NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
398711 |
1tnw   |
4080 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1tnw
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 197
_TA_constraint_stats_list.Viol_count 894
_TA_constraint_stats_list.Viol_total 19015.48
_TA_constraint_stats_list.Viol_max 4.16
_TA_constraint_stats_list.Viol_rms 0.50
_TA_constraint_stats_list.Viol_average_all_restraints 0.18
_TA_constraint_stats_list.Viol_average_violations_only 0.92
_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 5 ASP C 1 6 GLN N 1 6 GLN CA 1 6 GLN C -70.00 -50.00 -69.82 -71.71 -63.61 1.71 7 0 "[ . 1 . 2 ]"
2 . 1 6 GLN C 1 7 GLN N 1 7 GLN CA 1 7 GLN C -70.00 -50.00 -70.45 -71.98 -68.14 1.98 12 0 "[ . 1 . 2 ]"
3 . 1 7 GLN C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -70.00 -50.00 -68.15 -69.54 -69.70 0.72 6 0 "[ . 1 . 2 ]"
4 . 1 9 GLU C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -70.00 -50.00 -65.91 -70.53 -59.82 0.53 8 0 "[ . 1 . 2 ]"
5 . 1 10 ALA C 1 11 ARG N 1 11 ARG CA 1 11 ARG C -68.00 -48.00 -69.06 -69.80 -70.69 2.69 1 0 "[ . 1 . 2 ]"
6 . 1 11 ARG C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -70.00 -50.00 -69.42 -67.34 -68.42 1.59 6 0 "[ . 1 . 2 ]"
7 . 1 12 ALA C 1 13 PHE N 1 13 PHE CA 1 13 PHE C -106.00 -66.00 -67.73 -76.64 -64.89 1.11 5 0 "[ . 1 . 2 ]"
8 . 1 14 LEU C 1 15 SER N 1 15 SER CA 1 15 SER C -84.00 -44.00 -79.70 -75.26 -75.95 1.06 17 0 "[ . 1 . 2 ]"
9 . 1 16 GLU C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -70.00 -50.00 -65.83 -65.86 -66.47 0.07 6 0 "[ . 1 . 2 ]"
10 . 1 17 GLU C 1 18 MET N 1 18 MET CA 1 18 MET C -70.00 -50.00 -68.00 -70.24 -59.83 0.24 9 0 "[ . 1 . 2 ]"
11 . 1 19 ILE C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -70.00 -50.00 -60.56 -62.85 -56.47 . . 0 "[ . 1 . 2 ]"
12 . 1 20 ALA C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -70.00 -50.00 -64.30 -67.56 -62.89 . . 0 "[ . 1 . 2 ]"
13 . 1 21 GLU C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -70.00 -50.00 -68.27 -68.83 -69.55 0.46 10 0 "[ . 1 . 2 ]"
14 . 1 22 PHE C 1 23 LYS N 1 23 LYS CA 1 23 LYS C -70.00 -50.00 -64.57 -64.58 -65.40 0.40 10 0 "[ . 1 . 2 ]"
15 . 1 23 LYS C 1 24 ALA N 1 24 ALA CA 1 24 ALA C -70.00 -50.00 -59.99 -69.63 -53.55 . . 0 "[ . 1 . 2 ]"
16 . 1 24 ALA C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -70.00 -50.00 -70.63 -67.45 -69.89 2.56 9 0 "[ . 1 . 2 ]"
17 . 1 25 ALA C 1 26 PHE N 1 26 PHE CA 1 26 PHE C -70.00 -50.00 -67.97 -64.09 -64.50 2.00 17 0 "[ . 1 . 2 ]"
18 . 1 26 PHE C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -70.00 -50.00 -63.37 -70.10 -59.05 0.10 4 0 "[ . 1 . 2 ]"
19 . 1 29 PHE C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -82.00 -42.00 -84.40 -80.67 -82.66 3.96 17 0 "[ . 1 . 2 ]"
20 . 1 30 ASP C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -70.00 -50.00 -62.70 -71.78 -56.35 1.78 3 0 "[ . 1 . 2 ]"
