NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399007 |
1tuj   |
5030 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1tuj
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 180
_TA_constraint_stats_list.Viol_count 513
_TA_constraint_stats_list.Viol_total 11391.58
_TA_constraint_stats_list.Viol_max 13.17
_TA_constraint_stats_list.Viol_rms 1.01
_TA_constraint_stats_list.Viol_average_all_restraints 0.22
_TA_constraint_stats_list.Viol_average_violations_only 1.31
_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 ILE C 1 2 ASP N 1 2 ASP CA 1 2 ASP C -125.00 -45.00 -79.83 -125.57 -59.14 0.57 4 0 "[ . 1 . ]"
2 . 1 2 ASP C 1 3 GLN N 1 3 GLN CA 1 3 GLN C -84.00 -40.00 -62.61 -78.87 -51.00 . . 0 "[ . 1 . ]"
3 . 1 3 GLN C 1 4 ASP N 1 4 ASP CA 1 4 ASP C -83.00 -43.00 -66.26 -83.85 -49.41 0.85 2 0 "[ . 1 . ]"
4 . 1 4 ASP C 1 5 THR N 1 5 THR CA 1 5 THR C -88.00 -48.00 -59.34 -64.91 -81.54 0.90 1 0 "[ . 1 . ]"
5 . 1 5 THR C 1 6 VAL N 1 6 VAL CA 1 6 VAL C -86.00 -46.00 -85.26 -89.96 -71.82 3.96 17 0 "[ . 1 . ]"
6 . 1 6 VAL C 1 7 VAL N 1 7 VAL CA 1 7 VAL C -87.00 -47.00 -62.85 -65.13 -73.96 . . 0 "[ . 1 . ]"
7 . 1 7 VAL C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -81.00 -41.00 -56.80 -63.77 -75.24 . . 0 "[ . 1 . ]"
8 . 1 8 ALA C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -88.00 -48.00 -87.95 -90.44 -79.53 2.44 17 0 "[ . 1 . ]"
9 . 1 9 LYS C 1 10 TYR N 1 10 TYR CA 1 10 TYR C -87.00 -47.00 -53.29 -55.47 -56.21 . . 0 "[ . 1 . ]"
10 . 1 10 TYR C 1 11 MET N 1 11 MET CA 1 11 MET C -85.00 -45.00 -80.36 -80.48 -81.29 0.54 14 0 "[ . 1 . ]"
11 . 1 11 MET C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -84.00 -44.00 -65.36 -80.60 -58.60 . . 0 "[ . 1 . ]"
12 . 1 12 GLU C 1 13 TYR N 1 13 TYR CA 1 13 TYR C -100.00 -40.00 -58.28 -70.04 -70.24 . . 0 "[ . 1 . ]"
13 . 1 17 ASP C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -89.00 -41.00 -85.71 -89.42 -90.02 1.02 1 0 "[ . 1 . ]"
14 . 1 18 ILE C 1 19 MET N 1 19 MET CA 1 19 MET C -82.00 -42.00 -51.22 -57.87 -62.30 . . 0 "[ . 1 . ]"
15 . 1 19 MET C 1 20 PRO N 1 20 PRO CA 1 20 PRO C -118.00 -38.00 -48.31 -60.85 -68.90 0.17 4 0 "[ . 1 . ]"
16 . 1 20 PRO C 1 21 CYS N 1 21 CYS CA 1 21 CYS C -88.00 -48.00 -70.39 -58.30 -62.56 0.43 15 0 "[ . 1 . ]"
17 . 1 21 CYS C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -89.00 -49.00 -58.89 -74.86 -49.04 . . 0 "[ . 1 . ]"
18 . 1 22 ALA C 1 23 ASP N 1 23 ASP CA 1 23 ASP C -83.00 -43.00 -81.64 -77.83 -81.71 2.11 15 0 "[ . 1 . ]"
19 . 1 23 ASP C 1 24 GLU N 1 24 GLU CA 1 24 GLU C -85.00 -45.00 -67.75 -85.66 -59.64 0.66 15 0 "[ . 1 . ]"
