NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
378854 |
1hn6   |
4787 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1hn6
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 176
_TA_constraint_stats_list.Viol_count 797
_TA_constraint_stats_list.Viol_total 61744.29
_TA_constraint_stats_list.Viol_max 88.39
_TA_constraint_stats_list.Viol_rms 5.78
_TA_constraint_stats_list.Viol_average_all_restraints 0.88
_TA_constraint_stats_list.Viol_average_violations_only 3.87
_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 1 GLU C 1 2 VAL N 1 2 VAL CA 1 2 VAL C -180.00 -60.00 -114.54 -149.83 -60.28 . . 0 "[ . 1 . 2]"
2 . 1 2 VAL C 1 3 GLU N 1 3 GLU CA 1 3 GLU C -119.00 -59.00 -79.75 -120.20 -58.87 1.20 7 0 "[ . 1 . 2]"
3 . 1 3 GLU C 1 4 ASN N 1 4 ASN CA 1 4 ASN C -180.00 -60.00 -106.82 -171.97 -60.27 . . 0 "[ . 1 . 2]"
4 . 1 4 ASN C 1 5 ASN N 1 5 ASN CA 1 5 ASN C -180.00 -60.00 -124.56 -173.37 -60.44 . . 0 "[ . 1 . 2]"
5 . 1 5 ASN C 1 6 PHE N 1 6 PHE CA 1 6 PHE C -123.00 -63.00 -102.60 -79.32 -89.02 1.00 15 0 "[ . 1 . 2]"
6 . 1 7 PRO C 1 8 CYS N 1 8 CYS CA 1 8 CYS C -90.00 -30.00 -77.52 -93.27 -53.40 3.27 3 0 "[ . 1 . 2]"
7 . 1 8 CYS C 1 9 SER N 1 9 SER CA 1 9 SER C -98.00 -38.00 -78.29 -98.70 -64.81 0.70 17 0 "[ . 1 . 2]"
8 . 1 9 SER C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -92.00 -32.00 -71.10 -79.21 -64.62 . . 0 "[ . 1 . 2]"
9 . 1 10 LEU C 1 11 TYR N 1 11 TYR CA 1 11 TYR C -93.00 -33.00 -90.65 -94.28 -80.80 1.28 4 0 "[ . 1 . 2]"
10 . 1 13 ASP C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -106.00 -46.00 -71.46 -61.27 -61.64 . . 0 "[ . 1 . 2]"
11 . 1 14 GLU C 1 15 ILE N 1 15 ILE CA 1 15 ILE C 160.00 -80.00 -95.59 -102.34 -104.94 2.03 7 0 "[ . 1 . 2]"
12 . 1 15 ILE C 1 16 MET N 1 16 MET CA 1 16 MET C -88.00 -28.00 -66.53 -71.75 -59.64 . . 0 "[ . 1 . 2]"
13 . 1 16 MET C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -94.00 -34.00 -76.85 -90.72 -58.11 . . 0 "[ . 1 . 2]"
14 . 1 18 GLU C 1 19 ILE N 1 19 ILE CA 1 19 ILE C 160.00 -80.00 -135.64 170.64 -79.69 0.31 8 0 "[ . 1 . 2]"
15 . 1 19 ILE C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -90.00 -30.00 -80.14 -64.24 -71.10 1.76 13 0 "[ . 1 . 2]"
16 . 1 20 GLU C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -120.00 -60.00 -100.56 -124.55 -59.37 4.55 2 0 "[ . 1 . 2]"
17 . 1 21 ARG C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -90.00 -30.00 -74.16 -69.01 -71.43 1.48 13 0 "[ . 1 . 2]"
18 . 1 22 GLU C 1 23 SER N 1 23 SER CA 1 23 SER C -105.00 -45.00 -91.83 -106.83 -107.22 3.56 13 0 "[ . 1 . 2]"
