 2]"
114 . 1 79 GLN N 1 79 GLN CA 1 79 GLN C 1 80 LEU N 115.00 175.00 118.84 114.01 135.54 0.99 11 0 "[ . 1 . 2]"
115 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 VAL N 101.00 -177.00 116.01 102.02 136.08 . . 0 "[ . 1 . 2]"
116 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 TYR N 99.00 139.00 122.03 108.55 135.42 . . 0 "[ . 1 . 2]"
117 . 1 82 TYR N 1 82 TYR CA 1 82 TYR C 1 83 GLU N 84.00 148.00 107.33 92.33 119.33 . . 0 "[ . 1 . 2]"
118 . 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 ASP N 146.00 -174.00 170.56 154.44 -177.17 . . 0 "[ . 1 . 2]"
119 . 1 87 PRO N 1 87 PRO CA 1 87 PRO C 1 88 CYS N 108.00 168.00 143.59 134.31 157.93 . . 0 "[ . 1 . 2]"
120 . 1 88 CYS N 1 88 CYS CA 1 88 CYS C 1 89 PRO N 127.00 -173.00 135.60 126.22 149.06 0.78 12 0 "[ . 1 . 2]"
121 . 1 90 ALA N 1 90 ALA CA 1 90 ALA C 1 91 ASN N -67.00 21.00 -53.14 -56.15 -61.16 0.52 6 0 "[ . 1 . 2]"
122 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 LYS N 114.00 154.00 133.20 120.13 154.80 0.80 11 0 "[ . 1 . 2]"
123 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 TYR N 122.00 162.00 158.97 146.94 163.80 1.80 14 0 "[ . 1 . 2]"
124 . 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1 98 SER N 132.00 172.00 135.78 130.38 147.04 1.62 9 0 "[ . 1 . 2]"
125 . 1 98 SER N 1 98 SER CA 1 98 SER C 1 99 VAL N 117.00 157.00 120.12 115.68 131.27 1.32 6 0 "[ . 1 . 2]"
126 . 1 99 VAL N 1 99 VAL CA 1 99 VAL C 1 100 ILE N 98.00 148.00 113.13 101.32 124.73 . . 0 "[ . 1 . 2]"
127 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 SER N 91.00 157.00 110.68 101.51 122.55 . . 0 "[ . 1 . 2]"
128 . 1 101 SER N 1 101 SER CA 1 101 SER C 1 102 PHE N 101.00 141.00 111.83 109.26 106.58 . . 0 "[ . 1 . 2]"
129 . 1 102 PHE N 1 102 PHE CA 1 102 PHE C 1 103 VAL N 98.00 138.00 108.07 101.66 115.02 . . 0 "[ . 1 . 2]"
130 . 1 104 CYS N 1 104 CYS CA 1 104 CYS C 1 105 LYS N 111.00 161.00 133.27 117.51 150.89 . . 0 "[ . 1 . 2]"
131 . 1 105 LYS N 1 105 LYS CA 1 105 LYS C 1 106 SER N 87.00 155.00 103.63 88.06 116.72 . . 0 "[ . 1 . 2]"
132 . 1 113 GLN N 1 113 GLN CA 1 113 GLN C 1 114 PRO N 122.00 162.00 123.20 126.14 126.11 2.65 6 0 "[ . 1 . 2]"
133 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 LEU N 106.00 -166.00 122.44 108.03 136.82 . . 0 "[ . 1 . 2]"
134 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 LEU N 72.00 160.00 115.44 91.72 127.01 . . 0 "[ . 1 . 2]"
135 . 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 ASP N 112.00 152.00 115.60 110.17 138.92 1.83 11 0 "[ . 1 . 2]"
136 . 1 120 ASP N 1 120 ASP CA 1 120 ASP C 1 121 GLU N 92.00 144.00 110.29 91.66 126.75 0.34 8 0 "[ . 1 . 2]"
137 . 1 121 GLU N 1 121 GLU CA 1 121 GLU C 1 122 HIS N -56.00 8.00 -4.49 -33.06 8.62 0.62 9 0 "[ . 1 . 2]"