21 . 1 31 ALA C 1 32 ASP N 1 32 ASP CA 1 32 ASP C -104.00 -84.00 -85.76 -84.67 -104.81 3.16 20 0 "[ . 1 . 2 ]"
22 . 1 36 ASP C 1 37 ILE N 1 37 ILE CA 1 37 ILE C -101.00 -81.00 -102.28 -103.42 -98.53 2.42 4 0 "[ . 1 . 2 ]"
23 . 1 38 SER C 1 39 THR N 1 39 THR CA 1 39 THR C -70.00 -50.00 -67.40 -70.67 -61.64 0.67 17 0 "[ . 1 . 2 ]"
24 . 1 39 THR C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -70.00 -50.00 -64.11 -70.42 -59.69 0.42 10 0 "[ . 1 . 2 ]"
25 . 1 40 LYS C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -70.00 -50.00 -59.86 -68.58 -51.60 . . 0 "[ . 1 . 2 ]"
26 . 1 41 GLU C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -70.00 -50.00 -61.79 -61.83 -63.42 . . 0 "[ . 1 . 2 ]"
27 . 1 44 THR C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -70.00 -50.00 -70.28 -70.84 -68.97 0.84 11 0 "[ . 1 . 2 ]"
28 . 1 45 VAL C 1 46 MET N 1 46 MET CA 1 46 MET C -73.00 -53.00 -66.42 -72.92 -63.04 . . 0 "[ . 1 . 2 ]"
29 . 1 46 MET C 1 47 ARG N 1 47 ARG CA 1 47 ARG C -70.00 -50.00 -64.21 -70.62 -59.21 0.62 23 0 "[ . 1 . 2 ]"
30 . 1 47 ARG C 1 48 MET N 1 48 MET CA 1 48 MET C -102.00 -62.00 -62.68 -59.74 -61.09 3.16 3 0 "[ . 1 . 2 ]"
31 . 1 50 GLY C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -109.00 -89.00 -92.64 -110.16 -86.75 2.25 13 0 "[ . 1 . 2 ]"
32 . 1 53 PRO C 1 54 THR N 1 54 THR CA 1 54 THR C -105.00 -65.00 -97.90 -93.86 -96.98 2.81 17 0 "[ . 1 . 2 ]"
33 . 1 54 THR C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -70.00 -50.00 -69.21 -67.13 -67.67 0.65 7 0 "[ . 1 . 2 ]"
34 . 1 55 LYS C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -70.00 -50.00 -66.98 -72.73 -61.16 2.73 17 0 "[ . 1 . 2 ]"
35 . 1 56 GLU C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -70.00 -50.00 -70.65 -72.44 -67.19 2.44 23 0 "[ . 1 . 2 ]"
36 . 1 57 GLU C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -70.00 -50.00 -68.41 -68.28 -68.91 0.82 16 0 "[ . 1 . 2 ]"
37 . 1 58 LEU C 1 59 ASP N 1 59 ASP CA 1 59 ASP C -70.00 -50.00 -62.94 -72.24 -57.67 2.24 17 0 "[ . 1 . 2 ]"
38 . 1 59 ASP C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -70.00 -50.00 -70.75 -70.47 -70.60 2.18 22 0 "[ . 1 . 2 ]"
39 . 1 60 ALA C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -70.00 -50.00 -59.88 -64.00 -56.36 . . 0 "[ . 1 . 2 ]"
40 . 1 62 ILE C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -70.00 -50.00 -55.85 -62.71 -50.21 . . 0 "[ . 1 . 2 ]"
41 . 1 63 GLU C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -74.00 -54.00 -66.43 -62.05 -63.66 1.31 23 0 "[ . 1 . 2 ]"
42 . 1 64 GLU C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -110.00 -70.00 -71.18 -71.02 -71.37 0.75 22 0 "[ . 1 . 2 ]"
43 . 1 65 VAL C 1 66 ASP N 1 66 ASP CA 1 66 ASP C -70.00 -50.00 -71.54 -70.89 -71.22 2.61 8 0 "[ . 1 . 2 ]"
44 . 1 66 ASP C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -70.00 -50.00 -63.43 -71.49 -54.29 1.49 19 0 "[ . 1 . 2 ]"
45 . 1 67 GLU C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -104.00 -64.00 -80.04 -101.71 -64.35 . . 0 "[ . 1 . 2 ]"