19 . 1 23 SER C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -120.00 -60.00 -83.74 -66.27 -73.10 2.05 20 0 "[ . 1 . 2]"
20 . 1 25 ARG C 1 26 ILE N 1 26 ILE CA 1 26 ILE C -120.00 -60.00 -94.46 -121.18 -66.41 1.18 2 0 "[ . 1 . 2]"
21 . 1 26 ILE C 1 27 LYS N 1 27 LYS CA 1 27 LYS C -180.00 -60.00 -130.11 -179.35 -59.52 0.48 1 0 "[ . 1 . 2]"
22 . 1 27 LYS C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -180.00 -60.00 -108.61 179.70 -64.59 0.30 16 0 "[ . 1 . 2]"
23 . 1 28 LEU C 1 29 ASN N 1 29 ASN CA 1 29 ASN C -180.00 -60.00 -106.21 -168.59 -67.70 . . 0 "[ . 1 . 2]"
24 . 1 33 ASP C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -180.00 -60.00 -97.06 -82.01 -84.29 0.62 5 0 "[ . 1 . 2]"
25 . 1 35 GLY C 1 36 ASN N 1 36 ASN CA 1 36 ASN C -180.00 -60.00 -115.85 -91.12 -105.92 0.51 16 0 "[ . 1 . 2]"
26 . 1 36 ASN C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -180.00 -60.00 -96.69 -85.03 -94.10 0.11 19 0 "[ . 1 . 2]"
27 . 1 37 LYS C 1 38 LYS N 1 38 LYS CA 1 38 LYS C -118.00 -58.00 -101.53 -119.13 -64.83 1.13 17 0 "[ . 1 . 2]"
28 . 1 38 LYS C 1 39 ILE N 1 39 ILE CA 1 39 ILE C -134.00 -74.00 -117.24 -130.25 -133.07 0.95 12 0 "[ . 1 . 2]"
29 . 1 39 ILE C 1 40 ILE N 1 40 ILE CA 1 40 ILE C -147.00 -87.00 -122.67 -103.96 -112.70 1.73 16 0 "[ . 1 . 2]"
30 . 1 40 ILE C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -134.00 -74.00 -104.71 -137.13 -73.09 3.13 19 0 "[ . 1 . 2]"
31 . 1 42 PRO C 1 43 ARG N 1 43 ARG CA 1 43 ARG C -130.00 -70.00 -100.80 -133.41 -68.27 3.41 3 0 "[ . 1 . 2]"
32 . 1 43 ARG C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -135.00 -75.00 -95.54 -136.19 -73.26 1.74 13 0 "[ . 1 . 2]"
33 . 1 44 ILE C 1 45 PHE N 1 45 PHE CA 1 45 PHE C -124.00 -64.00 -90.14 -124.24 -63.57 0.43 9 0 "[ . 1 . 2]"
34 . 1 45 PHE C 1 46 ILE N 1 46 ILE CA 1 46 ILE C -154.00 -94.00 -111.14 -131.13 -133.19 2.21 17 0 "[ . 1 . 2]"
35 . 1 46 ILE C 1 47 SER N 1 47 SER CA 1 47 SER C -133.00 -73.00 -95.02 -101.08 -112.32 0.84 18 0 "[ . 1 . 2]"
36 . 1 47 SER C 1 48 ASP N 1 48 ASP CA 1 48 ASP C -180.00 -60.00 -70.99 -59.84 -69.91 2.98 3 0 "[ . 1 . 2]"
37 . 1 48 ASP C 1 49 ASP N 1 49 ASP CA 1 49 ASP C -140.00 -80.00 -136.96 -137.73 -139.27 2.02 13 0 "[ . 1 . 2]"
38 . 1 49 ASP C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -120.00 -20.00 -123.39 -123.47 -123.95 4.95 10 0 "[ . 1 . 2]"
39 . 1 50 LYS C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -98.00 -38.00 -94.69 -86.58 -93.34 2.52 1 0 "[ . 1 . 2]"
40 . 1 51 ASP C 1 52 SER N 1 52 SER CA 1 52 SER C -106.00 -46.00 -71.95 -83.63 -51.52 . . 0 "[ . 1 . 2]"
41 . 1 52 SER C 1 53 LEU N 1 53 LEU CA 1 53 LEU C -109.00 -49.00 -85.28 -109.64 -57.97 0.64 9 0 "[ . 1 . 2]"