138 . 1 122 HIS N 1 122 HIS CA 1 122 HIS C 1 123 THR N -51.00 13.00 -45.92 -48.24 -51.20 1.50 19 0 "[ . 1 . 2]"
139 . 1 125 THR N 1 125 THR CA 1 125 THR C 1 126 LEU N 98.00 -178.00 121.74 113.97 130.37 . . 0 "[ . 1 . 2]"
140 . 1 126 LEU N 1 126 LEU CA 1 126 LEU C 1 127 PHE N 85.00 177.00 121.35 115.72 114.11 . . 0 "[ . 1 . 2]"
141 . 1 127 PHE N 1 127 PHE CA 1 127 PHE C 1 128 PHE N 88.00 170.00 113.85 113.56 112.47 . . 0 "[ . 1 . 2]"
142 . 1 128 PHE N 1 128 PHE CA 1 128 PHE C 1 129 SER N 104.00 -178.00 135.52 126.72 140.21 . . 0 "[ . 1 . 2]"
143 . 1 129 SER N 1 129 SER CA 1 129 SER C 1 130 TRP N 104.00 144.00 109.75 103.52 138.15 0.48 10 0 "[ . 1 . 2]"
144 . 1 130 TRP N 1 130 TRP CA 1 130 TRP C 1 131 HIS N 95.00 153.00 111.81 104.62 122.01 . . 0 "[ . 1 . 2]"
145 . 1 131 HIS N 1 131 HIS CA 1 131 HIS C 1 132 THR N 96.00 140.00 101.97 102.98 102.06 . . 0 "[ . 1 . 2]"
146 . 1 132 THR N 1 132 THR CA 1 132 THR C 1 133 SER N 75.00 153.00 152.62 149.90 154.02 1.02 19 0 "[ . 1 . 2]"
147 . 1 133 SER N 1 133 SER CA 1 133 SER C 1 134 LEU N -51.00 -3.00 -25.39 -23.81 -24.88 . . 0 "[ . 1 . 2]"
148 . 1 134 LEU N 1 134 LEU CA 1 134 LEU C 1 135 ALA N -47.00 -7.00 -6.76 -16.80 -4.58 2.42 10 0 "[ . 1 . 2]"
149 . 1 136 CYS N 1 136 CYS CA 1 136 CYS C 1 137 GLU N 116.00 176.00 152.64 169.46 164.90 1.98 10 0 "[ . 1 . 2]"
150 . 1 138 GLN N 1 138 GLN CA 1 138 GLN C 1 139 GLU N 117.00 157.00 130.22 114.51 157.98 2.49 8 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 150
_TA_constraint_stats_list.Viol_count 317
_TA_constraint_stats_list.Viol_total 4821.32
_TA_constraint_stats_list.Viol_max 2.65
_TA_constraint_stats_list.Viol_rms 0.29
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 0.76
_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 6 CYS C 1 7 GLN N 1 7 GLN CA 1 7 GLN C -156.00 -102.00 -143.19 -156.52 -117.15 0.52 14 0 "[ . 1 . 2]"
2 . 1 7 GLN C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -176.00 -100.00 -137.23 -137.57 -139.33 . . 0 "[ . 1 . 2]"
3 . 1 11 PRO C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -95.00 -47.00 -72.69 -68.57 -72.65 . . 0 "[ . 1 . 2]"
4 . 1 12 ALA C 1 13 THR N 1 13 THR CA 1 13 THR C -142.00 -74.00 -102.49 -105.99 -109.21 . . 0 "[ . 1 . 2]"
5 . 1 14 GLY C 1 15 TYR N 1 15 TYR CA 1 15 TYR C -130.00 -26.00 -89.53 -92.26 -98.40 . . 0 "[ . 1 . 2]"
6 . 1 15 TYR C 1 16 VAL N 1 16 VAL CA 1 16 VAL C -157.00 -59.00 -98.16 -100.02 -101.13 . . 0 "[ . 1 . 2]"
7 . 1 16 VAL C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -161.00 -47.00 -89.58 -91.29 -93.99 . . 0 "[ . 1 . 2]"
8 . 1 17 PHE C 1 18 ASP N 1 18 ASP CA 1 18 ASP C -155.00 -41.00 -96.46 -95.09 -95.76 . . 0 "[ . 1 . 2]"