46 . 1 69 GLY C 1 70 SER N 1 70 SER CA 1 70 SER C -96.00 -56.00 -92.53 -97.57 -82.17 1.57 23 0 "[ . 1 . 2 ]"
47 . 1 71 GLY C 1 72 THR N 1 72 THR CA 1 72 THR C -108.00 -88.00 -106.03 -91.62 -103.24 2.04 19 0 "[ . 1 . 2 ]"
48 . 1 72 THR C 1 73 ILE N 1 73 ILE CA 1 73 ILE C -106.00 -66.00 -97.58 -92.66 -94.04 . . 0 "[ . 1 . 2 ]"
49 . 1 73 ILE C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -103.00 -63.00 -104.95 -104.75 -104.81 3.32 19 0 "[ . 1 . 2 ]"
50 . 1 74 ASP C 1 75 PHE N 1 75 PHE CA 1 75 PHE C -70.00 -50.00 -71.07 -70.29 -70.69 1.65 5 0 "[ . 1 . 2 ]"
51 . 1 75 PHE C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -70.00 -50.00 -67.34 -69.83 -64.44 . . 0 "[ . 1 . 2 ]"
52 . 1 76 GLU C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -70.00 -50.00 -72.41 -73.40 -71.78 3.40 19 0 "[ . 1 . 2 ]"
53 . 1 77 GLU C 1 78 PHE N 1 78 PHE CA 1 78 PHE C -70.00 -50.00 -68.25 -68.05 -68.41 0.41 21 0 "[ . 1 . 2 ]"
54 . 1 78 PHE C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -70.00 -50.00 -70.93 -71.71 -70.34 1.71 19 0 "[ . 1 . 2 ]"
55 . 1 79 LEU C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -70.00 -50.00 -61.91 -65.95 -58.42 . . 0 "[ . 1 . 2 ]"
56 . 1 80 VAL C 1 81 MET N 1 81 MET CA 1 81 MET C -70.00 -50.00 -66.70 -70.90 -61.89 0.90 4 0 "[ . 1 . 2 ]"
57 . 1 81 MET C 1 82 MET N 1 82 MET CA 1 82 MET C -74.00 -54.00 -71.10 -70.31 -71.16 0.67 23 0 "[ . 1 . 2 ]"
58 . 1 82 MET C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -70.00 -50.00 -69.47 -70.82 -71.36 1.36 1 0 "[ . 1 . 2 ]"
59 . 1 84 ARG C 1 85 GLN N 1 85 GLN CA 1 85 GLN C -140.00 -100.00 -115.37 -118.10 -123.08 0.28 2 0 "[ . 1 . 2 ]"
60 . 1 85 GLN C 1 86 MET N 1 86 MET CA 1 86 MET C -101.00 -41.00 -80.85 -76.47 -82.62 0.54 5 0 "[ . 1 . 2 ]"
61 . 1 86 MET C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -90.00 -30.00 -75.95 -90.25 -55.57 0.25 12 0 "[ . 1 . 2 ]"
62 . 1 87 LYS C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -90.00 -30.00 -77.37 -92.49 -42.16 2.49 17 0 "[ . 1 . 2 ]"
63 . 1 88 GLU C 1 89 ASP N 1 89 ASP CA 1 89 ASP C -90.00 -30.00 -69.44 -92.92 -54.58 2.92 17 0 "[ . 1 . 2 ]"
64 . 1 89 ASP C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -76.00 -56.00 -70.95 -79.22 -55.96 3.22 11 0 "[ . 1 . 2 ]"
65 . 1 90 ALA C 1 91 LYS N 1 91 LYS CA 1 91 LYS C -70.00 -50.00 -71.08 -73.26 -62.92 3.26 17 0 "[ . 1 . 2 ]"
66 . 1 92 GLY C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -96.00 -56.00 -69.79 -96.58 -52.29 3.71 23 0 "[ . 1 . 2 ]"
67 . 1 93 LYS C 1 94 SER N 1 94 SER CA 1 94 SER C -70.00 -50.00 -67.60 -71.73 -73.37 3.37 1 0 "[ . 1 . 2 ]"
68 . 1 94 SER C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -70.00 -50.00 -68.70 -73.23 -55.02 3.23 9 0 "[ . 1 . 2 ]"
69 . 1 95 GLU C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -70.00 -50.00 -63.30 -61.57 -67.49 2.15 22 0 "[ . 1 . 2 ]"
