NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
459017 |
2kuf   |
16734 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kuf
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 186
_TA_constraint_stats_list.Viol_count 1946
_TA_constraint_stats_list.Viol_total 55061.96
_TA_constraint_stats_list.Viol_max 6.10
_TA_constraint_stats_list.Viol_rms 0.67
_TA_constraint_stats_list.Viol_average_all_restraints 0.33
_TA_constraint_stats_list.Viol_average_violations_only 0.94
_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 4 GLY C 1 5 PRO N 1 5 PRO CA 1 5 PRO C -76.00 -62.00 -70.78 -68.65 -69.41 0.75 14 0 "[ . 1 . 2 . 3]"
2 . 1 6 ALA C 1 7 THR N 1 7 THR CA 1 7 THR C -163.10 -129.70 -138.21 -147.94 -129.71 . . 0 "[ . 1 . 2 . 3]"
3 . 1 7 THR C 1 8 LYS N 1 8 LYS CA 1 8 LYS C -150.40 -123.00 -138.97 -150.60 -123.27 0.20 8 0 "[ . 1 . 2 . 3]"
4 . 1 8 LYS C 1 9 ASP N 1 9 ASP CA 1 9 ASP C -100.30 -79.10 -85.30 -85.98 -87.71 1.69 6 0 "[ . 1 . 2 . 3]"
5 . 1 9 ASP C 1 10 ILE N 1 10 ILE CA 1 10 ILE C -128.00 -78.00 -92.31 -108.71 -77.97 0.03 25 0 "[ . 1 . 2 . 3]"
6 . 1 16 GLN C 1 17 THR N 1 17 THR CA 1 17 THR C -92.00 -70.80 -72.73 -78.60 -69.84 0.96 26 0 "[ . 1 . 2 . 3]"
7 . 1 17 THR C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -71.90 -47.30 -61.75 -60.38 -60.95 . . 0 "[ . 1 . 2 . 3]"
8 . 1 18 VAL C 1 19 ASP N 1 19 ASP CA 1 19 ASP C -67.60 -59.80 -62.31 -65.26 -58.79 1.01 3 0 "[ . 1 . 2 . 3]"
9 . 1 19 ASP C 1 20 VAL N 1 20 VAL CA 1 20 VAL C -75.40 -57.40 -68.64 -68.37 -68.87 . . 0 "[ . 1 . 2 . 3]"
10 . 1 20 VAL C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -66.10 -58.90 -60.93 -62.50 -63.24 0.66 20 0 "[ . 1 . 2 . 3]"
11 . 1 21 ALA C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -64.80 -59.60 -64.06 -62.05 -62.27 0.52 18 0 "[ . 1 . 2 . 3]"
12 . 1 22 GLN C 1 23 LYS N 1 23 LYS CA 1 23 LYS C -66.70 -56.70 -66.13 -68.79 -61.63 2.09 24 0 "[ . 1 . 2 . 3]"
13 . 1 23 LYS C 1 24 ASN N 1 24 ASN CA 1 24 ASN C -68.70 -62.50 -62.39 -61.49 -61.88 2.46 8 0 "[ . 1 . 2 . 3]"
14 . 1 24 ASN C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -68.00 -60.00 -67.08 -69.90 -59.55 1.90 20 0 "[ . 1 . 2 . 3]"
15 . 1 25 LEU C 1 26 ASN N 1 26 ASN CA 1 26 ASN C -70.70 -60.10 -62.43 -69.79 -59.38 0.72 14 0 "[ . 1 . 2 . 3]"
16 . 1 26 ASN C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -69.80 -57.80 -59.70 -59.59 -60.07 1.23 21 0 "[ . 1 . 2 . 3]"
17 . 1 31 THR C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -139.00 -109.00 -108.78 -119.20 -107.56 1.44 27 0 "[ . 1 . 2 . 3]"
18 . 1 32 LYS C 1 33 PHE N 1 33 PHE CA 1 33 PHE C -132.00 -110.00 -130.63 -132.73 -132.89 1.51 14 0 "[ . 1 . 2 . 3]"