20 . 1 24 GLU C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -134.00 -58.00 -99.66 -125.47 -86.17 . . 0 "[ . 1 . ]"
21 . 1 25 LEU C 1 26 HIS N 1 26 HIS CA 1 26 HIS C -175.00 -65.00 -158.56 176.96 176.71 8.82 15 13 "[*** .**-** ***+* ]"
22 . 1 26 HIS C 1 27 ILE N 1 27 ILE CA 1 27 ILE C -175.00 -65.00 -148.08 -160.97 -133.96 . . 0 "[ . 1 . ]"
23 . 1 27 ILE C 1 28 SER N 1 28 SER CA 1 28 SER C -85.00 -35.00 -74.58 -63.97 -81.88 1.24 8 0 "[ . 1 . ]"
24 . 1 28 SER C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -105.00 -25.00 -56.64 -73.84 -40.84 . . 0 "[ . 1 . ]"
25 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 ASP N -78.00 10.00 -18.84 -41.42 10.69 0.69 11 0 "[ . 1 . ]"
26 . 1 29 GLU C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -131.00 -11.00 -77.90 -63.19 -70.12 . . 0 "[ . 1 . ]"
27 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 ILE N -93.00 27.00 -48.36 -42.73 -47.08 . . 0 "[ . 1 . ]"
28 . 1 30 ASP C 1 31 ILE N 1 31 ILE CA 1 31 ILE C -112.00 -32.00 -86.34 -112.15 -67.92 0.15 13 0 "[ . 1 . ]"
29 . 1 31 ILE N 1 31 ILE CA 1 31 ILE C 1 32 ALA N -72.00 8.00 -10.54 -40.27 -5.44 . . 0 "[ . 1 . ]"
30 . 1 31 ILE C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -130.00 -26.00 -60.18 -76.83 -46.97 . . 0 "[ . 1 . ]"
31 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 THR N -89.00 31.00 -25.71 -18.71 -29.28 . . 0 "[ . 1 . ]"
32 . 1 36 GLN C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -85.00 -45.00 -80.00 -74.17 -78.27 2.93 11 0 "[ . 1 . ]"
33 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 ALA N -74.00 10.00 -61.66 -68.56 -72.96 2.43 1 0 "[ . 1 . ]"
34 . 1 38 ALA C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -103.00 -47.00 -71.66 -104.03 -46.07 1.03 2 0 "[ . 1 . ]"
35 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 ASN N -59.00 17.00 -52.52 -64.70 0.62 5.70 13 1 "[ . 1 + . ]"
36 . 1 39 LYS C 1 40 ASN N 1 40 ASN CA 1 40 ASN C -125.00 -69.00 -118.40 -128.94 -71.63 3.94 13 0 "[ . 1 . ]"
37 . 1 40 ASN N 1 40 ASN CA 1 40 ASN C 1 41 GLY N -25.00 31.00 7.01 9.90 5.12 3.24 11 0 "[ . 1 . ]"
38 . 1 40 ASN C 1 41 GLY N 1 41 GLY CA 1 41 GLY C 57.00 109.00 104.72 109.37 105.29 6.84 11 2 "[ . 1+ -. ]"
39 . 1 41 GLY N 1 41 GLY CA 1 41 GLY C 1 42 ALA N -15.00 33.00 -10.41 -21.07 19.14 6.07 13 1 "[ . 1 + . ]"
40 . 1 41 GLY C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -85.00 -35.00 -86.61 -92.55 -82.96 7.55 13 1 "[ . 1 + . ]"
41 . 1 44 MET C 1 45 SER N 1 45 SER CA 1 45 SER C -89.00 -49.00 -66.08 -92.41 -48.03 3.41 11 0 "[ . 1 . ]"