70 . 1 96 GLU C 1 97 GLU N 1 97 GLU CA 1 97 GLU C -70.00 -50.00 -60.45 -62.66 -62.90 . . 0 "[ . 1 . 2 ]"
71 . 1 97 GLU C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -70.00 -50.00 -69.89 -72.06 -64.85 2.06 21 0 "[ . 1 . 2 ]"
72 . 1 98 LEU C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -70.00 -50.00 -63.09 -66.31 -59.07 . . 0 "[ . 1 . 2 ]"
73 . 1 100 ASN C 1 101 CYS N 1 101 CYS CA 1 101 CYS C -70.00 -50.00 -63.73 -69.37 -59.65 . . 0 "[ . 1 . 2 ]"
74 . 1 101 CYS C 1 102 PHE N 1 102 PHE CA 1 102 PHE C -70.00 -50.00 -58.54 -62.09 -56.42 . . 0 "[ . 1 . 2 ]"
75 . 1 102 PHE C 1 103 ARG N 1 103 ARG CA 1 103 ARG C -70.00 -50.00 -67.76 -70.75 -62.33 0.75 18 0 "[ . 1 . 2 ]"
76 . 1 104 ILE C 1 105 PHE N 1 105 PHE CA 1 105 PHE C -97.00 -57.00 -75.47 -87.21 -56.56 0.44 1 0 "[ . 1 . 2 ]"
77 . 1 106 ASP C 1 107 LYS N 1 107 LYS CA 1 107 LYS C -70.00 -50.00 -70.30 -71.98 -61.23 1.98 18 0 "[ . 1 . 2 ]"
78 . 1 107 LYS C 1 108 ASN N 1 108 ASN CA 1 108 ASN C -108.00 -88.00 -86.90 -86.49 -86.55 1.77 17 0 "[ . 1 . 2 ]"
79 . 1 108 ASN C 1 109 ALA N 1 109 ALA CA 1 109 ALA C 40.00 80.00 62.24 57.81 66.20 . . 0 "[ . 1 . 2 ]"
80 . 1 109 ALA C 1 110 ASP N 1 110 ASP CA 1 110 ASP C -130.00 -90.00 -106.94 -130.00 -92.94 0.00 6 0 "[ . 1 . 2 ]"
81 . 1 111 GLY C 1 112 PHE N 1 112 PHE CA 1 112 PHE C -140.00 -100.00 -132.60 -129.97 -130.74 . . 0 "[ . 1 . 2 ]"
82 . 1 112 PHE C 1 113 ILE N 1 113 ILE CA 1 113 ILE C -111.00 -71.00 -91.83 -85.42 -88.05 . . 0 "[ . 1 . 2 ]"
83 . 1 113 ILE C 1 114 ASP N 1 114 ASP CA 1 114 ASP C -112.00 -72.00 -96.10 -101.84 -106.60 . . 0 "[ . 1 . 2 ]"
84 . 1 114 ASP C 1 115 ILE N 1 115 ILE CA 1 115 ILE C -70.00 -50.00 -65.12 -66.64 -68.56 1.07 1 0 "[ . 1 . 2 ]"
85 . 1 115 ILE C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -94.00 -54.00 -64.61 -65.05 -65.36 . . 0 "[ . 1 . 2 ]"
86 . 1 116 GLU C 1 117 GLU N 1 117 GLU CA 1 117 GLU C -65.00 -45.00 -65.75 -66.27 -66.52 1.64 1 0 "[ . 1 . 2 ]"
87 . 1 117 GLU C 1 118 LEU N 1 118 LEU CA 1 118 LEU C -70.00 -50.00 -69.12 -68.40 -69.92 1.56 14 0 "[ . 1 . 2 ]"
88 . 1 119 GLY C 1 120 GLU N 1 120 GLU CA 1 120 GLU C -70.00 -50.00 -65.67 -70.23 -55.42 0.23 13 0 "[ . 1 . 2 ]"
89 . 1 120 GLU C 1 121 ILE N 1 121 ILE CA 1 121 ILE C -68.00 -48.00 -60.34 -60.88 -61.64 . . 0 "[ . 1 . 2 ]"
90 . 1 121 ILE C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -70.00 -50.00 -69.67 -71.00 -71.50 1.68 19 0 "[ . 1 . 2 ]"
91 . 1 122 LEU C 1 123 ARG N 1 123 ARG CA 1 123 ARG C -70.00 -50.00 -70.66 -69.74 -70.02 1.84 13 0 "[ . 1 . 2 ]"
92 . 1 123 ARG C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -74.00 -54.00 -57.33 -61.74 -53.84 0.16 5 0 "[ . 1 . 2 ]"
93 . 1 124 ALA C 1 125 THR N 1 125 THR CA 1 125 THR C -104.00 -64.00 -65.77 -63.56 -63.68 1.20 19 0 "[ . 1 . 2 ]"
94 . 1 126 GLY C 1 127 GLU N 1 127 GLU CA 1 127 GLU C -99.00 -59.00 -68.52 -87.09 -57.70 1.30 6 0 "[ . 1 . 2 ]"
95 . 1 128 HIS C 1 129 VAL N 1 129 VAL CA 1 129 VAL C -103.00 -83.00 -91.34 -88.37 -91.17 0.83 21 0 "[ . 1 . 2 ]"