9 . 1 19 LEU C 1 20 ASN N 1 20 ASN CA 1 20 ASN C -91.00 -33.00 -65.78 -71.84 -78.69 . . 0 "[ . 1 . 2]"
10 . 1 20 ASN C 1 21 SER N 1 21 SER CA 1 21 SER C -89.00 -37.00 -79.03 -89.42 -68.13 0.42 10 0 "[ . 1 . 2]"
11 . 1 21 SER C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -116.00 -40.00 -111.57 -117.24 -99.19 1.24 15 0 "[ . 1 . 2]"
12 . 1 23 LYS C 1 24 ARG N 1 24 ARG CA 1 24 ARG C -127.00 -47.00 -104.27 -128.88 -53.57 1.88 16 0 "[ . 1 . 2]"
13 . 1 24 ARG C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -100.00 -32.00 -72.51 -76.21 -88.69 0.26 14 0 "[ . 1 . 2]"
14 . 1 25 GLU C 1 26 SER N 1 26 SER CA 1 26 SER C -126.00 -36.00 -88.63 -89.20 -116.89 2.16 6 0 "[ . 1 . 2]"
15 . 1 27 GLY C 1 28 TYR N 1 28 TYR CA 1 28 TYR C -142.00 -40.00 -96.96 -124.63 -69.02 . . 0 "[ . 1 . 2]"
16 . 1 28 TYR C 1 29 THR N 1 29 THR CA 1 29 THR C -151.00 -51.00 -110.93 -119.21 -129.77 . . 0 "[ . 1 . 2]"
17 . 1 29 THR C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -168.00 -70.00 -111.23 -122.41 -93.82 . . 0 "[ . 1 . 2]"
18 . 1 30 ILE C 1 31 SER N 1 31 SER CA 1 31 SER C -120.00 -80.00 -95.73 -83.79 -87.11 0.83 2 0 "[ . 1 . 2]"
19 . 1 31 SER C 1 32 ASP N 1 32 ASP CA 1 32 ASP C -126.00 -58.00 -84.18 -91.72 -95.23 . . 0 "[ . 1 . 2]"
20 . 1 33 ILE C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -113.00 -37.00 -86.41 -114.97 -71.65 1.97 17 0 "[ . 1 . 2]"
21 . 1 37 SER C 1 38 ILE N 1 38 ILE CA 1 38 ILE C -157.00 -65.00 -119.42 -134.55 -83.41 . . 0 "[ . 1 . 2]"
22 . 1 38 ILE C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -152.00 -66.00 -112.47 -127.91 -103.26 . . 0 "[ . 1 . 2]"
23 . 1 39 ARG C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -151.00 -99.00 -119.87 -130.83 -110.14 . . 0 "[ . 1 . 2]"
24 . 1 41 GLY C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -139.00 -39.00 -81.93 -106.48 -59.73 . . 0 "[ . 1 . 2]"
25 . 1 45 GLU C 1 46 VAL N 1 46 VAL CA 1 46 VAL C -151.00 -47.00 -88.87 -94.90 -96.92 . . 0 "[ . 1 . 2]"
26 . 1 46 VAL C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -91.00 -27.00 -61.89 -67.60 -74.76 . . 0 "[ . 1 . 2]"
27 . 1 54 GLY C 1 55 ALA N 1 55 ALA CA 1 55 ALA C -140.00 -90.00 -129.28 -140.29 -103.11 0.29 14 0 "[ . 1 . 2]"
28 . 1 55 ALA C 1 56 CYS N 1 56 CYS CA 1 56 CYS C -166.00 -126.00 -139.96 -152.43 -124.80 1.20 1 0 "[ . 1 . 2]"
29 . 1 56 CYS C 1 57 PHE N 1 57 PHE CA 1 57 PHE C -137.00 -45.00 -97.04 -97.60 -105.35 . . 0 "[ . 1 . 2]"
30 . 1 61 GLY C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -124.00 -52.00 -83.30 -74.14 -78.02 . . 0 "[ . 1 . 2]"
31 . 1 68 ASN C 1 69 GLN N 1 69 GLN CA 1 69 GLN C -146.00 -66.00 -113.36 -130.95 -77.91 . . 0 "[ . 1 . 2]"
32 . 1 70 LYS C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -132.00 -68.00 -102.17 -101.43 -104.70 . . 0 "[ . 1 . 2]"