42 . 1 45 SER C 1 46 GLN N 1 46 GLN CA 1 46 GLN C -87.00 -47.00 -85.36 -87.15 -87.26 1.74 12 0 "[ . 1 . ]"
43 . 1 46 GLN C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -89.00 -41.00 -66.33 -68.56 -70.11 . . 0 "[ . 1 . ]"
44 . 1 49 CYS C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -86.00 -46.00 -49.31 -53.94 -44.35 1.65 8 0 "[ . 1 . ]"
45 . 1 50 LEU C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -84.00 -44.00 -77.24 -84.26 -64.68 0.26 2 0 "[ . 1 . ]"
46 . 1 51 LYS C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -105.00 -41.00 -74.18 -72.12 -74.00 . . 0 "[ . 1 . ]"
47 . 1 52 ALA C 1 53 CYS N 1 53 CYS CA 1 53 CYS C -89.00 -49.00 -66.07 -61.06 -63.35 . . 0 "[ . 1 . ]"
48 . 1 53 CYS C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -87.00 -47.00 -66.72 -63.55 -65.86 . . 0 "[ . 1 . ]"
49 . 1 54 VAL C 1 55 MET N 1 55 MET CA 1 55 MET C -80.00 -40.00 -67.20 -72.68 -75.38 . . 0 "[ . 1 . ]"
50 . 1 55 MET C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -88.00 -48.00 -65.18 -61.86 -64.38 . . 0 "[ . 1 . ]"
51 . 1 56 LYS C 1 57 ARG N 1 57 ARG CA 1 57 ARG C -86.00 -46.00 -71.37 -86.06 -61.74 0.06 4 0 "[ . 1 . ]"
52 . 1 57 ARG C 1 58 ILE N 1 58 ILE CA 1 58 ILE C -113.00 -73.00 -103.26 -113.29 -91.55 0.29 10 0 "[ . 1 . ]"
53 . 1 60 MET C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -167.00 -95.00 -150.43 -166.81 -124.93 . . 0 "[ . 1 . ]"
54 . 1 61 LEU C 1 62 LYS N 1 62 LYS CA 1 62 LYS C -137.00 -85.00 -99.18 -124.14 -84.16 0.84 6 0 "[ . 1 . ]"
55 . 1 64 THR C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -164.00 -60.00 -102.89 -84.55 -91.00 . . 0 "[ . 1 . ]"
56 . 1 65 GLU C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -168.00 -68.00 -82.40 -78.91 -84.15 0.88 17 0 "[ . 1 . ]"
57 . 1 66 LEU C 1 67 TYR N 1 67 TYR CA 1 67 TYR C -149.00 -53.00 -119.53 -147.07 -80.73 . . 0 "[ . 1 . ]"
58 . 1 68 VAL C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -88.00 -48.00 -65.30 -79.19 -53.15 . . 0 "[ . 1 . ]"
59 . 1 69 GLU C 1 70 PRO N 1 70 PRO CA 1 70 PRO C -81.00 -41.00 -64.75 -77.26 -52.65 . . 0 "[ . 1 . ]"
60 . 1 70 PRO C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -97.00 -41.00 -70.22 -91.53 -55.89 . . 0 "[ . 1 . ]"
61 . 1 71 VAL C 1 72 TYR N 1 72 TYR CA 1 72 TYR C -85.00 -45.00 -56.44 -53.02 -53.77 . . 0 "[ . 1 . ]"
62 . 1 72 TYR C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -85.00 -45.00 -82.27 -78.85 -80.67 1.00 8 0 "[ . 1 . ]"
63 . 1 73 LYS C 1 74 MET N 1 74 MET CA 1 74 MET C -86.00 -46.00 -74.72 -78.63 -80.40 . . 0 "[ . 1 . ]"
64 . 1 74 MET C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -89.00 -49.00 -50.84 -53.69 -59.39 0.68 14 0 "[ . 1 . ]"