42 . 1 54 LYS C 1 55 CYS N 1 55 CYS CA 1 55 CYS C -148.00 -88.00 -159.96 -164.40 -165.33 26.46 17 17 "[*** -******* ***+**2]"
43 . 1 56 PRO C 1 57 CYS N 1 57 CYS CA 1 57 CYS C -150.00 -90.00 -97.41 -106.24 -108.33 4.36 19 0 "[ . 1 . 2]"
44 . 1 59 PRO C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -137.00 -77.00 -94.69 -134.32 -77.35 . . 0 "[ . 1 . 2]"
45 . 1 60 GLU C 1 61 MET N 1 61 MET CA 1 61 MET C -130.00 -70.00 -93.39 -130.26 -66.41 3.59 19 0 "[ . 1 . 2]"
46 . 1 62 VAL C 1 63 SER N 1 63 SER CA 1 63 SER C -120.00 -20.00 -92.99 -112.81 -63.12 . . 0 "[ . 1 . 2]"
47 . 1 64 ASN C 1 65 SER N 1 65 SER CA 1 65 SER C -120.00 -20.00 -103.42 -117.60 -120.02 1.55 19 0 "[ . 1 . 2]"
48 . 1 66 THR C 1 67 CYS N 1 67 CYS CA 1 67 CYS C -150.00 -90.00 -96.72 -89.42 -94.64 2.64 4 0 "[ . 1 . 2]"
49 . 1 67 CYS C 1 68 ARG N 1 68 ARG CA 1 68 ARG C -143.00 -83.00 -129.14 -144.91 -93.23 1.91 2 0 "[ . 1 . 2]"
50 . 1 68 ARG C 1 69 PHE N 1 69 PHE CA 1 69 PHE C -159.00 -99.00 -131.46 -150.89 -98.58 0.42 6 0 "[ . 1 . 2]"
51 . 1 69 PHE C 1 70 PHE N 1 70 PHE CA 1 70 PHE C -150.00 -90.00 -92.85 -120.30 -88.24 1.76 17 0 "[ . 1 . 2]"
52 . 1 70 PHE C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -147.00 -87.00 -99.11 -121.77 -84.48 2.52 11 0 "[ . 1 . 2]"
53 . 1 71 VAL C 1 72 CYS N 1 72 CYS CA 1 72 CYS C -151.00 -91.00 -68.02 -82.55 -54.68 36.32 17 20 [****-***********+***]
54 . 1 72 CYS C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -141.00 -81.00 -149.13 -144.11 -148.74 29.32 11 11 "[* * .* * *+* *- ** 2]"
55 . 1 73 LYS C 1 74 CYS N 1 74 CYS CA 1 74 CYS C -150.00 -90.00 -100.17 -123.97 -88.77 1.23 19 0 "[ . 1 . 2]"
56 . 1 74 CYS C 1 75 VAL N 1 75 VAL CA 1 75 VAL C -146.00 -86.00 -106.59 -108.16 -111.81 2.15 19 0 "[ . 1 . 2]"
57 . 1 75 VAL C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -180.00 -60.00 -106.54 -173.33 -60.09 . . 0 "[ . 1 . 2]"
58 . 1 76 GLU C 1 77 ARG N 1 77 ARG CA 1 77 ARG C -180.00 -60.00 -95.61 -101.97 -132.43 0.26 17 0 "[ . 1 . 2]"
59 . 1 77 ARG C 1 78 ARG N 1 78 ARG CA 1 78 ARG C -180.00 -60.00 -114.09 -120.72 -153.90 0.01 4 0 "[ . 1 . 2]"
60 . 1 78 ARG C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -180.00 -60.00 -98.98 -81.06 -85.38 . . 0 "[ . 1 . 2]"
61 . 1 79 ALA C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -121.00 -61.00 -86.50 -112.79 -66.02 . . 0 "[ . 1 . 2]"
62 . 1 80 GLU C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -131.00 -71.00 -81.95 -112.77 -70.77 0.23 14 0 "[ . 1 . 2]"
63 . 1 81 VAL C 1 82 THR N 1 82 THR CA 1 82 THR C -180.00 -60.00 -69.64 -66.42 -68.45 0.72 5 0 "[ . 1 . 2]"
