NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
456135 |
2kuc   |
16731 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kuc
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 177
_TA_constraint_stats_list.Viol_count 472
_TA_constraint_stats_list.Viol_total 8264.46
_TA_constraint_stats_list.Viol_max 5.22
_TA_constraint_stats_list.Viol_rms 0.41
_TA_constraint_stats_list.Viol_average_all_restraints 0.12
_TA_constraint_stats_list.Viol_average_violations_only 0.88
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 8 GLY C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -127.00 -31.00 -72.36 -96.78 -57.86 . . 0 "[ . 1 . 2]"
2 . 1 9 ILE C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -131.00 -79.00 -97.86 -117.59 -130.51 2.09 14 0 "[ . 1 . 2]"
3 . 1 11 PHE C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -128.00 -68.00 -95.90 -119.52 -68.06 . . 0 "[ . 1 . 2]"
4 . 1 12 ARG C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -126.00 -82.00 -103.02 -121.12 -125.05 1.02 13 0 "[ . 1 . 2]"
5 . 1 13 GLU C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -149.00 -101.00 -129.75 -129.44 -135.74 . . 0 "[ . 1 . 2]"
6 . 1 14 LEU C 1 15 SER N 1 15 SER CA 1 15 SER C -171.00 -31.00 -72.88 -89.47 -57.54 . . 0 "[ . 1 . 2]"
7 . 1 15 SER C 1 16 PHE N 1 16 PHE CA 1 16 PHE C -65.00 -41.00 -56.42 -52.13 -53.34 . . 0 "[ . 1 . 2]"
8 . 1 16 PHE C 1 17 PRO N 1 17 PRO CA 1 17 PRO C -69.00 -49.00 -57.04 -51.04 -53.21 0.52 2 0 "[ . 1 . 2]"
9 . 1 17 PRO C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -78.00 -58.00 -61.98 -61.24 -62.87 0.73 3 0 "[ . 1 . 2]"
10 . 1 18 GLU C 1 19 ALA N 1 19 ALA CA 1 19 ALA C -72.00 -52.00 -62.83 -59.08 -61.03 . . 0 "[ . 1 . 2]"
11 . 1 19 ALA C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -74.00 -54.00 -62.00 -67.92 -57.14 . . 0 "[ . 1 . 2]"
12 . 1 20 LEU C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -72.00 -48.00 -59.50 -58.60 -60.56 . . 0 "[ . 1 . 2]"
13 . 1 21 LYS C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -71.00 -59.00 -61.13 -65.63 -68.32 1.21 11 0 "[ . 1 . 2]"
14 . 1 22 ARG C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -78.00 -46.00 -62.61 -70.63 -54.65 . . 0 "[ . 1 . 2]"
15 . 1 23 ALA C 1 24 GLU N 1 24 GLU CA 1 24 GLU C -76.00 -52.00 -64.47 -76.14 -54.57 0.14 13 0 "[ . 1 . 2]"
16 . 1 24 GLU C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -90.00 -50.00 -80.42 -90.17 -69.46 0.17 4 0 "[ . 1 . 2]"
17 . 1 25 VAL C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -108.00 -48.00 -89.97 -109.55 -63.94 1.55 20 0 "[ . 1 . 2]"