65 . 1 75 ILE C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -82.00 -42.00 -60.60 -70.39 -53.80 . . 0 "[ . 1 . ]"
66 . 1 76 GLU C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -88.00 -48.00 -85.88 -84.83 -86.35 0.12 10 0 "[ . 1 . ]"
67 . 1 77 VAL C 1 78 VAL N 1 78 VAL CA 1 78 VAL C -87.00 -47.00 -59.89 -47.54 -48.53 0.48 13 0 "[ . 1 . ]"
68 . 1 81 GLY C 1 82 ASN N 1 82 ASN CA 1 82 ASN C -128.00 -68.00 -112.19 -107.11 -110.16 0.05 4 0 "[ . 1 . ]"
69 . 1 82 ASN C 1 83 ALA N 1 83 ALA CA 1 83 ALA C -81.00 -41.00 -73.29 -70.37 -77.36 0.57 17 0 "[ . 1 . ]"
70 . 1 83 ALA C 1 84 ASP N 1 84 ASP CA 1 84 ASP C -84.00 -44.00 -81.96 -84.81 -72.45 0.81 17 0 "[ . 1 . ]"
71 . 1 84 ASP C 1 85 ASP N 1 85 ASP CA 1 85 ASP C -87.00 -47.00 -57.83 -62.90 -53.02 . . 0 "[ . 1 . ]"
72 . 1 85 ASP C 1 86 ILE N 1 86 ILE CA 1 86 ILE C -87.00 -47.00 -81.19 -76.56 -77.68 . . 0 "[ . 1 . ]"
73 . 1 86 ILE C 1 87 GLN N 1 87 GLN CA 1 87 GLN C -81.00 -41.00 -77.07 -81.66 -52.81 0.66 10 0 "[ . 1 . ]"
74 . 1 87 GLN C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -83.00 -43.00 -77.29 -73.70 -74.80 0.97 7 0 "[ . 1 . ]"
75 . 1 88 LEU C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -87.00 -47.00 -58.79 -70.43 -52.27 . . 0 "[ . 1 . ]"
76 . 1 89 VAL C 1 90 LYS N 1 90 LYS CA 1 90 LYS C -82.00 -42.00 -56.50 -55.11 -56.82 . . 0 "[ . 1 . ]"
77 . 1 90 LYS C 1 91 GLY N 1 91 GLY CA 1 91 GLY C -87.00 -47.00 -83.03 -87.57 -72.90 0.57 17 0 "[ . 1 . ]"
78 . 1 91 GLY C 1 92 ILE N 1 92 ILE CA 1 92 ILE C -85.00 -45.00 -66.86 -74.38 -60.18 . . 0 "[ . 1 . ]"
79 . 1 92 ILE C 1 93 ALA N 1 93 ALA CA 1 93 ALA C -85.00 -45.00 -63.60 -76.90 -58.34 . . 0 "[ . 1 . ]"
80 . 1 93 ALA C 1 94 ASN N 1 94 ASN CA 1 94 ASN C -84.00 -44.00 -73.57 -84.68 -58.55 0.68 16 0 "[ . 1 . ]"
81 . 1 94 ASN C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -82.00 -42.00 -68.45 -63.15 -65.42 0.54 3 0 "[ . 1 . ]"
82 . 1 95 GLU C 1 96 CYS N 1 96 CYS CA 1 96 CYS C -86.00 -46.00 -81.31 -79.40 -80.10 1.25 9 0 "[ . 1 . ]"
83 . 1 96 CYS C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -87.00 -47.00 -64.39 -76.12 -77.15 . . 0 "[ . 1 . ]"
84 . 1 97 ILE C 1 98 GLU N 1 98 GLU CA 1 98 GLU C -93.00 -41.00 -71.24 -65.61 -66.52 0.20 12 0 "[ . 1 . ]"
85 . 1 102 GLY C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -145.00 -61.00 -70.30 -125.22 -59.79 1.21 6 0 "[ . 1 . ]"
86 . 1 104 THR C 1 105 ASP N 1 105 ASP CA 1 105 ASP C -111.00 -47.00 -91.71 -74.41 -76.35 . . 0 "[ . 1 . ]"
87 . 1 107 CYS C 1 108 ASN N 1 108 ASN CA 1 108 ASN C -88.00 -48.00 -71.12 -68.66 -70.09 . . 0 "[ . 1 . ]"