33 . 1 71 LEU C 1 72 SER N 1 72 SER CA 1 72 SER C -157.00 -65.00 -103.65 -103.31 -107.85 . . 0 "[ . 1 . 2]"
34 . 1 72 SER C 1 73 TYR N 1 73 TYR CA 1 73 TYR C -149.00 -53.00 -102.22 -98.89 -106.42 . . 0 "[ . 1 . 2]"
35 . 1 73 TYR C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -152.00 -78.00 -118.03 -138.38 -93.71 . . 0 "[ . 1 . 2]"
36 . 1 75 ASP C 1 76 GLN N 1 76 GLN CA 1 76 GLN C 36.00 96.00 65.40 56.20 71.90 . . 0 "[ . 1 . 2]"
37 . 1 76 GLN C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -162.00 -50.00 -123.06 -121.49 -125.78 . . 0 "[ . 1 . 2]"
38 . 1 77 VAL C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -142.00 -82.00 -89.48 -96.58 -81.86 0.14 9 0 "[ . 1 . 2]"
39 . 1 78 LEU C 1 79 GLN N 1 79 GLN CA 1 79 GLN C -163.00 -103.00 -112.41 -110.83 -112.95 1.00 17 0 "[ . 1 . 2]"
40 . 1 79 GLN C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -172.00 -96.00 -117.20 -118.79 -123.04 . . 0 "[ . 1 . 2]"
41 . 1 80 LEU C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -140.00 -82.00 -115.64 -114.53 -116.72 . . 0 "[ . 1 . 2]"
42 . 1 81 VAL C 1 82 TYR N 1 82 TYR CA 1 82 TYR C -144.00 -64.00 -97.70 -93.64 -94.61 . . 0 "[ . 1 . 2]"
43 . 1 82 TYR C 1 83 GLU N 1 83 GLU CA 1 83 GLU C -117.00 -77.00 -107.83 -107.67 -110.84 1.04 10 0 "[ . 1 . 2]"
44 . 1 86 ASP C 1 87 PRO N 1 87 PRO CA 1 87 PRO C -121.00 -13.00 -68.37 -69.01 -71.63 . . 0 "[ . 1 . 2]"
45 . 1 87 PRO C 1 88 CYS N 1 88 CYS CA 1 88 CYS C -171.00 -99.00 -99.79 -98.80 -99.65 1.70 5 0 "[ . 1 . 2]"
46 . 1 89 PRO C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -113.00 -37.00 -75.82 -86.81 -58.21 . . 0 "[ . 1 . 2]"
47 . 1 93 HIS C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -137.00 -83.00 -89.07 -124.88 -81.11 1.89 18 0 "[ . 1 . 2]"
48 . 1 94 LEU C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -146.00 -94.00 -124.06 -133.24 -103.27 . . 0 "[ . 1 . 2]"
49 . 1 96 TYR C 1 97 LYS N 1 97 LYS CA 1 97 LYS C -173.00 -99.00 -124.53 -124.51 -126.14 . . 0 "[ . 1 . 2]"
50 . 1 97 LYS C 1 98 SER N 1 98 SER CA 1 98 SER C -173.00 -121.00 -122.40 -120.12 -120.25 1.59 14 0 "[ . 1 . 2]"
51 . 1 98 SER C 1 99 VAL N 1 99 VAL CA 1 99 VAL C -141.00 -85.00 -113.64 -112.70 -115.16 . . 0 "[ . 1 . 2]"
52 . 1 99 VAL C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -148.00 -84.00 -100.45 -102.15 -103.30 . . 0 "[ . 1 . 2]"
53 . 1 100 ILE C 1 101 SER N 1 101 SER CA 1 101 SER C -138.00 -74.00 -92.93 -93.34 -94.22 . . 0 "[ . 1 . 2]"
54 . 1 101 SER C 1 102 PHE N 1 102 PHE CA 1 102 PHE C -127.00 -87.00 -87.23 -86.53 -86.56 1.08 7 0 "[ . 1 . 2]"
55 . 1 102 PHE C 1 103 VAL N 1 103 VAL CA 1 103 VAL C -164.00 -86.00 -103.77 -107.58 -108.66 . . 0 "[ . 1 . 2]"