18 . 1 29 LEU C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -163.00 -71.00 -96.50 -116.83 -123.24 . . 0 "[ . 1 . 2]"
19 . 1 30 LEU C 1 31 PHE N 1 31 PHE CA 1 31 PHE C -143.00 -91.00 -102.39 -122.12 -90.56 0.44 4 0 "[ . 1 . 2]"
20 . 1 31 PHE C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -135.00 -91.00 -99.71 -108.28 -93.12 . . 0 "[ . 1 . 2]"
21 . 1 32 VAL C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -128.00 -80.00 -91.16 -109.56 -79.75 0.25 5 0 "[ . 1 . 2]"
22 . 1 33 ASP C 1 34 CYS N 1 34 CYS CA 1 34 CYS C -122.00 -62.00 -111.83 -124.03 -94.78 2.03 16 0 "[ . 1 . 2]"
23 . 1 34 CYS C 1 35 PHE N 1 35 PHE CA 1 35 PHE C -159.00 -103.00 -125.95 -123.68 -123.91 . . 0 "[ . 1 . 2]"
24 . 1 35 PHE C 1 36 THR N 1 36 THR CA 1 36 THR C -146.00 -102.00 -100.20 -106.06 -98.35 3.65 4 0 "[ . 1 . 2]"
25 . 1 36 THR C 1 37 THR N 1 37 THR CA 1 37 THR C -95.00 -43.00 -68.05 -90.50 -43.48 . . 0 "[ . 1 . 2]"
26 . 1 40 GLY C 1 41 PRO N 1 41 PRO CA 1 41 PRO C -66.00 -50.00 -56.52 -53.76 -54.82 0.62 13 0 "[ . 1 . 2]"
27 . 1 41 PRO C 1 42 CYS N 1 42 CYS CA 1 42 CYS C -80.00 -48.00 -62.92 -81.12 -52.69 1.12 10 0 "[ . 1 . 2]"
28 . 1 42 CYS C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -79.00 -47.00 -70.85 -75.36 -79.00 0.99 14 0 "[ . 1 . 2]"
29 . 1 43 LYS C 1 44 ARG N 1 44 ARG CA 1 44 ARG C -75.00 -55.00 -64.29 -75.24 -56.79 0.24 6 0 "[ . 1 . 2]"
30 . 1 44 ARG C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -80.00 -52.00 -63.90 -58.60 -60.37 . . 0 "[ . 1 . 2]"
31 . 1 45 LEU C 1 46 SER N 1 46 SER CA 1 46 SER C -83.00 -43.00 -62.21 -59.55 -61.04 . . 0 "[ . 1 . 2]"
32 . 1 46 SER C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -95.00 -47.00 -72.00 -88.99 -56.17 . . 0 "[ . 1 . 2]"
33 . 1 47 LYS C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -108.00 -48.00 -99.65 -110.78 -81.35 2.78 10 0 "[ . 1 . 2]"
34 . 1 48 VAL C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -82.00 -46.00 -73.54 -67.47 -71.01 2.78 20 0 "[ . 1 . 2]"
35 . 1 49 VAL C 1 50 PHE N 1 50 PHE CA 1 50 PHE C -118.00 -50.00 -84.55 -113.92 -68.75 . . 0 "[ . 1 . 2]"
36 . 1 52 ASP C 1 53 SER N 1 53 SER CA 1 53 SER C -69.00 -49.00 -68.41 -70.92 -57.62 1.92 12 0 "[ . 1 . 2]"
37 . 1 53 SER C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -70.00 -54.00 -68.94 -61.94 -65.53 2.05 13 0 "[ . 1 . 2]"
38 . 1 54 LEU C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -89.00 -49.00 -63.29 -60.47 -61.61 . . 0 "[ . 1 . 2]"
39 . 1 55 VAL C 1 56 ALA N 1 56 ALA CA 1 56 ALA C -71.00 -51.00 -59.94 -61.34 -62.79 . . 0 "[ . 1 . 2]"
40 . 1 56 ALA C 1 57 ASP N 1 57 ASP CA 1 57 ASP C -72.00 -56.00 -63.45 -72.41 -57.14 0.41 18 0 "[ . 1 . 2]"