88 . 1 108 ASN C 1 109 ILE N 1 109 ILE CA 1 109 ILE C -86.00 -46.00 -63.47 -74.01 -51.31 . . 0 "[ . 1 . ]"
89 . 1 109 ILE C 1 110 GLY N 1 110 GLY CA 1 110 GLY C -86.00 -46.00 -70.94 -86.33 -61.25 0.33 11 0 "[ . 1 . ]"
90 . 1 110 GLY C 1 111 ASN N 1 111 ASN CA 1 111 ASN C -89.00 -49.00 -55.71 -54.83 -56.92 0.64 5 0 "[ . 1 . ]"
91 . 1 111 ASN C 1 112 LYS N 1 112 LYS CA 1 112 LYS C -87.00 -47.00 -71.59 -88.15 -53.59 1.15 13 0 "[ . 1 . ]"
92 . 1 112 LYS C 1 113 TYR N 1 113 TYR CA 1 113 TYR C -86.00 -46.00 -78.81 -70.11 -73.72 1.19 4 0 "[ . 1 . ]"
93 . 1 113 TYR C 1 114 THR N 1 114 THR CA 1 114 THR C -91.00 -47.00 -55.93 -69.37 -79.71 0.79 6 0 "[ . 1 . ]"
94 . 1 114 THR C 1 115 ASP N 1 115 ASP CA 1 115 ASP C -116.00 -36.00 -47.20 -44.93 -45.92 0.68 3 0 "[ . 1 . ]"
95 . 1 115 ASP C 1 116 CYS N 1 116 CYS CA 1 116 CYS C -90.00 -50.00 -62.32 -85.31 -49.84 0.16 13 0 "[ . 1 . ]"
96 . 1 116 CYS C 1 117 TYR N 1 117 TYR CA 1 117 TYR C -85.00 -45.00 -57.31 -57.60 -60.31 . . 0 "[ . 1 . ]"
97 . 1 117 TYR C 1 118 ILE N 1 118 ILE CA 1 118 ILE C -85.00 -45.00 -81.29 -83.77 -84.56 0.35 14 0 "[ . 1 . ]"
98 . 1 118 ILE C 1 119 GLU N 1 119 GLU CA 1 119 GLU C -84.00 -44.00 -69.02 -65.76 -68.49 . . 0 "[ . 1 . ]"
99 . 1 119 GLU C 1 120 LYS N 1 120 LYS CA 1 120 LYS C -86.00 -46.00 -86.67 -87.36 -85.13 1.36 5 0 "[ . 1 . ]"
100 . 1 120 LYS C 1 121 LEU N 1 121 LEU CA 1 121 LEU C -100.00 -48.00 -91.44 -86.32 -91.00 0.16 11 0 "[ . 1 . ]"
101 . 1 2 ASP N 1 2 ASP CA 1 2 ASP C 1 3 GLN N 83.00 143.00 133.40 104.46 143.19 0.19 1 0 "[ . 1 . ]"
102 . 1 3 GLN N 1 3 GLN CA 1 3 GLN C 1 4 ASP N -60.00 -4.00 -23.59 -24.85 -32.45 . . 0 "[ . 1 . ]"
103 . 1 4 ASP N 1 4 ASP CA 1 4 ASP C 1 5 THR N -57.00 -17.00 -44.40 -57.00 -26.70 . . 0 "[ . 1 . ]"
104 . 1 5 THR N 1 5 THR CA 1 5 THR C 1 6 VAL N -61.00 -21.00 -28.55 -41.93 -20.67 0.33 8 0 "[ . 1 . ]"
105 . 1 6 VAL N 1 6 VAL CA 1 6 VAL C 1 7 VAL N -63.00 -23.00 -63.93 -67.36 -51.41 4.36 17 0 "[ . 1 . ]"
106 . 1 7 VAL N 1 7 VAL CA 1 7 VAL C 1 8 ALA N -62.00 -22.00 -58.38 -62.93 -30.42 0.93 16 0 "[ . 1 . ]"
107 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 LYS N -60.00 -20.00 -28.35 -31.18 -31.42 . . 0 "[ . 1 . ]"
108 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 TYR N -59.00 -19.00 -58.40 -59.60 -54.60 0.60 7 0 "[ . 1 . ]"
109 . 1 10 TYR N 1 10 TYR CA 1 10 TYR C 1 11 MET N -58.00 -18.00 -25.37 -24.70 -28.25 . . 0 "[ . 1 . ]"
110 . 1 11 MET N 1 11 MET CA 1 11 MET C 1 12 GLU N -62.00 -22.00 -57.72 -62.55 -40.57 0.55 8 0 "[ . 1 . ]"
111 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 TYR N -64.00 -24.00 -32.41 -54.52 -23.48 0.52 9 0 "[ . 1 . ]"