19 . 1 33 PHE C 1 34 SER N 1 34 SER CA 1 34 SER C -140.00 -120.00 -138.35 -135.59 -138.32 1.59 10 0 "[ . 1 . 2 . 3]"
20 . 1 34 SER C 1 35 GLN N 1 35 GLN CA 1 35 GLN C -140.00 -118.00 -121.88 -131.44 -116.92 1.08 9 0 "[ . 1 . 2 . 3]"
21 . 1 35 GLN C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -142.40 -101.60 -124.40 -125.41 -130.29 0.17 7 0 "[ . 1 . 2 . 3]"
22 . 1 36 ALA C 1 37 SER N 1 37 SER CA 1 37 SER C -120.90 -84.70 -99.32 -119.44 -84.53 0.17 29 0 "[ . 1 . 2 . 3]"
23 . 1 37 SER C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -144.00 -122.00 -126.50 -144.21 -120.31 1.69 3 0 "[ . 1 . 2 . 3]"
24 . 1 38 VAL C 1 39 ASP N 1 39 ASP CA 1 39 ASP C -105.00 -67.00 -79.81 -99.21 -66.17 0.83 10 0 "[ . 1 . 2 . 3]"
25 . 1 41 PRO C 1 42 ARG N 1 42 ARG CA 1 42 ARG C -96.00 -64.00 -81.10 -96.59 -66.43 0.59 15 0 "[ . 1 . 2 . 3]"
26 . 1 42 ARG C 1 43 PRO N 1 43 PRO CA 1 43 PRO C -73.00 -57.00 -61.48 -61.71 -62.19 0.90 15 0 "[ . 1 . 2 . 3]"
27 . 1 45 GLY C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -82.50 -67.30 -79.75 -81.33 -82.03 0.61 25 0 "[ . 1 . 2 . 3]"
28 . 1 46 GLU C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -105.30 -69.30 -93.14 -98.27 -99.32 . . 0 "[ . 1 . 2 . 3]"
29 . 1 49 GLY C 1 50 THR N 1 50 THR CA 1 50 THR C -141.70 -117.50 -118.09 -135.39 -116.20 1.30 24 0 "[ . 1 . 2 . 3]"
30 . 1 52 PRO C 1 53 PRO N 1 53 PRO CA 1 53 PRO C -73.50 -56.90 -63.45 -66.55 -67.70 1.12 28 0 "[ . 1 . 2 . 3]"
31 . 1 53 PRO C 1 54 ALA N 1 54 ALA CA 1 54 ALA C -67.50 -49.90 -64.04 -68.66 -59.05 1.16 16 0 "[ . 1 . 2 . 3]"
32 . 1 54 ALA C 1 55 GLY N 1 55 GLY CA 1 55 GLY C 87.30 106.70 102.03 91.16 107.83 1.13 1 0 "[ . 1 . 2 . 3]"
33 . 1 55 GLY C 1 56 THR N 1 56 THR CA 1 56 THR C -88.10 -65.70 -80.75 -89.33 -67.46 1.23 22 0 "[ . 1 . 2 . 3]"
34 . 1 56 THR C 1 57 THR N 1 57 THR CA 1 57 THR C -101.30 -74.70 -84.28 -76.53 -80.30 2.25 16 0 "[ . 1 . 2 . 3]"
35 . 1 57 THR C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -148.30 -124.10 -124.65 -124.72 -125.72 1.43 20 0 "[ . 1 . 2 . 3]"
36 . 1 58 VAL C 1 59 PRO N 1 59 PRO CA 1 59 PRO C -76.00 -60.00 -64.59 -76.46 -58.48 1.52 23 0 "[ . 1 . 2 . 3]"
37 . 1 59 PRO C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -65.10 -56.90 -64.01 -67.68 -56.85 2.58 21 0 "[ . 1 . 2 . 3]"
38 . 1 60 VAL C 1 61 ASP N 1 61 ASP CA 1 61 ASP C -104.90 -78.30 -88.30 -84.76 -86.38 0.43 22 0 "[ . 1 . 2 . 3]"
39 . 1 62 SER C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -118.70 -89.90 -105.39 -98.64 -102.31 0.43 11 0 "[ . 1 . 2 . 3]"
40 . 1 63 VAL C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -131.70 -79.30 -97.03 -102.92 -103.37 . . 0 "[ . 1 . 2 . 3]"