41 . 1 57 ASP C 1 58 TYR N 1 58 TYR CA 1 58 TYR C -70.00 -54.00 -58.70 -65.49 -54.19 . . 0 "[ . 1 . 2]"
42 . 1 58 TYR C 1 59 PHE N 1 59 PHE CA 1 59 PHE C -78.00 -50.00 -69.70 -61.70 -64.51 0.26 20 0 "[ . 1 . 2]"
43 . 1 59 PHE C 1 60 ASN N 1 60 ASN CA 1 60 ASN C -72.00 -56.00 -65.47 -72.23 -57.95 0.23 10 0 "[ . 1 . 2]"
44 . 1 60 ASN C 1 61 ARG N 1 61 ARG CA 1 61 ARG C -88.00 -52.00 -84.42 -83.76 -86.75 2.49 20 0 "[ . 1 . 2]"
45 . 1 61 ARG C 1 62 HIS N 1 62 HIS CA 1 62 HIS C -112.00 -60.00 -85.38 -95.55 -73.68 . . 0 "[ . 1 . 2]"
46 . 1 63 PHE C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -152.00 -36.00 -88.88 -87.41 -89.61 . . 0 "[ . 1 . 2]"
47 . 1 64 VAL C 1 65 ASN N 1 65 ASN CA 1 65 ASN C -165.00 -81.00 -85.28 -97.18 -79.98 1.02 20 0 "[ . 1 . 2]"
48 . 1 65 ASN C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -153.00 -97.00 -113.82 -136.29 -150.10 0.10 2 0 "[ . 1 . 2]"
49 . 1 66 LEU C 1 67 LYS N 1 67 LYS CA 1 67 LYS C -151.00 -87.00 -105.38 -121.88 -91.23 . . 0 "[ . 1 . 2]"
50 . 1 67 LYS C 1 68 MET N 1 68 MET CA 1 68 MET C -172.00 -88.00 -135.50 -148.93 -102.86 . . 0 "[ . 1 . 2]"
51 . 1 68 MET C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -128.00 -68.00 -83.43 -102.99 -66.31 1.69 5 0 "[ . 1 . 2]"
52 . 1 69 ASP C 1 70 MET N 1 70 MET CA 1 70 MET C -139.00 -51.00 -89.55 -103.85 -115.01 . . 0 "[ . 1 . 2]"
53 . 1 70 MET C 1 71 GLU N 1 71 GLU CA 1 71 GLU C 172.00 -116.00 -116.91 -141.83 -112.76 3.24 20 0 "[ . 1 . 2]"
54 . 1 74 GLU C 1 75 GLY N 1 75 GLY CA 1 75 GLY C -80.00 -48.00 -61.27 -72.56 -55.16 . . 0 "[ . 1 . 2]"
55 . 1 75 GLY C 1 76 VAL N 1 76 VAL CA 1 76 VAL C -67.00 -55.00 -63.17 -69.20 -54.76 2.20 12 0 "[ . 1 . 2]"
56 . 1 76 VAL C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -75.00 -55.00 -69.03 -67.04 -67.52 0.35 9 0 "[ . 1 . 2]"
57 . 1 77 GLU C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -72.00 -56.00 -64.16 -62.73 -64.42 0.11 14 0 "[ . 1 . 2]"
58 . 1 78 LEU C 1 79 ARG N 1 79 ARG CA 1 79 ARG C -71.00 -55.00 -58.17 -62.16 -54.37 0.63 6 0 "[ . 1 . 2]"
59 . 1 79 ARG C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -76.00 -56.00 -75.44 -74.64 -76.14 1.17 4 0 "[ . 1 . 2]"
60 . 1 80 LYS C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -80.00 -48.00 -68.94 -69.47 -71.39 0.79 15 0 "[ . 1 . 2]"
61 . 1 81 LYS C 1 82 TYR N 1 82 TYR CA 1 82 TYR C -128.00 -80.00 -99.53 -115.54 -87.18 . . 0 "[ . 1 . 2]"
62 . 1 84 VAL C 1 85 HIS N 1 85 HIS CA 1 85 HIS C -179.00 -63.00 -126.18 -143.01 -109.33 . . 0 "[ . 1 . 2]"
63 . 1 86 ALA C 1 87 TYR N 1 87 TYR CA 1 87 TYR C -161.00 -93.00 -97.01 -128.94 -90.76 2.24 16 0 "[ . 1 . 2]"