64 . 1 82 THR C 1 83 SER N 1 83 SER CA 1 83 SER C -180.00 -60.00 -116.04 -111.97 -125.20 0.54 10 0 "[ . 1 . 2]"
65 . 1 83 SER C 1 84 ASN N 1 84 ASN CA 1 84 ASN C -180.00 -60.00 -98.89 -143.12 -169.60 . . 0 "[ . 1 . 2]"
66 . 1 84 ASN C 1 85 ASN N 1 85 ASN CA 1 85 ASN C -125.00 -25.00 -89.96 -98.14 -104.20 0.56 14 0 "[ . 1 . 2]"
67 . 1 85 ASN C 1 86 GLU N 1 86 GLU CA 1 86 GLU C -180.00 -60.00 -133.22 -102.66 -121.89 . . 0 "[ . 1 . 2]"
68 . 1 86 GLU C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -130.00 -70.00 -84.01 -130.28 -72.23 0.28 10 0 "[ . 1 . 2]"
69 . 1 87 VAL C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -124.00 -64.00 -73.76 -64.61 -67.94 0.35 2 0 "[ . 1 . 2]"
70 . 1 88 VAL C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -119.00 -59.00 -69.09 -58.72 -60.04 0.28 2 0 "[ . 1 . 2]"
71 . 1 89 VAL C 1 90 LYS N 1 90 LYS CA 1 90 LYS C -180.00 -60.00 -116.22 -86.85 -149.94 . . 0 "[ . 1 . 2]"
72 . 1 90 LYS C 1 91 GLU N 1 91 GLU CA 1 91 GLU C -180.00 -60.00 -102.60 -91.79 -106.62 . . 0 "[ . 1 . 2]"
73 . 1 91 GLU C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -116.00 -56.00 -81.25 -75.88 -78.65 . . 0 "[ . 1 . 2]"
74 . 1 92 GLU C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -123.00 -63.00 -84.37 -123.42 -62.05 0.95 13 0 "[ . 1 . 2]"
75 . 1 93 TYR C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -111.00 -51.00 -79.38 -102.62 -60.94 . . 0 "[ . 1 . 2]"
76 . 1 104 LYS C 1 95 ASP N 1 95 ASP CA 1 95 ASP C -125.00 -25.00 -38.17 -96.85 -21.87 3.13 9 0 "[ . 1 . 2]"
77 . 1 95 ASP C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -180.00 -60.00 -98.29 -148.10 -152.28 0.22 7 0 "[ . 1 . 2]"
78 . 1 96 GLU C 1 97 TYR N 1 97 TYR CA 1 97 TYR C -150.00 -90.00 -118.34 -138.05 -141.60 2.21 19 0 "[ . 1 . 2]"
79 . 1 97 TYR C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -180.00 -60.00 -106.76 -172.73 -76.26 . . 0 "[ . 1 . 2]"
80 . 1 98 ALA C 1 99 ASP N 1 99 ASP CA 1 99 ASP C -180.00 -60.00 -114.75 -124.83 -142.51 . . 0 "[ . 1 . 2]"
81 . 1 99 ASP C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -140.00 -80.00 -101.12 -105.51 -106.86 1.33 5 0 "[ . 1 . 2]"
82 . 1 101 PRO C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -180.00 -60.00 -98.20 -111.33 -132.99 . . 0 "[ . 1 . 2]"
83 . 1 102 GLU C 1 103 HIS N 1 103 HIS CA 1 103 HIS C -180.00 -60.00 -117.32 -179.21 -62.92 . . 0 "[ . 1 . 2]"
84 . 1 3 GLU N 1 3 GLU CA 1 3 GLU C 1 4 ASN N 106.00 166.00 133.54 156.42 149.46 1.23 15 0 "[ . 1 . 2]"
85 . 1 6 PHE N 1 6 PHE CA 1 6 PHE C 1 7 PRO N 92.00 152.00 128.25 119.69 112.90 . . 0 "[ . 1 . 2]"