112 . 1 13 TYR N 1 13 TYR CA 1 13 TYR C 1 14 LEU N -50.00 -10.00 -35.58 -48.19 -21.06 . . 0 "[ . 1 . ]"
113 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 MET N -66.00 -14.00 -39.34 -29.11 -31.61 . . 0 "[ . 1 . ]"
114 . 1 19 MET N 1 19 MET CA 1 19 MET C 1 20 PRO N -63.00 -23.00 -46.56 -52.73 -31.99 . . 0 "[ . 1 . ]"
115 . 1 20 PRO N 1 20 PRO CA 1 20 PRO C 1 21 CYS N -67.00 17.00 -50.89 -63.35 -35.49 . . 0 "[ . 1 . ]"
116 . 1 21 CYS N 1 21 CYS CA 1 21 CYS C 1 22 ALA N -56.00 -16.00 -33.89 -46.27 -52.70 0.96 11 0 "[ . 1 . ]"
117 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 ASP N -62.00 -2.00 -33.00 -50.33 -2.73 . . 0 "[ . 1 . ]"
118 . 1 23 ASP N 1 23 ASP CA 1 23 ASP C 1 24 GLU N -57.00 -17.00 -25.70 -15.97 -16.12 1.12 2 0 "[ . 1 . ]"
119 . 1 24 GLU N 1 24 GLU CA 1 24 GLU C 1 25 LEU N -54.00 -10.00 -50.03 -52.59 -54.14 0.70 15 0 "[ . 1 . ]"
120 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 HIS N -30.00 38.00 -20.03 -41.07 -41.34 13.17 13 13 "[*** .***** *+*-* ]"
121 . 1 45 SER N 1 45 SER CA 1 45 SER C 1 46 GLN N -57.00 -13.00 -52.90 -58.75 -40.47 1.75 12 0 "[ . 1 . ]"
122 . 1 46 GLN N 1 46 GLN CA 1 46 GLN C 1 47 LEU N -65.00 -13.00 -19.21 -39.96 -12.14 0.86 8 0 "[ . 1 . ]"
123 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 GLY N -73.00 -5.00 -35.36 -30.92 -35.31 . . 0 "[ . 1 . ]"
124 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 LYS N -66.00 -6.00 -46.54 -42.68 -44.37 . . 0 "[ . 1 . ]"
125 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 ALA N -60.00 -20.00 -23.69 -30.60 -20.36 . . 0 "[ . 1 . ]"
126 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 CYS N -64.00 8.00 -15.52 -24.73 4.69 . . 0 "[ . 1 . ]"
127 . 1 53 CYS N 1 53 CYS CA 1 53 CYS C 1 54 VAL N -59.00 -11.00 -34.38 -46.24 -25.45 . . 0 "[ . 1 . ]"
128 . 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 MET N -59.00 -19.00 -26.35 -36.87 -20.19 . . 0 "[ . 1 . ]"
129 . 1 55 MET N 1 55 MET CA 1 55 MET C 1 56 LYS N -65.00 -25.00 -51.41 -65.05 -40.42 0.05 10 0 "[ . 1 . ]"
130 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 ARG N -56.00 -16.00 -19.18 -27.30 -15.34 0.66 10 0 "[ . 1 . ]"
131 . 1 57 ARG N 1 57 ARG CA 1 57 ARG C 1 58 ILE N -53.00 -9.00 -34.92 -31.30 -32.59 . . 0 "[ . 1 . ]"
132 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 GLU N -34.00 34.00 26.31 13.98 34.91 0.91 9 0 "[ . 1 . ]"
133 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 LYS N 100.00 156.00 104.55 109.77 108.77 1.21 4 0 "[ . 1 . ]"
134 . 1 62 LYS N 1 62 LYS CA 1 62 LYS C 1 63 GLY N 78.00 162.00 82.25 76.56 104.67 1.44 3 0 "[ . 1 . ]"