41 . 1 64 ILE C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -144.80 -104.40 -103.28 -103.33 -103.39 2.11 21 0 "[ . 1 . 2 . 3]"
42 . 1 65 GLU C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -108.00 -83.00 -100.23 -108.84 -88.31 0.84 20 0 "[ . 1 . 2 . 3]"
43 . 1 66 LEU C 1 67 GLN N 1 67 GLN CA 1 67 GLN C -131.90 -83.30 -88.23 -93.58 -83.00 0.30 28 0 "[ . 1 . 2 . 3]"
44 . 1 67 GLN C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -130.70 -82.30 -99.23 -116.08 -85.63 . . 0 "[ . 1 . 2 . 3]"
45 . 1 68 VAL C 1 69 SER N 1 69 SER CA 1 69 SER C -118.00 -70.00 -88.00 -79.70 -81.57 . . 0 "[ . 1 . 2 . 3]"
46 . 1 70 LYS C 1 71 GLY N 1 71 GLY CA 1 71 GLY C -83.00 -55.00 -59.39 -60.82 -61.85 0.68 22 0 "[ . 1 . 2 . 3]"
47 . 1 72 ASN C 1 73 GLN N 1 73 GLN CA 1 73 GLN C -154.00 -114.00 -115.99 -141.79 -110.75 3.25 22 0 "[ . 1 . 2 . 3]"
48 . 1 73 GLN C 1 74 PHE N 1 74 PHE CA 1 74 PHE C -154.00 -124.00 -128.81 -125.53 -127.02 1.20 29 0 "[ . 1 . 2 . 3]"
49 . 1 74 PHE C 1 75 VAL N 1 75 VAL CA 1 75 VAL C -96.00 -60.00 -69.24 -64.42 -65.88 0.53 2 0 "[ . 1 . 2 . 3]"
50 . 1 75 VAL C 1 76 MET N 1 76 MET CA 1 76 MET C -97.00 -65.00 -81.63 -97.45 -64.84 0.45 16 0 "[ . 1 . 2 . 3]"
51 . 1 76 MET C 1 77 PRO N 1 77 PRO CA 1 77 PRO C -74.00 -62.00 -69.27 -74.91 -61.71 0.91 30 0 "[ . 1 . 2 . 3]"
52 . 1 77 PRO C 1 78 ASP N 1 78 ASP CA 1 78 ASP C -119.00 -61.00 -77.02 -90.87 -60.80 0.20 10 0 "[ . 1 . 2 . 3]"
53 . 1 79 LEU C 1 80 SER N 1 80 SER CA 1 80 SER C -79.00 -53.00 -77.73 -79.58 -79.80 2.01 26 0 "[ . 1 . 2 . 3]"
54 . 1 83 PHE C 1 84 TRP N 1 84 TRP CA 1 84 TRP C -86.00 -44.00 -65.48 -66.58 -67.21 . . 0 "[ . 1 . 2 . 3]"
55 . 1 84 TRP C 1 85 VAL N 1 85 VAL CA 1 85 VAL C -80.10 -57.90 -71.40 -76.20 -78.16 . . 0 "[ . 1 . 2 . 3]"
56 . 1 85 VAL C 1 86 ASP N 1 86 ASP CA 1 86 ASP C -100.90 -80.10 -99.30 -91.17 -93.66 1.37 16 0 "[ . 1 . 2 . 3]"
57 . 1 86 ASP C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -75.80 -49.60 -60.99 -56.79 -57.47 . . 0 "[ . 1 . 2 . 3]"
58 . 1 87 ALA C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -66.00 -52.00 -57.42 -51.08 -51.21 0.92 2 0 "[ . 1 . 2 . 3]"
59 . 1 88 GLU C 1 89 PRO N 1 89 PRO CA 1 89 PRO C -61.00 -53.00 -57.36 -62.50 -52.59 1.50 20 0 "[ . 1 . 2 . 3]"
60 . 1 89 PRO C 1 90 ARG N 1 90 ARG CA 1 90 ARG C -68.60 -59.40 -63.99 -63.40 -64.29 0.78 26 0 "[ . 1 . 2 . 3]"
61 . 1 90 ARG C 1 91 LEU N 1 91 LEU CA 1 91 LEU C -65.80 -58.00 -64.25 -65.99 -66.11 1.58 22 0 "[ . 1 . 2 . 3]"
62 . 1 91 LEU C 1 92 ARG N 1 92 ARG CA 1 92 ARG C -64.70 -57.30 -66.37 -67.33 -65.59 2.63 19 0 "[ . 1 . 2 . 3]"