64 . 1 87 TYR C 1 88 PRO N 1 88 PRO CA 1 88 PRO C -150.00 -66.00 -91.74 -98.45 -76.59 . . 0 "[ . 1 . 2]"
65 . 1 88 PRO C 1 89 THR N 1 89 THR CA 1 89 THR C -152.00 -88.00 -133.03 -128.48 -131.66 . . 0 "[ . 1 . 2]"
66 . 1 89 THR C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -154.00 -70.00 -101.46 -125.92 -83.90 . . 0 "[ . 1 . 2]"
67 . 1 90 LEU C 1 91 LEU N 1 91 LEU CA 1 91 LEU C -175.00 -91.00 -111.13 -98.94 -102.56 . . 0 "[ . 1 . 2]"
68 . 1 91 LEU C 1 92 PHE N 1 92 PHE CA 1 92 PHE C -144.00 -84.00 -110.41 -121.25 -97.54 . . 0 "[ . 1 . 2]"
69 . 1 92 PHE C 1 93 ILE N 1 93 ILE CA 1 93 ILE C -151.00 -103.00 -116.22 -135.83 -102.35 0.65 10 0 "[ . 1 . 2]"
70 . 1 93 ILE C 1 94 ASN N 1 94 ASN CA 1 94 ASN C -111.00 -63.00 -87.00 -105.34 -74.52 . . 0 "[ . 1 . 2]"
71 . 1 94 ASN C 1 95 SER N 1 95 SER CA 1 95 SER C -90.00 -38.00 -66.24 -65.47 -66.72 . . 0 "[ . 1 . 2]"
72 . 1 95 SER C 1 96 SER N 1 96 SER CA 1 96 SER C -110.00 -58.00 -79.68 -93.56 -66.25 . . 0 "[ . 1 . 2]"
73 . 1 100 VAL C 1 101 TYR N 1 101 TYR CA 1 101 TYR C -171.00 -127.00 -153.19 -155.56 -161.68 0.31 16 0 "[ . 1 . 2]"
74 . 1 101 TYR C 1 102 ARG N 1 102 ARG CA 1 102 ARG C -170.00 -86.00 -113.28 -103.15 -106.25 . . 0 "[ . 1 . 2]"
75 . 1 102 ARG C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -152.00 -84.00 -119.46 -152.69 -91.82 0.69 8 0 "[ . 1 . 2]"
76 . 1 103 LEU C 1 104 VAL N 1 104 VAL CA 1 104 VAL C -134.00 -86.00 -102.18 -124.03 -85.57 0.43 5 0 "[ . 1 . 2]"
77 . 1 105 GLY C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -160.00 -52.00 -136.87 -101.43 -116.93 0.27 15 0 "[ . 1 . 2]"
78 . 1 106 ALA C 1 107 GLU N 1 107 GLU CA 1 107 GLU C -179.00 -79.00 -105.79 -117.83 -119.89 . . 0 "[ . 1 . 2]"
79 . 1 108 ASP C 1 109 ALA N 1 109 ALA CA 1 109 ALA C -65.00 -37.00 -48.33 -53.79 -43.89 . . 0 "[ . 1 . 2]"
80 . 1 109 ALA C 1 110 PRO N 1 110 PRO CA 1 110 PRO C -63.00 -51.00 -61.69 -64.13 -58.20 1.13 18 0 "[ . 1 . 2]"
81 . 1 110 PRO C 1 111 GLU N 1 111 GLU CA 1 111 GLU C -74.00 -58.00 -71.06 -76.02 -65.49 2.02 20 0 "[ . 1 . 2]"
82 . 1 111 GLU C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -78.00 -42.00 -62.30 -69.06 -52.63 . . 0 "[ . 1 . 2]"
83 . 1 112 LEU C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -73.00 -49.00 -58.48 -52.86 -53.98 . . 0 "[ . 1 . 2]"
84 . 1 113 LEU C 1 114 LYS N 1 114 LYS CA 1 114 LYS C -73.00 -49.00 -65.42 -63.04 -64.31 0.14 5 0 "[ . 1 . 2]"
85 . 1 114 LYS C 1 115 LYS N 1 115 LYS CA 1 115 LYS C -70.00 -58.00 -63.56 -70.15 -57.17 0.83 18 0 "[ . 1 . 2]"
86 . 1 115 LYS C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -73.00 -57.00 -67.14 -73.53 -59.89 0.53 19 0 "[ . 1 . 2]"