135 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 LEU N 92.00 -168.00 114.39 110.22 109.26 . . 0 "[ . 1 . ]"
136 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 TYR N 110.00 174.00 133.34 131.19 115.60 0.01 16 0 "[ . 1 . ]"
137 . 1 67 TYR N 1 67 TYR CA 1 67 TYR C 1 68 VAL N 101.00 -167.00 172.12 136.04 -166.86 0.14 15 0 "[ . 1 . ]"
138 . 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 PRO N -61.00 -21.00 -50.91 -52.86 -53.64 . . 0 "[ . 1 . ]"
139 . 1 70 PRO N 1 70 PRO CA 1 70 PRO C 1 71 VAL N -54.00 -14.00 -29.19 -25.21 -28.23 0.33 10 0 "[ . 1 . ]"
140 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 TYR N -62.00 -18.00 -46.45 -53.64 -39.44 . . 0 "[ . 1 . ]"
141 . 1 72 TYR N 1 72 TYR CA 1 72 TYR C 1 73 LYS N -63.00 -23.00 -23.38 -22.16 -22.21 1.31 11 0 "[ . 1 . ]"
142 . 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 MET N -63.00 -23.00 -40.41 -48.99 -30.08 . . 0 "[ . 1 . ]"
143 . 1 74 MET N 1 74 MET CA 1 74 MET C 1 75 ILE N -63.00 -23.00 -41.12 -50.49 -30.10 . . 0 "[ . 1 . ]"
144 . 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 GLU N -62.00 -22.00 -25.60 -22.05 -22.64 0.16 2 0 "[ . 1 . ]"
145 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 VAL N -59.00 -19.00 -58.60 -59.71 -54.72 0.71 12 0 "[ . 1 . ]"
146 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 VAL N -65.00 -25.00 -33.83 -41.64 -44.86 0.44 6 0 "[ . 1 . ]"
147 . 1 78 VAL N 1 78 VAL CA 1 78 VAL C 1 79 HIS N -53.00 -9.00 -13.49 -26.51 -27.19 1.61 7 0 "[ . 1 . ]"
148 . 1 82 ASN N 1 82 ASN CA 1 82 ASN C 1 83 ALA N 87.00 179.00 141.63 110.28 155.30 . . 0 "[ . 1 . ]"
149 . 1 83 ALA N 1 83 ALA CA 1 83 ALA C 1 84 ASP N -57.00 -13.00 -30.47 -30.51 -33.60 . . 0 "[ . 1 . ]"
150 . 1 84 ASP N 1 84 ASP CA 1 84 ASP C 1 85 ASP N -57.00 -17.00 -26.74 -28.47 -28.96 . . 0 "[ . 1 . ]"
151 . 1 85 ASP N 1 85 ASP CA 1 85 ASP C 1 86 ILE N -61.00 -21.00 -28.80 -30.73 -31.88 . . 0 "[ . 1 . ]"
152 . 1 86 ILE N 1 86 ILE CA 1 86 ILE C 1 87 GLN N -63.00 -23.00 -31.52 -31.76 -32.76 . . 0 "[ . 1 . ]"
153 . 1 87 GLN N 1 87 GLN CA 1 87 GLN C 1 88 LEU N -60.00 -20.00 -22.17 -19.42 -19.76 0.81 2 0 "[ . 1 . ]"
154 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 VAL N -63.00 -23.00 -56.66 -63.24 -44.68 0.24 15 0 "[ . 1 . ]"
155 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 LYS N -62.00 -22.00 -33.06 -41.98 -23.59 . . 0 "[ . 1 . ]"
156 . 1 90 LYS N 1 90 LYS CA 1 90 LYS C 1 91 GLY N -58.00 -14.00 -36.31 -41.95 -46.62 . . 0 "[ . 1 . ]"
157 . 1 91 GLY N 1 91 GLY CA 1 91 GLY C 1 92 ILE N -59.00 -19.00 -25.11 -23.32 -24.19 0.12 7 0 "[ . 1 . ]"