86 . 1 9 SER N 1 9 SER CA 1 9 SER C 1 10 LEU N -65.00 -5.00 -30.15 -32.78 -35.26 . . 0 "[ . 1 . 2]"
87 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 TYR N -69.00 -9.00 -24.93 -25.76 -26.30 . . 0 "[ . 1 . 2]"
88 . 1 11 TYR N 1 11 TYR CA 1 11 TYR C 1 12 LYS N -73.00 -13.00 -22.17 -33.94 -13.55 . . 0 "[ . 1 . 2]"
89 . 1 12 LYS N 1 12 LYS CA 1 12 LYS C 1 13 ASP N -65.00 -5.00 -45.37 -45.64 -46.81 . . 0 "[ . 1 . 2]"
90 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 MET N 40.00 -140.00 126.48 110.28 151.55 . . 0 "[ . 1 . 2]"
91 . 1 16 MET N 1 16 MET CA 1 16 MET C 1 17 LYS N -66.00 -6.00 -8.90 -35.70 -2.45 3.55 1 0 "[ . 1 . 2]"
92 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 GLU N -69.00 -9.00 -21.88 -44.53 -6.11 2.89 4 0 "[ . 1 . 2]"
93 . 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 GLU N 40.00 -140.00 132.27 -160.49 169.38 1.03 14 0 "[ . 1 . 2]"
94 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 LYS N -48.00 12.00 -1.05 1.91 1.83 2.97 8 0 "[ . 1 . 2]"
95 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 LYS N 95.00 155.00 124.49 94.47 156.77 1.77 8 0 "[ . 1 . 2]"
96 . 1 38 LYS N 1 38 LYS CA 1 38 LYS C 1 39 ILE N 99.00 159.00 107.46 97.57 124.79 1.43 14 0 "[ . 1 . 2]"
97 . 1 39 ILE N 1 39 ILE CA 1 39 ILE C 1 40 ILE N 95.00 155.00 139.84 115.75 98.36 0.50 20 0 "[ . 1 . 2]"
98 . 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 ALA N 98.00 158.00 144.24 145.86 141.27 2.88 11 0 "[ . 1 . 2]"
99 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 PRO N 100.00 160.00 127.10 97.70 157.44 2.30 3 0 "[ . 1 . 2]"
100 . 1 43 ARG N 1 43 ARG CA 1 43 ARG C 1 44 ILE N 91.00 151.00 123.93 146.35 144.48 3.05 11 0 "[ . 1 . 2]"
101 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 PHE N 104.00 164.00 145.53 103.81 165.46 1.46 1 0 "[ . 1 . 2]"
102 . 1 45 PHE N 1 45 PHE CA 1 45 PHE C 1 46 ILE N 97.00 157.00 154.35 157.78 157.56 1.36 16 0 "[ . 1 . 2]"
103 . 1 47 SER N 1 47 SER CA 1 47 SER C 1 48 ASP N 96.00 156.00 137.04 114.72 160.94 4.94 18 0 "[ . 1 . 2]"
104 . 1 49 ASP N 1 49 ASP CA 1 49 ASP C 1 50 LYS N 110.00 170.00 137.20 135.98 134.18 . . 0 "[ . 1 . 2]"
105 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 ASP N -100.00 0.00 -9.72 -49.51 1.76 1.76 13 0 "[ . 1 . 2]"
106 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 SER N -58.00 2.00 -20.30 -25.43 -31.05 0.35 20 0 "[ . 1 . 2]"
107 . 1 52 SER N 1 52 SER CA 1 52 SER C 1 53 LEU N -51.00 9.00 -38.89 -52.30 -23.85 1.30 8 0 "[ . 1 . 2]"
108 . 1 53 LEU N 1 53 LEU CA 1 53 LEU C 1 54 LYS N -53.00 7.00 -34.63 -48.84 0.05 . . 0 "[ . 1 . 2]"