87 . 1 116 VAL C 1 117 LYS N 1 117 LYS CA 1 117 LYS C -66.00 -54.00 -64.43 -64.19 -64.73 1.61 11 0 "[ . 1 . 2]"
88 . 1 117 LYS C 1 118 LEU N 1 118 LEU CA 1 118 LEU C -77.00 -61.00 -71.88 -77.60 -63.98 0.60 2 0 "[ . 1 . 2]"
89 . 1 118 LEU C 1 119 GLY N 1 119 GLY CA 1 119 GLY C -91.00 -47.00 -78.42 -91.58 -64.77 0.58 12 0 "[ . 1 . 2]"
90 . 1 119 GLY C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -129.00 -45.00 -88.99 -122.57 -66.31 . . 0 "[ . 1 . 2]"
91 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 ALA N 115.00 147.00 128.26 131.41 126.11 1.01 11 0 "[ . 1 . 2]"
92 . 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 PHE N 81.00 121.00 104.42 83.40 123.15 2.15 11 0 "[ . 1 . 2]"
93 . 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 GLU N 106.00 -178.00 138.95 115.00 163.08 . . 0 "[ . 1 . 2]"
94 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 LEU N 95.00 163.00 99.48 91.53 121.25 3.47 14 0 "[ . 1 . 2]"
95 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 SER N 139.00 167.00 165.07 167.17 165.85 2.03 15 0 "[ . 1 . 2]"
96 . 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 PHE N 94.00 -170.00 160.01 138.70 176.69 . . 0 "[ . 1 . 2]"
97 . 1 16 PHE N 1 16 PHE CA 1 16 PHE C 1 17 PRO N -63.00 -27.00 -54.30 -53.63 -54.18 . . 0 "[ . 1 . 2]"
98 . 1 17 PRO N 1 17 PRO CA 1 17 PRO C 1 18 GLU N -53.00 -21.00 -40.36 -49.88 -32.95 . . 0 "[ . 1 . 2]"
99 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 ALA N -54.00 -22.00 -50.12 -55.02 -35.98 1.02 9 0 "[ . 1 . 2]"
100 . 1 19 ALA N 1 19 ALA CA 1 19 ALA C 1 20 LEU N -61.00 -33.00 -40.40 -45.36 -49.24 0.17 6 0 "[ . 1 . 2]"
101 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 LYS N -54.00 -26.00 -47.87 -54.01 -36.56 0.01 11 0 "[ . 1 . 2]"
102 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 ARG N -58.00 -30.00 -45.43 -52.31 -39.93 . . 0 "[ . 1 . 2]"
103 . 1 22 ARG N 1 22 ARG CA 1 22 ARG C 1 23 ALA N -53.00 -25.00 -41.95 -49.01 -36.25 . . 0 "[ . 1 . 2]"
104 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 GLU N -67.00 -19.00 -40.14 -37.35 -39.51 . . 0 "[ . 1 . 2]"
105 . 1 24 GLU N 1 24 GLU CA 1 24 GLU C 1 25 VAL N -51.00 -31.00 -43.01 -41.42 -43.33 0.24 8 0 "[ . 1 . 2]"
106 . 1 25 VAL N 1 25 VAL CA 1 25 VAL C 1 26 GLU N -55.00 -27.00 -42.26 -34.71 -35.52 2.35 20 0 "[ . 1 . 2]"
107 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 ASP N -36.00 16.00 -24.22 -36.97 -37.43 2.31 4 0 "[ . 1 . 2]"
108 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 PHE N 102.00 154.00 118.80 101.20 143.78 0.80 15 0 "[ . 1 . 2]"