56 . 1 103 VAL C 1 104 CYS N 1 104 CYS CA 1 104 CYS C -165.00 -77.00 -81.15 -104.77 -75.08 1.92 6 0 "[ . 1 . 2]"
57 . 1 112 SER C 1 113 GLN N 1 113 GLN CA 1 113 GLN C -115.00 -75.00 -99.97 -96.19 -101.61 1.24 11 0 "[ . 1 . 2]"
58 . 1 114 PRO C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -165.00 -61.00 -115.97 -106.66 -114.59 . . 0 "[ . 1 . 2]"
59 . 1 115 LEU C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -140.00 -28.00 -78.21 -82.96 -86.36 . . 0 "[ . 1 . 2]"
60 . 1 118 SER C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -143.00 -81.00 -114.34 -107.91 -110.37 . . 0 "[ . 1 . 2]"
61 . 1 119 VAL C 1 120 ASP N 1 120 ASP CA 1 120 ASP C -133.00 -49.00 -100.51 -118.11 -79.68 . . 0 "[ . 1 . 2]"
62 . 1 120 ASP C 1 121 GLU N 1 121 GLU CA 1 121 GLU C -80.00 -40.00 -79.98 -73.97 -80.14 1.59 9 0 "[ . 1 . 2]"
63 . 1 121 GLU C 1 122 HIS N 1 122 HIS CA 1 122 HIS C -119.00 -39.00 -88.43 -91.92 -94.22 . . 0 "[ . 1 . 2]"
64 . 1 124 CYS C 1 125 THR N 1 125 THR CA 1 125 THR C -157.00 -77.00 -95.76 -93.11 -93.37 . . 0 "[ . 1 . 2]"
65 . 1 125 THR C 1 126 LEU N 1 126 LEU CA 1 126 LEU C -155.00 -63.00 -97.29 -108.65 -91.27 . . 0 "[ . 1 . 2]"
66 . 1 126 LEU C 1 127 PHE N 1 127 PHE CA 1 127 PHE C -136.00 -66.00 -105.18 -117.68 -98.41 . . 0 "[ . 1 . 2]"
67 . 1 127 PHE C 1 128 PHE N 1 128 PHE CA 1 128 PHE C -136.00 -92.00 -122.47 -120.79 -121.06 . . 0 "[ . 1 . 2]"
68 . 1 128 PHE C 1 129 SER N 1 129 SER CA 1 129 SER C -143.00 -103.00 -110.08 -121.65 -102.82 0.18 20 0 "[ . 1 . 2]"
69 . 1 129 SER C 1 130 TRP N 1 130 TRP CA 1 130 TRP C -158.00 -78.00 -98.28 -109.20 -126.42 . . 0 "[ . 1 . 2]"
70 . 1 130 TRP C 1 131 HIS N 1 131 HIS CA 1 131 HIS C -138.00 -76.00 -85.12 -83.74 -86.77 . . 0 "[ . 1 . 2]"
71 . 1 131 HIS C 1 132 THR N 1 132 THR CA 1 132 THR C -139.00 -75.00 -130.61 -132.79 -134.08 0.46 5 0 "[ . 1 . 2]"
72 . 1 132 THR C 1 133 SER N 1 133 SER CA 1 133 SER C -80.00 -40.00 -76.06 -77.13 -77.88 0.19 6 0 "[ . 1 . 2]"
73 . 1 133 SER C 1 134 LEU N 1 134 LEU CA 1 134 LEU C -88.00 -48.00 -71.36 -71.43 -71.80 . . 0 "[ . 1 . 2]"
74 . 1 135 ALA C 1 136 CYS N 1 136 CYS CA 1 136 CYS C 179.00 -69.00 -96.62 -103.18 -110.70 . . 0 "[ . 1 . 2]"
75 . 1 137 GLU C 1 138 GLN N 1 138 GLN CA 1 138 GLN C -122.00 -82.00 -86.15 -122.78 -80.20 1.80 9 0 "[ . 1 . 2]"
76 . 1 7 GLN N 1 7 GLN CA 1 7 GLN C 1 8 VAL N 119.00 -167.00 140.31 116.88 161.53 2.12 18 0 "[ . 1 . 2]"
77 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 THR N 102.00 170.00 132.00 118.25 141.66 . . 0 "[ . 1 . 2]"
78 . 1 9 THR N 1 9 THR CA 1 9 THR C 1 10 ASN N 99.00 -173.00 120.56 101.51 167.76 . . 0 "[ . 1 . 2]"
79 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 THR N -68.00 8.00 -60.77 -68.57 -49.49 0.57 16 0 "[ . 1 . 2]"