96 . 1 129 VAL C 1 130 ILE N 1 130 ILE CA 1 130 ILE C -106.00 -86.00 -106.04 -106.65 -106.69 1.82 15 0 "[ . 1 . 2 ]"
97 . 1 130 ILE C 1 131 GLU N 1 131 GLU CA 1 131 GLU C -70.00 -50.00 -67.35 -64.40 -65.40 0.32 5 0 "[ . 1 . 2 ]"
98 . 1 131 GLU C 1 132 GLU N 1 132 GLU CA 1 132 GLU C -70.00 -50.00 -64.13 -70.38 -60.11 0.38 8 0 "[ . 1 . 2 ]"
99 . 1 133 ASP C 1 134 ILE N 1 134 ILE CA 1 134 ILE C -74.00 -54.00 -66.97 -75.32 -59.78 1.32 2 0 "[ . 1 . 2 ]"
100 . 1 134 ILE C 1 135 GLU N 1 135 GLU CA 1 135 GLU C -70.00 -50.00 -61.48 -66.99 -58.86 . . 0 "[ . 1 . 2 ]"
101 . 1 135 GLU C 1 136 ASP N 1 136 ASP CA 1 136 ASP C -70.00 -50.00 -61.25 -60.81 -61.48 . . 0 "[ . 1 . 2 ]"
102 . 1 136 ASP C 1 137 LEU N 1 137 LEU CA 1 137 LEU C -70.00 -50.00 -60.86 -58.85 -59.71 0.25 3 0 "[ . 1 . 2 ]"
103 . 1 137 LEU C 1 138 MET N 1 138 MET CA 1 138 MET C -70.00 -50.00 -68.96 -70.87 -62.98 0.87 9 0 "[ . 1 . 2 ]"
104 . 1 138 MET C 1 139 LYS N 1 139 LYS CA 1 139 LYS C -70.00 -50.00 -64.85 -67.54 -70.06 1.32 7 0 "[ . 1 . 2 ]"
105 . 1 140 ASP C 1 141 SER N 1 141 SER CA 1 141 SER C -101.00 -81.00 -82.86 -79.76 -80.08 1.44 20 0 "[ . 1 . 2 ]"
106 . 1 141 SER C 1 142 ASP N 1 142 ASP CA 1 142 ASP C -87.00 -67.00 -79.29 -80.88 -83.03 1.30 5 0 "[ . 1 . 2 ]"
107 . 1 142 ASP C 1 143 LYS N 1 143 LYS CA 1 143 LYS C -74.00 -54.00 -71.39 -75.23 -60.80 1.23 9 0 "[ . 1 . 2 ]"
108 . 1 143 LYS C 1 144 ASN N 1 144 ASN CA 1 144 ASN C -113.00 -93.00 -96.64 -113.49 -92.13 0.87 20 0 "[ . 1 . 2 ]"
109 . 1 144 ASN C 1 145 ASN N 1 145 ASN CA 1 145 ASN C 40.00 80.00 62.87 56.56 70.75 . . 0 "[ . 1 . 2 ]"
110 . 1 145 ASN C 1 146 ASP N 1 146 ASP CA 1 146 ASP C -117.00 -97.00 -109.82 -117.66 -98.86 0.66 19 0 "[ . 1 . 2 ]"
111 . 1 147 GLY C 1 148 ARG N 1 148 ARG CA 1 148 ARG C -115.00 -75.00 -111.01 -109.61 -110.38 0.42 1 0 "[ . 1 . 2 ]"
112 . 1 148 ARG C 1 149 ILE N 1 149 ILE CA 1 149 ILE C -116.00 -76.00 -107.85 -114.16 -98.53 . . 0 "[ . 1 . 2 ]"
113 . 1 149 ILE C 1 150 ASP N 1 150 ASP CA 1 150 ASP C -140.00 -100.00 -105.88 -116.39 -98.31 1.69 11 0 "[ . 1 . 2 ]"
114 . 1 150 ASP C 1 151 PHE N 1 151 PHE CA 1 151 PHE C -70.00 -50.00 -62.87 -68.45 -59.67 . . 0 "[ . 1 . 2 ]"
115 . 1 152 ASP C 1 153 GLU N 1 153 GLU CA 1 153 GLU C -68.00 -48.00 -67.56 -67.96 -68.15 0.97 23 0 "[ . 1 . 2 ]"
116 . 1 153 GLU C 1 154 PHE N 1 154 PHE CA 1 154 PHE C -70.00 -50.00 -56.87 -59.96 -51.61 . . 0 "[ . 1 . 2 ]"
117 . 1 155 LEU C 1 156 LYS N 1 156 LYS CA 1 156 LYS C -70.00 -50.00 -70.20 -70.05 -70.18 0.99 9 0 "[ . 1 . 2 ]"
118 . 1 156 LYS C 1 157 MET N 1 157 MET CA 1 157 MET C -70.00 -50.00 -61.97 -59.49 -60.17 . . 0 "[ . 1 . 2 ]"
119 . 1 158 MET C 1 159 GLU N 1 159 GLU CA 1 159 GLU C -70.00 -50.00 -67.87 -65.23 -68.01 2.58 18 0 "[ . 1 . 2 ]"
120 . 1 160 GLY C 1 161 VAL N 1 161 VAL CA 1 161 VAL C -138.00 -38.00 -107.46 -119.17 -94.64 . . 0 "[ . 1 . 2 ]"