109 . 1 31 PHE N 1 31 PHE CA 1 31 PHE C 1 32 VAL N 102.00 150.00 106.44 114.78 111.38 0.90 1 0 "[ . 1 . 2]"
110 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 ASP N 103.00 147.00 116.51 116.84 113.68 . . 0 "[ . 1 . 2]"
111 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 CYS N 89.00 137.00 109.59 107.09 105.04 . . 0 "[ . 1 . 2]"
112 . 1 34 CYS N 1 34 CYS CA 1 34 CYS C 1 35 PHE N 114.00 142.00 115.15 111.53 142.44 2.47 16 0 "[ . 1 . 2]"
113 . 1 35 PHE N 1 35 PHE CA 1 35 PHE C 1 36 THR N 139.00 -177.00 157.18 157.93 157.05 . . 0 "[ . 1 . 2]"
114 . 1 36 THR N 1 36 THR CA 1 36 THR C 1 37 THR N 141.00 173.00 156.14 151.63 149.05 0.20 6 0 "[ . 1 . 2]"
115 . 1 37 THR N 1 37 THR CA 1 37 THR C 1 38 TRP N -65.00 15.00 -7.21 -16.57 -21.19 1.56 3 0 "[ . 1 . 2]"
116 . 1 41 PRO N 1 41 PRO CA 1 41 PRO C 1 42 CYS N -45.00 -25.00 -34.67 -46.33 -24.42 1.33 10 0 "[ . 1 . 2]"
117 . 1 42 CYS N 1 42 CYS CA 1 42 CYS C 1 43 LYS N -59.00 -19.00 -34.75 -37.25 -41.28 . . 0 "[ . 1 . 2]"
118 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 ARG N -65.00 -25.00 -36.21 -54.02 -23.24 1.76 1 0 "[ . 1 . 2]"
119 . 1 44 ARG N 1 44 ARG CA 1 44 ARG C 1 45 LEU N -59.00 -23.00 -40.65 -43.20 -45.59 . . 0 "[ . 1 . 2]"
120 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 SER N -65.00 -21.00 -40.99 -55.75 -20.07 0.93 8 0 "[ . 1 . 2]"
121 . 1 46 SER N 1 46 SER CA 1 46 SER C 1 47 LYS N -55.00 -31.00 -31.27 -28.84 -29.21 2.39 2 0 "[ . 1 . 2]"
122 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 VAL N -68.00 -4.00 -44.09 -50.43 -56.39 . . 0 "[ . 1 . 2]"
123 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 VAL N -52.00 -20.00 -50.34 -56.44 -40.79 4.44 20 0 "[ . 1 . 2]"
124 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 PHE N -58.00 -22.00 -38.98 -58.69 -21.61 0.69 14 0 "[ . 1 . 2]"
125 . 1 50 PHE N 1 50 PHE CA 1 50 PHE C 1 51 LYS N -48.00 48.00 18.29 -29.01 48.55 0.55 19 0 "[ . 1 . 2]"
126 . 1 53 SER N 1 53 SER CA 1 53 SER C 1 54 LEU N -63.00 -19.00 -37.17 -55.53 -25.69 . . 0 "[ . 1 . 2]"
127 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 VAL N -52.00 -36.00 -47.29 -52.44 -39.32 0.44 10 0 "[ . 1 . 2]"
128 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 ALA N -61.00 -21.00 -42.26 -50.03 -32.81 . . 0 "[ . 1 . 2]"
129 . 1 56 ALA N 1 56 ALA CA 1 56 ALA C 1 57 ASP N -51.00 -35.00 -47.61 -52.89 -39.49 1.89 13 0 "[ . 1 . 2]"
130 . 1 57 ASP N 1 57 ASP CA 1 57 ASP C 1 58 TYR N -51.00 -31.00 -42.30 -41.20 -42.44 . . 0 "[ . 1 . 2]"
131 . 1 58 TYR N 1 58 TYR CA 1 58 TYR C 1 59 PHE N -59.00 -31.00 -51.14 -59.27 -42.93 0.27 10 0 "[ . 1 . 2]"
132 . 1 59 PHE N 1 59 PHE CA 1 59 PHE C 1 60 ASN N -59.00 -31.00 -42.98 -47.01 -48.58 1.12 9 0 "[ . 1 . 2]"