80 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 GLY N -34.00 22.00 -18.90 -30.18 -6.28 . . 0 "[ . 1 . 2]"
81 . 1 15 TYR N 1 15 TYR CA 1 15 TYR C 1 16 VAL N 110.00 150.00 132.84 109.61 143.29 0.39 6 0 "[ . 1 . 2]"
82 . 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 PHE N 84.00 166.00 114.55 99.23 128.49 . . 0 "[ . 1 . 2]"
83 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 ASP N 83.00 -177.00 103.95 95.33 111.18 . . 0 "[ . 1 . 2]"
84 . 1 18 ASP N 1 18 ASP CA 1 18 ASP C 1 19 LEU N 89.00 175.00 108.25 104.51 103.15 . . 0 "[ . 1 . 2]"
85 . 1 20 ASN N 1 20 ASN CA 1 20 ASN C 1 21 SER N -53.00 -13.00 -24.43 -14.87 -16.81 0.70 2 0 "[ . 1 . 2]"
86 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 LEU N -52.00 -4.00 -13.08 -20.90 -3.97 0.03 19 0 "[ . 1 . 2]"
87 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 LYS N -73.00 31.00 -9.23 -45.66 -69.60 . . 0 "[ . 1 . 2]"
88 . 1 24 ARG N 1 24 ARG CA 1 24 ARG C 1 25 GLU N 85.00 -171.00 116.67 101.11 97.90 . . 0 "[ . 1 . 2]"
89 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 SER N -65.00 11.00 -38.57 -30.08 -34.11 1.14 10 0 "[ . 1 . 2]"
90 . 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 GLY N -40.00 32.00 -18.12 -26.31 -31.54 0.23 18 0 "[ . 1 . 2]"
91 . 1 28 TYR N 1 28 TYR CA 1 28 TYR C 1 29 THR N 115.00 155.00 123.26 113.72 145.81 1.28 10 0 "[ . 1 . 2]"
92 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 SER N 82.00 178.00 144.21 111.14 159.47 . . 0 "[ . 1 . 2]"
93 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 ASP N 91.00 167.00 122.79 92.61 141.17 . . 0 "[ . 1 . 2]"
94 . 1 32 ASP N 1 32 ASP CA 1 32 ASP C 1 33 ILE N 96.00 174.00 146.42 136.95 129.32 1.48 10 0 "[ . 1 . 2]"
95 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 LYS N -54.00 2.00 -10.19 -12.52 -26.38 1.75 5 0 "[ . 1 . 2]"
96 . 1 38 ILE N 1 38 ILE CA 1 38 ILE C 1 39 ARG N 105.00 161.00 132.05 139.02 136.03 . . 0 "[ . 1 . 2]"
97 . 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 LEU N 83.00 165.00 116.94 118.57 117.20 . . 0 "[ . 1 . 2]"
98 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 GLY N 113.00 153.00 127.96 134.68 132.27 . . 0 "[ . 1 . 2]"
99 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 CYS N 117.00 171.00 118.26 115.02 143.27 1.98 6 0 "[ . 1 . 2]"
100 . 1 46 VAL N 1 46 VAL CA 1 46 VAL C 1 47 LYS N 47.00 -165.00 94.29 81.79 122.07 . . 0 "[ . 1 . 2]"
101 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 ASP N -53.00 -5.00 -21.06 -22.54 -24.67 . . 0 "[ . 1 . 2]"
102 . 1 55 ALA N 1 55 ALA CA 1 55 ALA C 1 56 CYS N 119.00 175.00 129.85 121.88 120.28 0.55 1 0 "[ . 1 . 2]"
103 . 1 56 CYS N 1 56 CYS CA 1 56 CYS C 1 57 PHE N 137.00 177.00 147.94 142.74 139.86 0.23 16 0 "[ . 1 . 2]"