63 . 1 92 ARG C 1 93 ALA N 1 93 ALA CA 1 93 ALA C -70.00 -59.60 -69.43 -71.28 -65.31 1.28 25 0 "[ . 1 . 2 . 3]"
64 . 1 93 ALA C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -92.00 -82.00 -84.43 -81.70 -81.93 1.35 16 0 "[ . 1 . 2 . 3]"
65 . 1 95 GLY C 1 96 TRP N 1 96 TRP CA 1 96 TRP C -87.00 -61.00 -81.68 -87.48 -67.19 0.48 14 0 "[ . 1 . 2 . 3]"
66 . 1 98 GLY C 1 99 MET N 1 99 MET CA 1 99 MET C -136.70 -91.30 -113.61 -136.87 -95.54 0.17 16 0 "[ . 1 . 2 . 3]"
67 . 1 99 MET C 1 100 LEU N 1 100 LEU CA 1 100 LEU C -131.00 -81.00 -85.97 -106.67 -80.16 0.84 16 0 "[ . 1 . 2 . 3]"
68 . 1 100 LEU C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -136.00 -96.00 -104.47 -126.77 -95.34 0.66 3 0 "[ . 1 . 2 . 3]"
69 . 1 101 ASP C 1 102 LYS N 1 102 LYS CA 1 102 LYS C -112.00 -88.00 -99.33 -112.31 -87.34 0.66 19 0 "[ . 1 . 2 . 3]"
70 . 1 103 GLY C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -139.00 -59.00 -133.67 -140.61 -74.49 1.61 19 0 "[ . 1 . 2 . 3]"
71 . 1 104 ALA C 1 105 ASP N 1 105 ASP CA 1 105 ASP C -116.00 -56.00 -98.30 -117.21 -68.90 1.21 27 0 "[ . 1 . 2 . 3]"
72 . 1 105 ASP C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -137.00 -105.00 -107.40 -122.36 -102.98 2.02 8 0 "[ . 1 . 2 . 3]"
73 . 1 106 VAL C 1 107 ASP N 1 107 ASP CA 1 107 ASP C -102.00 -74.00 -73.98 -82.88 -71.49 2.51 7 0 "[ . 1 . 2 . 3]"
74 . 1 109 GLY C 1 110 GLY N 1 110 GLY CA 1 110 GLY C -63.00 -57.00 -58.59 -63.64 -56.23 0.77 18 0 "[ . 1 . 2 . 3]"
75 . 1 110 GLY C 1 111 SER N 1 111 SER CA 1 111 SER C -78.00 -56.00 -69.42 -64.94 -66.19 . . 0 "[ . 1 . 2 . 3]"
76 . 1 111 SER C 1 112 GLN N 1 112 GLN CA 1 112 GLN C -108.00 -88.00 -90.87 -91.08 -92.06 1.58 24 0 "[ . 1 . 2 . 3]"
77 . 1 114 ASN C 1 115 ARG N 1 115 ARG CA 1 115 ARG C -143.00 -63.00 -95.55 -101.13 -106.33 . . 0 "[ . 1 . 2 . 3]"
78 . 1 115 ARG C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -84.00 -58.00 -65.01 -61.09 -62.86 2.40 29 0 "[ . 1 . 2 . 3]"
79 . 1 117 VAL C 1 118 TYR N 1 118 TYR CA 1 118 TYR C -156.00 -130.00 -149.94 -157.08 -133.10 1.08 8 0 "[ . 1 . 2 . 3]"
80 . 1 121 PRO C 1 122 PRO N 1 122 PRO CA 1 122 PRO C -70.00 -64.00 -69.03 -67.67 -68.67 1.29 21 0 "[ . 1 . 2 . 3]"
81 . 1 122 PRO C 1 123 ALA N 1 123 ALA CA 1 123 ALA C -67.50 -49.50 -62.98 -63.42 -64.80 0.57 5 0 "[ . 1 . 2 . 3]"
82 . 1 123 ALA C 1 124 GLY N 1 124 GLY CA 1 124 GLY C 87.00 105.00 101.75 103.18 102.65 0.60 30 0 "[ . 1 . 2 . 3]"
83 . 1 125 THR C 1 126 GLY N 1 126 GLY CA 1 126 GLY C -129.00 -67.00 -79.55 -104.09 -70.34 . . 0 "[ . 1 . 2 . 3]"
84 . 1 126 GLY C 1 127 VAL N 1 127 VAL CA 1 127 VAL C -127.00 -91.00 -116.21 -118.65 -119.49 0.89 3 0 "[ . 1 . 2 . 3]"