133 . 1 60 ASN N 1 60 ASN CA 1 60 ASN C 1 61 ARG N -51.00 -31.00 -35.87 -49.01 -30.07 0.93 12 0 "[ . 1 . 2]"
134 . 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 HIS N -53.00 -25.00 -40.52 -24.81 -34.89 1.24 14 0 "[ . 1 . 2]"
135 . 1 62 HIS N 1 62 HIS CA 1 62 HIS C 1 63 PHE N -41.00 -1.00 -24.49 -41.73 -9.78 0.73 3 0 "[ . 1 . 2]"
136 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 ASN N 111.00 143.00 117.30 109.79 133.69 1.21 17 0 "[ . 1 . 2]"
137 . 1 65 ASN N 1 65 ASN CA 1 65 ASN C 1 66 LEU N 96.00 164.00 110.03 94.94 142.44 1.06 2 0 "[ . 1 . 2]"
138 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 LYS N 126.00 158.00 130.16 125.08 143.09 0.92 20 0 "[ . 1 . 2]"
139 . 1 67 LYS N 1 67 LYS CA 1 67 LYS C 1 68 MET N 118.00 150.00 127.40 122.03 121.01 1.57 1 0 "[ . 1 . 2]"
140 . 1 68 MET N 1 68 MET CA 1 68 MET C 1 69 ASP N 94.00 158.00 135.11 150.31 140.83 1.25 9 0 "[ . 1 . 2]"
141 . 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 MET N 95.00 155.00 153.93 136.06 160.22 5.22 19 1 "[ . 1 . +2]"
142 . 1 70 MET N 1 70 MET CA 1 70 MET C 1 71 GLU N -64.00 4.00 -8.67 -28.30 6.09 2.09 3 0 "[ . 1 . 2]"
143 . 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 GLY N 112.00 180.00 146.54 111.67 -179.74 0.33 7 0 "[ . 1 . 2]"
144 . 1 75 GLY N 1 75 GLY CA 1 75 GLY C 1 76 VAL N -57.00 -33.00 -38.35 -57.00 -31.14 1.86 15 0 "[ . 1 . 2]"
145 . 1 76 VAL N 1 76 VAL CA 1 76 VAL C 1 77 GLU N -56.00 -20.00 -32.44 -38.53 -19.66 0.34 8 0 "[ . 1 . 2]"
146 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 LEU N -64.00 -24.00 -47.08 -54.90 -37.73 . . 0 "[ . 1 . 2]"
147 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 ARG N -60.00 -32.00 -36.99 -47.32 -30.74 1.26 6 0 "[ . 1 . 2]"
148 . 1 79 ARG N 1 79 ARG CA 1 79 ARG C 1 80 LYS N -55.00 -27.00 -46.35 -55.72 -36.99 0.72 19 0 "[ . 1 . 2]"
149 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 LYS N -54.00 -18.00 -31.36 -32.08 -34.48 . . 0 "[ . 1 . 2]"
150 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 TYR N -49.00 -33.00 -45.13 -50.67 -32.84 1.67 6 0 "[ . 1 . 2]"
151 . 1 82 TYR N 1 82 TYR CA 1 82 TYR C 1 83 GLY N -28.00 36.00 -4.08 -28.29 16.06 0.29 20 0 "[ . 1 . 2]"
152 . 1 89 THR N 1 89 THR CA 1 89 THR C 1 90 LEU N 106.00 150.00 121.87 136.25 129.61 0.57 7 0 "[ . 1 . 2]"
153 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 LEU N 103.00 151.00 120.83 108.99 143.36 . . 0 "[ . 1 . 2]"
154 . 1 91 LEU N 1 91 LEU CA 1 91 LEU C 1 92 PHE N 121.00 -179.00 129.30 120.33 141.81 0.67 2 0 "[ . 1 . 2]"