104 . 1 57 PHE N 1 57 PHE CA 1 57 PHE C 1 58 GLU N 87.00 163.00 126.46 100.29 160.75 . . 0 "[ . 1 . 2]"
105 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 LYS N 110.00 150.00 134.93 125.12 122.21 1.10 11 0 "[ . 1 . 2]"
106 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 LEU N 56.00 160.00 93.09 90.81 83.69 . . 0 "[ . 1 . 2]"
107 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 SER N 97.00 169.00 110.04 103.34 98.42 0.64 12 0 "[ . 1 . 2]"
108 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 TYR N 64.00 178.00 129.80 109.67 158.70 . . 0 "[ . 1 . 2]"
109 . 1 73 TYR N 1 73 TYR CA 1 73 TYR C 1 74 VAL N 102.00 152.00 107.80 101.02 135.00 0.98 12 0 "[ . 1 . 2]"
110 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 ASP N 72.00 168.00 117.54 80.21 167.75 . . 0 "[ . 1 . 2]"
111 . 1 76 GLN N 1 76 GLN CA 1 76 GLN C 1 77 VAL N -9.00 41.00 11.63 -9.73 24.56 0.73 9 0 "[ . 1 . 2]"
112 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 LEU N 120.00 160.00 130.69 132.13 128.46 1.51 20 0 "[ . 1 . 2]"
113 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 GLN N 100.00 156.00 127.08 113.64 141.30 . . 0 "[ . 1 . 2]"
114 . 1 79 GLN N 1 79 GLN CA 1 79 GLN C 1 80 LEU N 115.00 175.00 118.84 114.01 135.54 0.99 11 0 "[ . 1 . 2]"
115 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 VAL N 101.00 -177.00 116.01 102.02 136.08 . . 0 "[ . 1 . 2]"
116 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 TYR N 99.00 139.00 122.03 108.55 135.42 . . 0 "[ . 1 . 2]"
117 . 1 82 TYR N 1 82 TYR CA 1 82 TYR C 1 83 GLU N 84.00 148.00 107.33 92.33 119.33 . . 0 "[ . 1 . 2]"
118 . 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 ASP N 146.00 -174.00 170.56 154.44 -177.17 . . 0 "[ . 1 . 2]"
119 . 1 87 PRO N 1 87 PRO CA 1 87 PRO C 1 88 CYS N 108.00 168.00 143.59 134.31 157.93 . . 0 "[ . 1 . 2]"
120 . 1 88 CYS N 1 88 CYS CA 1 88 CYS C 1 89 PRO N 127.00 -173.00 135.60 126.22 149.06 0.78 12 0 "[ . 1 . 2]"
121 . 1 90 ALA N 1 90 ALA CA 1 90 ALA C 1 91 ASN N -67.00 21.00 -53.14 -56.15 -61.16 0.52 6 0 "[ . 1 . 2]"
122 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 LYS N 114.00 154.00 133.20 120.13 154.80 0.80 11 0 "[ . 1 . 2]"
123 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 TYR N 122.00 162.00 158.97 146.94 163.80 1.80 14 0 "[ . 1 . 2]"
124 . 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1 98 SER N 132.00 172.00 135.78 130.38 147.04 1.62 9 0 "[ . 1 . 2]"
125 . 1 98 SER N 1 98 SER CA 1 98 SER C 1 99 VAL N 117.00 157.00 120.12 115.68 131.27 1.32 6 0 "[ . 1 . 2]"
126 . 1 99 VAL N 1 99 VAL CA 1 99 VAL C 1 100 ILE N 98.00 148.00 113.13 101.32 124.73 . . 0 "[ . 1 . 2]"