121 . 1 161 VAL C 1 162 GLN N 1 162 GLN CA 1 162 GLN C -138.00 -38.00 -106.04 -105.26 -111.85 0.85 18 0 "[ . 1 . 2 ]"
122 . 1 7 GLN N 1 7 GLN CA 1 7 GLN C 1 8 ALA N -140.00 80.00 -40.95 -38.67 -39.62 . . 0 "[ . 1 . 2 ]"
123 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 GLU N -140.00 80.00 -9.62 -8.35 -8.94 . . 0 "[ . 1 . 2 ]"
124 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 ALA N -140.00 80.00 -45.04 -40.24 -43.77 . . 0 "[ . 1 . 2 ]"
125 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 PHE N -140.00 80.00 -19.30 -24.87 -10.61 . . 0 "[ . 1 . 2 ]"
126 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 GLU N -140.00 80.00 -28.45 -26.88 -27.02 . . 0 "[ . 1 . 2 ]"
127 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 PHE N -140.00 80.00 -38.04 -42.97 -31.09 . . 0 "[ . 1 . 2 ]"
128 . 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 LYS N -140.00 80.00 -29.13 -27.04 -28.06 . . 0 "[ . 1 . 2 ]"
129 . 1 23 LYS N 1 23 LYS CA 1 23 LYS C 1 24 ALA N -140.00 80.00 -29.45 -39.79 -12.04 . . 0 "[ . 1 . 2 ]"
130 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 PHE N -140.00 80.00 -28.14 -36.89 -15.14 . . 0 "[ . 1 . 2 ]"
131 . 1 26 PHE N 1 26 PHE CA 1 26 PHE C 1 27 ASP N -140.00 80.00 -42.20 -42.90 -43.73 . . 0 "[ . 1 . 2 ]"
132 . 1 27 ASP N 1 27 ASP CA 1 27 ASP C 1 28 MET N -140.00 80.00 -28.73 -44.72 -20.51 . . 0 "[ . 1 . 2 ]"
133 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 ALA N 20.00 -140.00 44.37 40.85 48.61 . . 0 "[ . 1 . 2 ]"
134 . 1 32 ASP N 1 32 ASP CA 1 32 ASP C 1 33 GLY N -140.00 80.00 -25.62 -50.45 42.42 . . 0 "[ . 1 . 2 ]"
135 . 1 36 ASP N 1 36 ASP CA 1 36 ASP C 1 37 ILE N 20.00 -140.00 162.24 162.77 160.54 . . 0 "[ . 1 . 2 ]"
136 . 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 LYS N -140.00 80.00 -45.35 -39.64 -40.97 . . 0 "[ . 1 . 2 ]"
137 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 GLY N -140.00 80.00 -55.46 -63.25 -45.32 . . 0 "[ . 1 . 2 ]"
138 . 1 44 THR N 1 44 THR CA 1 44 THR C 1 45 VAL N -140.00 80.00 -41.96 -38.77 -39.77 . . 0 "[ . 1 . 2 ]"
139 . 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 MET N -140.00 80.00 -32.47 -34.12 -35.51 . . 0 "[ . 1 . 2 ]"
140 . 1 46 MET N 1 46 MET CA 1 46 MET C 1 47 ARG N -140.00 80.00 -48.19 -56.59 -41.63 . . 0 "[ . 1 . 2 ]"
141 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 GLY N -140.00 80.00 -29.83 -31.13 -32.46 . . 0 "[ . 1 . 2 ]"
142 . 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 ASN N 20.00 -140.00 146.56 142.74 138.26 4.16 20 0 "[ . 1 . 2 ]"
143 . 1 53 PRO N 1 53 PRO CA 1 53 PRO C 1 54 THR N 20.00 -140.00 171.51 148.58 -176.16 . . 0 "[ . 1 . 2 ]"
144 . 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 GLU N -140.00 80.00 -48.25 -47.14 -47.27 . . 0 "[ . 1 . 2 ]"
145 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 GLU N -140.00 80.00 -29.35 -27.05 -28.03 . . 0 "[ . 1 . 2 ]"
146 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 ASP N -140.00 80.00 -31.88 -36.59 -24.43 . . 0 "[ . 1 . 2 ]"