85 . 1 128 ASN C 1 129 ARG N 1 129 ARG CA 1 129 ARG C -67.00 -49.00 -57.77 -59.45 -60.29 0.26 8 0 "[ . 1 . 2 . 3]"
86 . 1 129 ARG C 1 130 ASP N 1 130 ASP CA 1 130 ASP C -97.00 -79.00 -85.97 -97.20 -80.35 0.20 8 0 "[ . 1 . 2 . 3]"
87 . 1 130 ASP C 1 131 GLY N 1 131 GLY CA 1 131 GLY C 69.00 107.00 66.40 66.35 66.24 4.15 10 0 "[ . 1 . 2 . 3]"
88 . 1 131 GLY C 1 132 ILE N 1 132 ILE CA 1 132 ILE C -99.00 -71.00 -70.44 -70.58 -70.68 1.84 11 0 "[ . 1 . 2 . 3]"
89 . 1 132 ILE C 1 133 ILE N 1 133 ILE CA 1 133 ILE C -129.00 -107.00 -125.79 -130.06 -116.98 1.06 27 0 "[ . 1 . 2 . 3]"
90 . 1 133 ILE C 1 134 THR N 1 134 THR CA 1 134 THR C -127.00 -99.00 -104.60 -105.11 -105.80 0.34 15 0 "[ . 1 . 2 . 3]"
91 . 1 134 THR C 1 135 LEU N 1 135 LEU CA 1 135 LEU C -138.00 -120.00 -138.65 -138.97 -139.10 2.12 6 0 "[ . 1 . 2 . 3]"
92 . 1 135 LEU C 1 136 ARG N 1 136 ARG CA 1 136 ARG C -151.00 -129.00 -128.34 -127.30 -127.57 5.05 29 1 "[ . 1 . 2 . +3]"
93 . 1 136 ARG C 1 137 PHE N 1 137 PHE CA 1 137 PHE C -141.00 -121.00 -139.37 -142.98 -128.00 1.98 17 0 "[ . 1 . 2 . 3]"
94 . 1 5 PRO N 1 5 PRO CA 1 5 PRO C 1 6 ALA N 143.00 161.00 146.71 146.37 145.33 1.49 18 0 "[ . 1 . 2 . 3]"
95 . 1 7 THR N 1 7 THR CA 1 7 THR C 1 8 LYS N 140.60 165.80 146.22 153.97 149.89 1.05 28 0 "[ . 1 . 2 . 3]"
96 . 1 8 LYS N 1 8 LYS CA 1 8 LYS C 1 9 ASP N 133.10 168.90 142.68 132.61 155.51 0.49 8 0 "[ . 1 . 2 . 3]"
97 . 1 9 ASP N 1 9 ASP CA 1 9 ASP C 1 10 ILE N 110.10 144.10 134.19 121.85 144.99 0.89 18 0 "[ . 1 . 2 . 3]"
98 . 1 10 ILE N 1 10 ILE CA 1 10 ILE C 1 11 PRO N 107.00 137.00 130.61 112.71 138.22 1.22 8 0 "[ . 1 . 2 . 3]"
99 . 1 17 THR N 1 17 THR CA 1 17 THR C 1 18 VAL N 158.30 170.70 155.49 156.08 155.99 3.44 20 0 "[ . 1 . 2 . 3]"
100 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 ASP N -53.20 -42.20 -42.73 -47.76 -40.38 1.82 3 0 "[ . 1 . 2 . 3]"
101 . 1 19 ASP N 1 19 ASP CA 1 19 ASP C 1 20 VAL N -43.70 -28.70 -40.55 -43.95 -44.28 0.58 1 0 "[ . 1 . 2 . 3]"
102 . 1 20 VAL N 1 20 VAL CA 1 20 VAL C 1 21 ALA N -48.70 -35.10 -43.99 -49.03 -38.63 0.33 28 0 "[ . 1 . 2 . 3]"
103 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 GLN N -44.90 -35.50 -44.20 -45.24 -45.30 0.89 7 0 "[ . 1 . 2 . 3]"
104 . 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 LYS N -45.20 -35.80 -44.82 -46.79 -41.34 1.59 24 0 "[ . 1 . 2 . 3]"
105 . 1 23 LYS N 1 23 LYS CA 1 23 LYS C 1 24 ASN N -53.80 -40.20 -40.49 -40.22 -42.28 3.20 21 0 "[ . 1 . 2 . 3]"
106 . 1 24 ASN N 1 24 ASN CA 1 24 ASN C 1 25 LEU N -49.80 -38.40 -45.57 -50.20 -37.95 0.45 11 0 "[ . 1 . 2 . 3]"