127 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 SER N 91.00 157.00 110.68 101.51 122.55 . . 0 "[ . 1 . 2]"
128 . 1 101 SER N 1 101 SER CA 1 101 SER C 1 102 PHE N 101.00 141.00 111.83 109.26 106.58 . . 0 "[ . 1 . 2]"
129 . 1 102 PHE N 1 102 PHE CA 1 102 PHE C 1 103 VAL N 98.00 138.00 108.07 101.66 115.02 . . 0 "[ . 1 . 2]"
130 . 1 104 CYS N 1 104 CYS CA 1 104 CYS C 1 105 LYS N 111.00 161.00 133.27 117.51 150.89 . . 0 "[ . 1 . 2]"
131 . 1 105 LYS N 1 105 LYS CA 1 105 LYS C 1 106 SER N 87.00 155.00 103.63 88.06 116.72 . . 0 "[ . 1 . 2]"
132 . 1 113 GLN N 1 113 GLN CA 1 113 GLN C 1 114 PRO N 122.00 162.00 123.20 126.14 126.11 2.65 6 0 "[ . 1 . 2]"
133 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 LEU N 106.00 -166.00 122.44 108.03 136.82 . . 0 "[ . 1 . 2]"
134 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 LEU N 72.00 160.00 115.44 91.72 127.01 . . 0 "[ . 1 . 2]"
135 . 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 ASP N 112.00 152.00 115.60 110.17 138.92 1.83 11 0 "[ . 1 . 2]"
136 . 1 120 ASP N 1 120 ASP CA 1 120 ASP C 1 121 GLU N 92.00 144.00 110.29 91.66 126.75 0.34 8 0 "[ . 1 . 2]"
137 . 1 121 GLU N 1 121 GLU CA 1 121 GLU C 1 122 HIS N -56.00 8.00 -4.49 -33.06 8.62 0.62 9 0 "[ . 1 . 2]"
138 . 1 122 HIS N 1 122 HIS CA 1 122 HIS C 1 123 THR N -51.00 13.00 -45.92 -48.24 -51.20 1.50 19 0 "[ . 1 . 2]"
139 . 1 125 THR N 1 125 THR CA 1 125 THR C 1 126 LEU N 98.00 -178.00 121.74 113.97 130.37 . . 0 "[ . 1 . 2]"
140 . 1 126 LEU N 1 126 LEU CA 1 126 LEU C 1 127 PHE N 85.00 177.00 121.35 115.72 114.11 . . 0 "[ . 1 . 2]"
141 . 1 127 PHE N 1 127 PHE CA 1 127 PHE C 1 128 PHE N 88.00 170.00 113.85 113.56 112.47 . . 0 "[ . 1 . 2]"
142 . 1 128 PHE N 1 128 PHE CA 1 128 PHE C 1 129 SER N 104.00 -178.00 135.52 126.72 140.21 . . 0 "[ . 1 . 2]"
143 . 1 129 SER N 1 129 SER CA 1 129 SER C 1 130 TRP N 104.00 144.00 109.75 103.52 138.15 0.48 10 0 "[ . 1 . 2]"
144 . 1 130 TRP N 1 130 TRP CA 1 130 TRP C 1 131 HIS N 95.00 153.00 111.81 104.62 122.01 . . 0 "[ . 1 . 2]"
145 . 1 131 HIS N 1 131 HIS CA 1 131 HIS C 1 132 THR N 96.00 140.00 101.97 102.98 102.06 . . 0 "[ . 1 . 2]"
146 . 1 132 THR N 1 132 THR CA 1 132 THR C 1 133 SER N 75.00 153.00 152.62 149.90 154.02 1.02 19 0 "[ . 1 . 2]"
147 . 1 133 SER N 1 133 SER CA 1 133 SER C 1 134 LEU N -51.00 -3.00 -25.39 -23.81 -24.88 . . 0 "[ . 1 . 2]"
148 . 1 134 LEU N 1 134 LEU CA 1 134 LEU C 1 135 ALA N -47.00 -7.00 -6.76 -16.80 -4.58 2.42 10 0 "[ . 1 . 2]"
149 . 1 136 CYS N 1 136 CYS CA 1 136 CYS C 1 137 GLU N 116.00 176.00 152.64 169.46 164.90 1.98 10 0 "[ . 1 . 2]"
150 . 1 138 GLN N 1 138 GLN CA 1 138 GLN C 1 139 GLU N 117.00 157.00 130.22 114.51 157.98 2.49 8 0 "[ . 1 . 2]"
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