158 . 1 92 ILE N 1 92 ILE CA 1 92 ILE C 1 93 ALA N -61.00 -21.00 -38.12 -38.01 -39.91 . . 0 "[ . 1 . ]"
159 . 1 93 ALA N 1 93 ALA CA 1 93 ALA C 1 94 ASN N -56.00 -16.00 -23.75 -26.98 -29.48 0.11 12 0 "[ . 1 . ]"
160 . 1 94 ASN N 1 94 ASN CA 1 94 ASN C 1 95 GLU N -61.00 -21.00 -32.60 -33.56 -36.24 . . 0 "[ . 1 . ]"
161 . 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 CYS N -59.00 -19.00 -26.65 -39.18 -18.14 0.86 4 0 "[ . 1 . ]"
162 . 1 96 CYS N 1 96 CYS CA 1 96 CYS C 1 97 ILE N -57.00 -17.00 -37.89 -22.16 -27.65 . . 0 "[ . 1 . ]"
163 . 1 97 ILE N 1 97 ILE CA 1 97 ILE C 1 98 GLU N -49.00 -9.00 -33.85 -49.51 -18.09 0.51 13 0 "[ . 1 . ]"
164 . 1 98 GLU N 1 98 GLU CA 1 98 GLU C 1 99 ASN N -53.00 -13.00 -30.14 -52.35 -12.89 0.11 12 0 "[ . 1 . ]"
165 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 THR N 97.00 -179.00 168.20 -179.37 178.07 0.63 5 0 "[ . 1 . ]"
166 . 1 105 ASP N 1 105 ASP CA 1 105 ASP C 1 106 GLU N 73.00 -167.00 137.46 119.29 147.41 . . 0 "[ . 1 . ]"
167 . 1 108 ASN N 1 108 ASN CA 1 108 ASN C 1 109 ILE N -64.00 -8.00 -42.62 -43.87 -44.05 . . 0 "[ . 1 . ]"
168 . 1 109 ILE N 1 109 ILE CA 1 109 ILE C 1 110 GLY N -60.00 -20.00 -41.42 -36.71 -38.85 . . 0 "[ . 1 . ]"
169 . 1 110 GLY N 1 110 GLY CA 1 110 GLY C 1 111 ASN N -56.00 -16.00 -46.00 -57.17 -29.22 1.17 13 0 "[ . 1 . ]"
170 . 1 111 ASN N 1 111 ASN CA 1 111 ASN C 1 112 LYS N -61.00 -5.00 -40.05 -24.62 -30.39 . . 0 "[ . 1 . ]"
171 . 1 112 LYS N 1 112 LYS CA 1 112 LYS C 1 113 TYR N -59.00 -19.00 -33.08 -47.56 -20.16 . . 0 "[ . 1 . ]"
172 . 1 113 TYR N 1 113 TYR CA 1 113 TYR C 1 114 THR N -64.00 -24.00 -57.81 -65.90 -24.68 1.90 14 0 "[ . 1 . ]"
173 . 1 114 THR N 1 114 THR CA 1 114 THR C 1 115 ASP N -59.00 -19.00 -40.43 -46.18 -46.88 . . 0 "[ . 1 . ]"
174 . 1 115 ASP N 1 115 ASP CA 1 115 ASP C 1 116 CYS N -72.00 16.00 -60.32 -54.54 -56.51 0.75 6 0 "[ . 1 . ]"
175 . 1 116 CYS N 1 116 CYS CA 1 116 CYS C 1 117 TYR N -62.00 -22.00 -38.88 -49.27 -24.27 . . 0 "[ . 1 . ]"
176 . 1 117 TYR N 1 117 TYR CA 1 117 TYR C 1 118 ILE N -58.00 -18.00 -36.94 -58.59 -25.68 0.59 16 0 "[ . 1 . ]"
177 . 1 118 ILE N 1 118 ILE CA 1 118 ILE C 1 119 GLU N -59.00 -15.00 -24.32 -22.00 -25.94 . . 0 "[ . 1 . ]"
178 . 1 119 GLU N 1 119 GLU CA 1 119 GLU C 1 120 LYS N -59.00 -19.00 -54.99 -60.11 -44.71 1.11 6 0 "[ . 1 . ]"
179 . 1 120 LYS N 1 120 LYS CA 1 120 LYS C 1 121 LEU N -58.00 -18.00 -51.53 -56.53 -58.06 0.56 1 0 "[ . 1 . ]"
180 . 1 121 LEU N 1 121 LEU CA 1 121 LEU C 1 122 PHE N -51.00 -11.00 -16.16 -12.02 -14.61 2.93 11 0 "[ . 1 . ]"
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