107 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 ASN N -47.00 -37.00 -39.52 -47.14 -34.71 2.29 30 0 "[ . 1 . 2 . 3]"
108 . 1 26 ASN N 1 26 ASN CA 1 26 ASN C 1 27 VAL N -47.80 -35.80 -36.15 -35.39 -35.59 1.97 25 0 "[ . 1 . 2 . 3]"
109 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 TYR N -48.50 -32.70 -34.34 -31.62 -32.42 1.60 2 0 "[ . 1 . 2 . 3]"
110 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 PHE N 116.00 142.00 140.54 142.38 142.21 1.98 5 0 "[ . 1 . 2 . 3]"
111 . 1 33 PHE N 1 33 PHE CA 1 33 PHE C 1 34 SER N 127.00 157.00 150.23 148.37 147.90 0.14 19 0 "[ . 1 . 2 . 3]"
112 . 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 GLN N 129.00 163.00 150.69 155.39 152.73 . . 0 "[ . 1 . 2 . 3]"
113 . 1 35 GLN N 1 35 GLN CA 1 35 GLN C 1 36 ALA N 120.00 152.00 135.63 119.83 149.91 0.17 6 0 "[ . 1 . 2 . 3]"
114 . 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 SER N 116.90 143.10 129.93 143.01 137.34 0.80 8 0 "[ . 1 . 2 . 3]"
115 . 1 37 SER N 1 37 SER CA 1 37 SER C 1 38 VAL N 114.90 139.30 131.30 137.09 136.10 0.64 2 0 "[ . 1 . 2 . 3]"
116 . 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 ASP N 150.00 168.00 151.40 151.37 151.01 0.94 16 0 "[ . 1 . 2 . 3]"
117 . 1 39 ASP N 1 39 ASP CA 1 39 ASP C 1 40 SER N 137.00 153.00 135.79 136.72 136.44 3.08 19 0 "[ . 1 . 2 . 3]"
118 . 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 PRO N 122.00 180.00 141.58 143.05 141.94 . . 0 "[ . 1 . 2 . 3]"
119 . 1 43 PRO N 1 43 PRO CA 1 43 PRO C 1 44 ALA N 142.00 162.00 148.38 141.56 159.92 0.44 8 0 "[ . 1 . 2 . 3]"
120 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 VAL N 126.00 144.40 136.08 144.49 141.76 0.51 2 0 "[ . 1 . 2 . 3]"
121 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 THR N 106.60 143.20 117.84 112.43 125.65 . . 0 "[ . 1 . 2 . 3]"
122 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 ASN N 137.50 157.30 155.74 146.42 159.19 1.89 1 0 "[ . 1 . 2 . 3]"
123 . 1 53 PRO N 1 53 PRO CA 1 53 PRO C 1 54 ALA N 141.10 162.30 148.32 139.36 162.95 1.74 18 0 "[ . 1 . 2 . 3]"
124 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 GLY N 129.80 144.40 135.06 135.85 134.61 0.17 8 0 "[ . 1 . 2 . 3]"
125 . 1 55 GLY N 1 55 GLY CA 1 55 GLY C 1 56 THR N -27.70 -5.50 -12.69 -21.86 -4.82 0.68 20 0 "[ . 1 . 2 . 3]"
126 . 1 56 THR N 1 56 THR CA 1 56 THR C 1 57 THR N 120.50 136.70 134.03 133.28 129.06 2.76 16 0 "[ . 1 . 2 . 3]"
127 . 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 VAL N 124.70 142.10 127.77 125.35 124.62 1.50 6 0 "[ . 1 . 2 . 3]"
128 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 PRO N 155.30 171.10 157.70 163.82 161.80 1.31 15 0 "[ . 1 . 2 . 3]"