109 . 1 55 CYS N 1 55 CYS CA 1 55 CYS C 1 56 PRO N 113.00 173.00 116.02 112.93 112.42 1.24 4 0 "[ . 1 . 2]"
110 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 MET N 93.00 153.00 135.74 154.42 153.50 3.99 9 0 "[ . 1 . 2]"
111 . 1 61 MET N 1 61 MET CA 1 61 MET C 1 62 VAL N 60.00 180.00 122.39 122.21 119.71 . . 0 "[ . 1 . 2]"
112 . 1 65 SER N 1 65 SER CA 1 65 SER C 1 66 THR N -100.00 0.00 -53.74 -92.71 -32.69 . . 0 "[ . 1 . 2]"
113 . 1 68 ARG N 1 68 ARG CA 1 68 ARG C 1 69 PHE N 105.00 165.00 113.43 114.19 112.51 2.14 6 0 "[ . 1 . 2]"
114 . 1 69 PHE N 1 69 PHE CA 1 69 PHE C 1 70 PHE N 123.00 -177.00 157.13 151.10 140.24 0.38 8 0 "[ . 1 . 2]"
115 . 1 70 PHE N 1 70 PHE CA 1 70 PHE C 1 71 VAL N 104.00 164.00 116.75 117.23 112.57 4.25 1 0 "[ . 1 . 2]"
116 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 CYS N 82.00 -178.00 150.67 161.71 156.41 0.62 13 0 "[ . 1 . 2]"
117 . 1 72 CYS N 1 72 CYS CA 1 72 CYS C 1 73 LYS N 97.00 157.00 128.47 142.55 138.11 . . 0 "[ . 1 . 2]"
118 . 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 CYS N 99.00 159.00 30.34 10.61 51.87 88.39 4 20 [***+*********-******]
119 . 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 GLU N 99.00 159.00 133.32 108.35 159.36 0.36 9 0 "[ . 1 . 2]"
120 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 VAL N 104.00 164.00 133.73 115.70 157.41 . . 0 "[ . 1 . 2]"
121 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 THR N 93.00 153.00 131.90 114.27 153.39 0.39 16 0 "[ . 1 . 2]"
122 . 1 85 ASN N 1 85 ASN CA 1 85 ASN C 1 86 GLU N -80.00 -20.00 -45.86 -39.54 -54.35 0.53 2 0 "[ . 1 . 2]"
123 . 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 VAL N 93.00 153.00 134.71 123.38 152.87 . . 0 "[ . 1 . 2]"
124 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 VAL N 97.00 157.00 129.20 111.87 148.82 . . 0 "[ . 1 . 2]"
125 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 LYS N 100.00 160.00 139.00 140.37 137.49 . . 0 "[ . 1 . 2]"
126 . 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 TYR N 110.00 170.00 137.31 133.73 123.04 0.60 13 0 "[ . 1 . 2]"
127 . 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 LYS N 86.00 146.00 135.88 114.61 147.95 1.95 4 0 "[ . 1 . 2]"
128 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 ASP N 92.00 152.00 104.27 88.94 138.52 3.06 12 0 "[ . 1 . 2]"
129 . 1 95 ASP N 1 95 ASP CA 1 95 ASP C 1 96 GLU N -100.00 0.00 -49.98 -39.24 -41.24 . . 0 "[ . 1 . 2]"
130 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 PRO N 97.00 157.00 123.40 120.72 116.26 . . 0 "[ . 1 . 2]"
131 . 1 1 GLU N 1 1 GLU CA 1 1 GLU CB 1 1 GLU CG 150.00 -150.00 -154.05 174.47 -146.18 3.82 14 0 "[ . 1 . 2]"