147 . 1 59 ASP N 1 59 ASP CA 1 59 ASP C 1 60 ALA N -140.00 80.00 -36.68 -36.06 -36.77 . . 0 "[ . 1 . 2 ]"
148 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 GLU N -140.00 80.00 -33.99 -35.17 -36.40 . . 0 "[ . 1 . 2 ]"
149 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 GLU N -140.00 80.00 -40.34 -40.31 -41.21 . . 0 "[ . 1 . 2 ]"
150 . 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 VAL N -140.00 80.00 -36.89 -46.22 -23.40 . . 0 "[ . 1 . 2 ]"
151 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 ASP N -140.00 80.00 -42.43 -49.79 -34.59 . . 0 "[ . 1 . 2 ]"
152 . 1 68 ASP N 1 68 ASP CA 1 68 ASP C 1 69 GLY N -140.00 80.00 -36.20 -49.08 -26.46 . . 0 "[ . 1 . 2 ]"
153 . 1 72 THR N 1 72 THR CA 1 72 THR C 1 73 ILE N 20.00 -140.00 -178.98 -175.27 -177.34 . . 0 "[ . 1 . 2 ]"
154 . 1 73 ILE N 1 73 ILE CA 1 73 ILE C 1 74 ASP N 20.00 -140.00 135.55 130.10 139.81 . . 0 "[ . 1 . 2 ]"
155 . 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 PHE N 20.00 -140.00 176.25 176.61 175.78 . . 0 "[ . 1 . 2 ]"
156 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 GLU N -140.00 80.00 -22.48 -23.98 -20.77 . . 0 "[ . 1 . 2 ]"
157 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 VAL N -140.00 80.00 -50.17 -55.26 -43.81 . . 0 "[ . 1 . 2 ]"
158 . 1 81 MET N 1 81 MET CA 1 81 MET C 1 82 MET N -140.00 80.00 -41.37 -44.35 -38.41 . . 0 "[ . 1 . 2 ]"
159 . 1 91 LYS N 1 91 LYS CA 1 91 LYS C 1 92 GLY N -140.00 80.00 -41.20 -25.38 -29.67 0.81 23 0 "[ . 1 . 2 ]"
160 . 1 94 SER N 1 94 SER CA 1 94 SER C 1 95 GLU N -140.00 80.00 -34.18 -60.60 12.51 . . 0 "[ . 1 . 2 ]"
161 . 1 97 GLU N 1 97 GLU CA 1 97 GLU C 1 98 LEU N -140.00 80.00 -51.00 -66.13 -38.99 . . 0 "[ . 1 . 2 ]"
162 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 ALA N -140.00 80.00 -30.08 -29.93 -31.73 . . 0 "[ . 1 . 2 ]"
163 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 ASN N -140.00 80.00 -36.55 -46.58 -32.10 . . 0 "[ . 1 . 2 ]"
164 . 1 101 CYS N 1 101 CYS CA 1 101 CYS C 1 102 PHE N -140.00 80.00 -36.77 -41.65 -31.23 . . 0 "[ . 1 . 2 ]"
165 . 1 103 ARG N 1 103 ARG CA 1 103 ARG C 1 104 ILE N -140.00 80.00 -35.02 -39.34 -26.44 . . 0 "[ . 1 . 2 ]"
166 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C 1 105 PHE N -140.00 80.00 -31.05 -40.60 -44.86 . . 0 "[ . 1 . 2 ]"
167 . 1 106 ASP N 1 106 ASP CA 1 106 ASP C 1 107 LYS N 20.00 -140.00 92.05 85.55 82.75 . . 0 "[ . 1 . 2 ]"
168 . 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 ASN N -140.00 80.00 -13.14 -9.49 -9.87 . . 0 "[ . 1 . 2 ]"
169 . 1 108 ASN N 1 108 ASN CA 1 108 ASN C 1 109 ALA N -140.00 80.00 -18.75 -24.91 -10.39 . . 0 "[ . 1 . 2 ]"
170 . 1 109 ALA N 1 109 ALA CA 1 109 ALA C 1 110 ASP N 20.00 -140.00 53.66 38.30 81.34 . . 0 "[ . 1 . 2 ]"
171 . 1 112 PHE N 1 112 PHE CA 1 112 PHE C 1 113 ILE N 20.00 -140.00 158.26 151.52 164.25 . . 0 "[ . 1 . 2 ]"