129 . 1 59 PRO N 1 59 PRO CA 1 59 PRO C 1 60 VAL N 139.00 163.00 137.87 134.84 143.13 4.16 29 0 "[ . 1 . 2 . 3]"
130 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 ASP N -37.20 -20.00 -21.52 -29.50 -19.03 0.97 15 0 "[ . 1 . 2 . 3]"
131 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 SER N -17.40 3.20 -10.63 -19.04 3.69 1.64 22 0 "[ . 1 . 2 . 3]"
132 . 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 ILE N 114.40 137.60 133.29 134.78 134.43 1.11 28 0 "[ . 1 . 2 . 3]"
133 . 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 GLU N 115.50 143.90 134.35 115.39 143.90 0.11 22 0 "[ . 1 . 2 . 3]"
134 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 LEU N 118.00 128.60 119.78 119.99 118.58 1.90 20 0 "[ . 1 . 2 . 3]"
135 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 GLN N 113.60 134.40 124.05 120.36 119.37 0.44 4 0 "[ . 1 . 2 . 3]"
136 . 1 67 GLN N 1 67 GLN CA 1 67 GLN C 1 68 VAL N 102.50 138.90 115.06 110.55 108.83 0.80 17 0 "[ . 1 . 2 . 3]"
137 . 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 SER N 120.10 147.30 131.23 122.18 144.96 . . 0 "[ . 1 . 2 . 3]"
138 . 1 69 SER N 1 69 SER CA 1 69 SER C 1 70 LYS N 118.00 158.00 127.27 117.35 147.63 0.65 18 0 "[ . 1 . 2 . 3]"
139 . 1 71 GLY N 1 71 GLY CA 1 71 GLY C 1 72 ASN N -45.00 -25.00 -24.00 -27.17 -21.90 3.10 25 0 "[ . 1 . 2 . 3]"
140 . 1 73 GLN N 1 73 GLN CA 1 73 GLN C 1 74 PHE N 142.00 172.00 151.32 141.72 172.20 0.28 26 0 "[ . 1 . 2 . 3]"
141 . 1 74 PHE N 1 74 PHE CA 1 74 PHE C 1 75 VAL N 136.00 158.00 153.97 146.67 158.79 0.79 18 0 "[ . 1 . 2 . 3]"
142 . 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 MET N 117.00 135.00 121.77 119.30 118.65 1.49 29 0 "[ . 1 . 2 . 3]"
143 . 1 76 MET N 1 76 MET CA 1 76 MET C 1 77 PRO N 109.00 147.00 127.56 133.46 131.02 . . 0 "[ . 1 . 2 . 3]"
144 . 1 77 PRO N 1 77 PRO CA 1 77 PRO C 1 78 ASP N 155.00 169.00 168.36 168.49 166.38 2.24 12 0 "[ . 1 . 2 . 3]"
145 . 1 78 ASP N 1 78 ASP CA 1 78 ASP C 1 79 LEU N 116.00 142.00 128.43 114.47 143.13 1.53 4 0 "[ . 1 . 2 . 3]"
146 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 GLY N 131.00 153.00 143.52 152.76 151.81 0.47 2 0 "[ . 1 . 2 . 3]"
147 . 1 84 TRP N 1 84 TRP CA 1 84 TRP C 1 85 VAL N -44.00 -16.00 -30.01 -29.06 -29.64 . . 0 "[ . 1 . 2 . 3]"
148 . 1 85 VAL N 1 85 VAL CA 1 85 VAL C 1 86 ASP N -40.40 -6.80 -15.28 -30.05 -6.40 0.40 12 0 "[ . 1 . 2 . 3]"
149 . 1 86 ASP N 1 86 ASP CA 1 86 ASP C 1 87 ALA N -43.70 -8.50 -35.79 -45.06 -21.56 1.36 17 0 "[ . 1 . 2 . 3]"
150 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 GLU N -52.70 -32.50 -45.74 -53.22 -53.55 1.60 27 0 "[ . 1 . 2 . 3]"