132 . 1 2 VAL N 1 2 VAL CA 1 2 VAL CB 1 2 VAL CG1 150.00 -150.00 -168.03 -149.62 -158.17 1.00 9 0 "[ . 1 . 2]"
133 . 1 3 GLU N 1 3 GLU CA 1 3 GLU CB 1 3 GLU CG 150.00 -150.00 -163.76 172.33 168.20 1.78 12 0 "[ . 1 . 2]"
134 . 1 12 LYS N 1 12 LYS CA 1 12 LYS CB 1 12 LYS CG 150.00 -150.00 176.61 175.27 171.33 1.41 8 0 "[ . 1 . 2]"
135 . 1 14 GLU N 1 14 GLU CA 1 14 GLU CB 1 14 GLU CG 150.00 -150.00 -156.10 -154.91 -161.10 2.86 14 0 "[ . 1 . 2]"
136 . 1 15 ILE N 1 15 ILE CA 1 15 ILE CB 1 15 ILE CG1 150.00 -150.00 177.81 163.81 -164.62 . . 0 "[ . 1 . 2]"
137 . 1 16 MET N 1 16 MET CA 1 16 MET CB 1 16 MET CG 150.00 -150.00 -160.07 149.81 -148.92 1.08 18 0 "[ . 1 . 2]"
138 . 1 19 ILE N 1 19 ILE CA 1 19 ILE CB 1 19 ILE CG1 150.00 -150.00 -169.26 -165.40 -167.42 . . 0 "[ . 1 . 2]"
139 . 1 20 GLU N 1 20 GLU CA 1 20 GLU CB 1 20 GLU CG 150.00 -150.00 -158.44 -168.51 -175.39 3.19 16 0 "[ . 1 . 2]"
140 . 1 21 ARG N 1 21 ARG CA 1 21 ARG CB 1 21 ARG CG 150.00 -150.00 -155.08 178.74 -147.85 2.15 20 0 "[ . 1 . 2]"
141 . 1 22 GLU N 1 22 GLU CA 1 22 GLU CB 1 22 GLU CG 150.00 -150.00 -160.47 147.41 -148.43 2.59 10 0 "[ . 1 . 2]"
142 . 1 24 LYS N 1 24 LYS CA 1 24 LYS CB 1 24 LYS CG 150.00 -150.00 -169.86 154.44 -148.81 1.19 20 0 "[ . 1 . 2]"
143 . 1 26 ILE N 1 26 ILE CA 1 26 ILE CB 1 26 ILE CG1 150.00 -150.00 176.03 175.93 175.11 0.67 8 0 "[ . 1 . 2]"
144 . 1 27 LYS N 1 27 LYS CA 1 27 LYS CB 1 27 LYS CG 150.00 -150.00 -156.84 -149.67 -150.03 3.47 4 0 "[ . 1 . 2]"
145 . 1 34 GLU N 1 34 GLU CA 1 34 GLU CB 1 34 GLU CG 150.00 -150.00 -155.84 -149.41 -149.81 4.90 9 0 "[ . 1 . 2]"
146 . 1 37 LYS N 1 37 LYS CA 1 37 LYS CB 1 37 LYS CG 150.00 -150.00 -166.68 -152.21 -159.81 0.84 11 0 "[ . 1 . 2]"
147 . 1 38 LYS N 1 38 LYS CA 1 38 LYS CB 1 38 LYS CG 150.00 -150.00 -172.28 166.92 155.33 1.13 7 0 "[ . 1 . 2]"
148 . 1 39 ILE N 1 39 ILE CA 1 39 ILE CB 1 39 ILE CG1 150.00 -150.00 -172.33 176.92 176.13 . . 0 "[ . 1 . 2]"
149 . 1 40 ILE N 1 40 ILE CA 1 40 ILE CB 1 40 ILE CG1 150.00 -150.00 -168.71 -174.40 179.80 1.70 19 0 "[ . 1 . 2]"
150 . 1 43 ARG N 1 43 ARG CA 1 43 ARG CB 1 43 ARG CG 150.00 -150.00 -163.88 166.15 -148.35 1.65 4 0 "[ . 1 . 2]"
151 . 1 50 LYS N 1 50 LYS CA 1 50 LYS CB 1 50 LYS CG 150.00 -150.00 -158.70 148.16 -148.67 1.84 20 0 "[ . 1 . 2]"
152 . 1 60 GLU N 1 60 GLU CA 1 60 GLU CB 1 60 GLU CG 150.00 -150.00 -168.77 -167.63 -177.62 2.39 17 0 "[ . 1 . 2]"
153 . 1 61 MET N 1 61 MET CA 1 61 MET CB 1 61 MET CG 150.00 -150.00 175.09 -174.62 176.93 0.67 12 0 "[ . 1 . 2]"
154 . 1 62 VAL N 1 62 VAL CA 1 62 VAL CB 1 62 VAL CG1 150.00 -150.00 178.73 152.19 -146.84 3.16 5 0 "[ . 1 . 2]"