155 . 1 92 PHE N 1 92 PHE CA 1 92 PHE C 1 93 ILE N 107.00 143.00 110.08 127.67 118.82 1.98 11 0 "[ . 1 . 2]"
156 . 1 93 ILE N 1 93 ILE CA 1 93 ILE C 1 94 ASN N 117.00 165.00 137.22 118.84 154.33 . . 0 "[ . 1 . 2]"
157 . 1 94 ASN N 1 94 ASN CA 1 94 ASN C 1 95 SER N 162.00 -158.00 175.68 176.68 172.02 0.10 19 0 "[ . 1 . 2]"
158 . 1 95 SER N 1 95 SER CA 1 95 SER C 1 96 SER N -44.00 16.00 -22.63 -19.01 -19.05 . . 0 "[ . 1 . 2]"
159 . 1 96 SER N 1 96 SER CA 1 96 SER C 1 97 GLY N -56.00 28.00 -9.44 -11.93 -14.64 0.24 8 0 "[ . 1 . 2]"
160 . 1 101 TYR N 1 101 TYR CA 1 101 TYR C 1 102 ARG N 123.00 171.00 141.69 125.61 165.07 . . 0 "[ . 1 . 2]"
161 . 1 102 ARG N 1 102 ARG CA 1 102 ARG C 1 103 LEU N 115.00 155.00 130.53 117.81 114.18 1.38 13 0 "[ . 1 . 2]"
162 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 VAL N 108.00 136.00 112.97 107.51 107.23 1.50 15 0 "[ . 1 . 2]"
163 . 1 104 VAL N 1 104 VAL CA 1 104 VAL C 1 105 GLY N 102.00 146.00 115.09 113.66 109.91 0.81 10 0 "[ . 1 . 2]"
164 . 1 106 ALA N 1 106 ALA CA 1 106 ALA C 1 107 GLU N 115.00 163.00 133.03 141.55 138.92 0.33 20 0 "[ . 1 . 2]"
165 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 ASP N 136.00 -176.00 -177.83 -175.88 -178.52 1.99 16 0 "[ . 1 . 2]"
166 . 1 109 ALA N 1 109 ALA CA 1 109 ALA C 1 110 PRO N -60.00 -40.00 -54.69 -57.49 -50.87 . . 0 "[ . 1 . 2]"
167 . 1 110 PRO N 1 110 PRO CA 1 110 PRO C 1 111 GLU N -52.00 -24.00 -43.13 -53.82 -35.93 1.82 20 0 "[ . 1 . 2]"
168 . 1 111 GLU N 1 111 GLU CA 1 111 GLU C 1 112 LEU N -57.00 -21.00 -34.60 -38.81 -39.56 . . 0 "[ . 1 . 2]"
169 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 LEU N -61.00 -33.00 -50.01 -47.31 -48.83 . . 0 "[ . 1 . 2]"
170 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 LYS N -52.00 -32.00 -38.08 -49.85 -31.17 0.83 10 0 "[ . 1 . 2]"
171 . 1 114 LYS N 1 114 LYS CA 1 114 LYS C 1 115 LYS N -52.00 -36.00 -44.62 -52.28 -35.07 0.93 8 0 "[ . 1 . 2]"
172 . 1 115 LYS N 1 115 LYS CA 1 115 LYS C 1 116 VAL N -57.00 -25.00 -40.83 -53.91 -27.56 . . 0 "[ . 1 . 2]"
173 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 LYS N -52.00 -36.00 -44.52 -48.90 -50.69 1.37 12 0 "[ . 1 . 2]"
174 . 1 117 LYS N 1 117 LYS CA 1 117 LYS C 1 118 LEU N -55.00 -35.00 -45.21 -41.42 -42.85 0.53 11 0 "[ . 1 . 2]"
175 . 1 118 LEU N 1 118 LEU CA 1 118 LEU C 1 119 GLY N -60.00 -8.00 -22.57 -22.64 -24.80 0.57 8 0 "[ . 1 . 2]"
176 . 1 119 GLY N 1 119 GLY CA 1 119 GLY C 1 120 VAL N -58.00 -10.00 -36.94 -38.15 -40.70 . . 0 "[ . 1 . 2]"
177 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 GLU N -52.00 16.00 -31.75 -52.87 2.81 0.87 19 0 "[ . 1 . 2]"
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