172 . 1 114 ASP N 1 114 ASP CA 1 114 ASP C 1 115 ILE N 20.00 -140.00 158.39 150.53 171.32 . . 0 "[ . 1 . 2 ]"
173 . 1 115 ILE N 1 115 ILE CA 1 115 ILE C 1 116 GLU N -140.00 80.00 -37.38 -43.13 -29.23 . . 0 "[ . 1 . 2 ]"
174 . 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 GLU N -140.00 80.00 -36.95 -37.54 -38.64 . . 0 "[ . 1 . 2 ]"
175 . 1 121 ILE N 1 121 ILE CA 1 121 ILE C 1 122 LEU N -140.00 80.00 -41.61 -40.91 -41.79 . . 0 "[ . 1 . 2 ]"
176 . 1 123 ARG N 1 123 ARG CA 1 123 ARG C 1 124 ALA N -140.00 80.00 -29.54 -25.67 -27.06 . . 0 "[ . 1 . 2 ]"
177 . 1 125 THR N 1 125 THR CA 1 125 THR C 1 126 GLY N -140.00 80.00 -28.24 -27.39 -27.56 . . 0 "[ . 1 . 2 ]"
178 . 1 128 HIS N 1 128 HIS CA 1 128 HIS C 1 129 VAL N -140.00 80.00 74.32 45.48 81.21 1.21 9 0 "[ . 1 . 2 ]"
179 . 1 129 VAL N 1 129 VAL CA 1 129 VAL C 1 130 ILE N 20.00 -140.00 157.79 159.82 159.24 . . 0 "[ . 1 . 2 ]"
180 . 1 130 ILE N 1 130 ILE CA 1 130 ILE C 1 131 GLU N 20.00 -140.00 145.76 137.50 152.83 . . 0 "[ . 1 . 2 ]"
181 . 1 131 GLU N 1 131 GLU CA 1 131 GLU C 1 132 GLU N -140.00 80.00 -29.62 -25.86 -27.28 . . 0 "[ . 1 . 2 ]"
182 . 1 133 ASP N 1 133 ASP CA 1 133 ASP C 1 134 ILE N -140.00 80.00 -39.98 -26.77 -36.97 . . 0 "[ . 1 . 2 ]"
183 . 1 134 ILE N 1 134 ILE CA 1 134 ILE C 1 135 GLU N -140.00 80.00 -48.08 -47.79 -48.10 . . 0 "[ . 1 . 2 ]"
184 . 1 135 GLU N 1 135 GLU CA 1 135 GLU C 1 136 ASP N -140.00 80.00 -49.47 -61.04 -39.00 . . 0 "[ . 1 . 2 ]"
185 . 1 136 ASP N 1 136 ASP CA 1 136 ASP C 1 137 LEU N -140.00 80.00 -34.74 -46.01 -25.68 . . 0 "[ . 1 . 2 ]"
186 . 1 138 MET N 1 138 MET CA 1 138 MET C 1 139 LYS N -140.00 80.00 -40.99 -55.59 -24.32 . . 0 "[ . 1 . 2 ]"
187 . 1 139 LYS N 1 139 LYS CA 1 139 LYS C 1 140 ASP N -140.00 80.00 -26.85 -43.68 -2.50 . . 0 "[ . 1 . 2 ]"
188 . 1 143 LYS N 1 143 LYS CA 1 143 LYS C 1 144 ASN N -140.00 80.00 -39.41 -56.81 -17.78 . . 0 "[ . 1 . 2 ]"
189 . 1 144 ASN N 1 144 ASN CA 1 144 ASN C 1 145 ASN N -140.00 80.00 -15.84 -23.39 -25.53 . . 0 "[ . 1 . 2 ]"
190 . 1 145 ASN N 1 145 ASN CA 1 145 ASN C 1 146 ASP N 20.00 -140.00 76.36 43.57 135.49 . . 0 "[ . 1 . 2 ]"
191 . 1 148 ARG N 1 148 ARG CA 1 148 ARG C 1 149 ILE N 20.00 -140.00 170.60 168.24 166.36 . . 0 "[ . 1 . 2 ]"
192 . 1 150 ASP N 1 150 ASP CA 1 150 ASP C 1 151 PHE N 20.00 -140.00 172.51 161.41 -177.23 . . 0 "[ . 1 . 2 ]"
193 . 1 151 PHE N 1 151 PHE CA 1 151 PHE C 1 152 ASP N -140.00 80.00 -28.17 -35.25 -22.36 . . 0 "[ . 1 . 2 ]"
194 . 1 152 ASP N 1 152 ASP CA 1 152 ASP C 1 153 GLU N -140.00 80.00 -58.98 -62.63 -54.17 . . 0 "[ . 1 . 2 ]"
195 . 1 155 LEU N 1 155 LEU CA 1 155 LEU C 1 156 LYS N -140.00 80.00 -58.57 -57.48 -57.80 . . 0 "[ . 1 . 2 ]"
196 . 1 156 LYS N 1 156 LYS CA 1 156 LYS C 1 157 MET N -140.00 80.00 -24.88 -24.32 -25.47 . . 0 "[ . 1 . 2 ]"
197 . 1 161 VAL N 1 161 VAL CA 1 161 VAL C 1 162 GLN N 20.00 -140.00 53.30 19.89 66.81 0.11 18 0 "[ . 1 . 2 ]"
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