155 . 1 68 ARG N 1 68 ARG CA 1 68 ARG CB 1 68 ARG CG 150.00 -150.00 -175.23 148.53 -146.44 3.56 14 0 "[ . 1 . 2]"
156 . 1 71 VAL N 1 71 VAL CA 1 71 VAL CB 1 71 VAL CG1 150.00 -150.00 -177.19 -149.96 -169.52 3.96 13 0 "[ . 1 . 2]"
157 . 1 75 VAL N 1 75 VAL CA 1 75 VAL CB 1 75 VAL CG1 150.00 -150.00 -157.55 -155.58 -156.50 0.60 19 0 "[ . 1 . 2]"
158 . 1 76 GLU N 1 76 GLU CA 1 76 GLU CB 1 76 GLU CG 150.00 -150.00 -160.19 -156.05 -160.22 2.53 18 0 "[ . 1 . 2]"
159 . 1 78 ARG N 1 78 ARG CA 1 78 ARG CB 1 78 ARG CG 150.00 -150.00 -165.97 165.74 -148.30 1.70 10 0 "[ . 1 . 2]"
160 . 1 80 GLU N 1 80 GLU CA 1 80 GLU CB 1 80 GLU CG 150.00 -150.00 -156.67 165.91 -146.72 3.28 5 0 "[ . 1 . 2]"
161 . 1 81 VAL N 1 81 VAL CA 1 81 VAL CB 1 81 VAL CG1 150.00 -150.00 -158.10 -156.56 -157.90 0.34 8 0 "[ . 1 . 2]"
162 . 1 82 THR N 1 82 THR CA 1 82 THR CB 1 82 THR OG1 150.00 -150.00 -174.63 -170.98 -173.00 0.94 8 0 "[ . 1 . 2]"
163 . 1 86 GLU N 1 86 GLU CA 1 86 GLU CB 1 86 GLU CG 150.00 -150.00 -154.28 -156.57 -160.31 1.92 7 0 "[ . 1 . 2]"
164 . 1 87 VAL N 1 87 VAL CA 1 87 VAL CB 1 87 VAL CG1 150.00 -150.00 -167.15 -167.76 -171.15 . . 0 "[ . 1 . 2]"
165 . 1 88 VAL N 1 88 VAL CA 1 88 VAL CB 1 88 VAL CG1 150.00 -150.00 -165.28 -177.65 -149.65 0.35 20 0 "[ . 1 . 2]"
166 . 1 89 VAL N 1 89 VAL CA 1 89 VAL CB 1 89 VAL CG1 150.00 -150.00 -155.48 -169.61 -149.58 0.42 19 0 "[ . 1 . 2]"
167 . 1 90 LYS N 1 90 LYS CA 1 90 LYS CB 1 90 LYS CG 150.00 -150.00 -155.54 -176.84 -149.03 0.97 11 0 "[ . 1 . 2]"
168 . 1 91 GLU N 1 91 GLU CA 1 91 GLU CB 1 91 GLU CG 150.00 -150.00 -152.46 -149.88 -155.70 2.34 10 0 "[ . 1 . 2]"
169 . 1 92 GLU N 1 92 GLU CA 1 92 GLU CB 1 92 GLU CG 150.00 -150.00 -154.83 -150.37 -153.08 2.78 18 0 "[ . 1 . 2]"
170 . 1 94 LYS N 1 94 LYS CA 1 94 LYS CB 1 94 LYS CG 150.00 -150.00 -156.96 178.84 -147.07 2.93 10 0 "[ . 1 . 2]"
171 . 1 96 GLU N 1 96 GLU CA 1 96 GLU CB 1 96 GLU CG 150.00 -150.00 -160.65 -148.64 -148.81 1.40 17 0 "[ . 1 . 2]"
172 . 1 100 ILE N 1 100 ILE CA 1 100 ILE CB 1 100 ILE CG1 150.00 -150.00 172.42 167.50 -179.46 . . 0 "[ . 1 . 2]"
173 . 1 55 CYS N 1 55 CYS CA 1 55 CYS CB 1 55 CYS SG 150.00 -150.00 151.40 147.09 167.55 2.91 12 0 "[ . 1 . 2]"
174 . 1 57 CYS N 1 57 CYS CA 1 57 CYS CB 1 57 CYS SG 30.00 90.00 90.14 92.51 92.44 3.59 3 0 "[ . 1 . 2]"
175 . 1 72 CYS N 1 72 CYS CA 1 72 CYS CB 1 72 CYS SG 150.00 -150.00 -174.52 -174.25 -175.70 . . 0 "[ . 1 . 2]"
176 . 1 74 CYS N 1 74 CYS CA 1 74 CYS CB 1 74 CYS SG 30.00 90.00 61.26 35.59 90.93 0.93 1 0 "[ . 1 . 2]"
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