151 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 PRO N -59.00 -37.00 -52.92 -54.10 -54.56 0.13 18 0 "[ . 1 . 2 . 3]"
152 . 1 89 PRO N 1 89 PRO CA 1 89 PRO C 1 90 ARG N -45.00 -29.00 -34.94 -36.32 -37.20 0.89 14 0 "[ . 1 . 2 . 3]"
153 . 1 90 ARG N 1 90 ARG CA 1 90 ARG C 1 91 LEU N -47.10 -34.30 -39.36 -45.55 -33.82 0.48 10 0 "[ . 1 . 2 . 3]"
154 . 1 91 LEU N 1 91 LEU CA 1 91 LEU C 1 92 ARG N -46.90 -39.10 -47.33 -49.65 -39.75 2.75 8 0 "[ . 1 . 2 . 3]"
155 . 1 92 ARG N 1 92 ARG CA 1 92 ARG C 1 93 ALA N -46.90 -35.10 -37.45 -42.07 -34.18 0.92 22 0 "[ . 1 . 2 . 3]"
156 . 1 93 ALA N 1 93 ALA CA 1 93 ALA C 1 94 LEU N -38.90 -14.70 -34.87 -34.26 -34.27 0.74 19 0 "[ . 1 . 2 . 3]"
157 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 GLY N -8.00 8.00 -9.02 -6.92 -8.16 2.17 26 0 "[ . 1 . 2 . 3]"
158 . 1 96 TRP N 1 96 TRP CA 1 96 TRP C 1 97 THR N 128.00 148.00 127.58 126.20 133.40 1.80 16 0 "[ . 1 . 2 . 3]"
159 . 1 99 MET N 1 99 MET CA 1 99 MET C 1 100 LEU N 125.90 163.10 149.26 144.15 141.59 0.23 20 0 "[ . 1 . 2 . 3]"
160 . 1 100 LEU N 1 100 LEU CA 1 100 LEU C 1 101 ASP N 102.00 130.00 119.02 101.88 131.14 1.14 20 0 "[ . 1 . 2 . 3]"
161 . 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 LYS N 102.00 140.00 116.29 112.63 110.10 . . 0 "[ . 1 . 2 . 3]"
162 . 1 102 LYS N 1 102 LYS CA 1 102 LYS C 1 103 GLY N 111.00 133.00 133.06 128.48 123.35 2.47 23 0 "[ . 1 . 2 . 3]"
163 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 ASP N 118.00 154.00 142.82 116.58 154.94 1.42 11 0 "[ . 1 . 2 . 3]"
164 . 1 105 ASP N 1 105 ASP CA 1 105 ASP C 1 106 VAL N 125.00 157.00 129.54 123.49 150.14 1.51 13 0 "[ . 1 . 2 . 3]"
165 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 ASP N 117.00 157.00 132.45 115.59 156.26 1.41 2 0 "[ . 1 . 2 . 3]"
166 . 1 107 ASP N 1 107 ASP CA 1 107 ASP C 1 108 ALA N 108.00 126.00 115.06 126.20 124.72 1.61 6 0 "[ . 1 . 2 . 3]"
167 . 1 110 GLY N 1 110 GLY CA 1 110 GLY C 1 111 SER N -48.00 -34.00 -34.03 -43.11 -31.29 2.71 13 0 "[ . 1 . 2 . 3]"
168 . 1 111 SER N 1 111 SER CA 1 111 SER C 1 112 GLN N -39.00 -25.00 -24.32 -24.18 -24.41 2.18 6 0 "[ . 1 . 2 . 3]"
169 . 1 112 GLN N 1 112 GLN CA 1 112 GLN C 1 113 HIS N -12.00 -2.00 -3.42 -0.62 -0.73 2.55 29 0 "[ . 1 . 2 . 3]"
170 . 1 115 ARG N 1 115 ARG CA 1 115 ARG C 1 116 VAL N 141.00 171.00 165.44 169.57 166.48 3.45 29 0 "[ . 1 . 2 . 3]"
171 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 VAL N 132.00 152.00 131.45 130.73 130.52 2.67 9 0 "[ . 1 . 2 . 3]"
172 . 1 118 TYR N 1 118 TYR CA 1 118 TYR C 1 119 GLN N 136.00 164.00 140.35 134.62 154.11 1.38 16 0 "[ . 1 . 2 . 3]"
173 . 1 122 PRO N 1 122 PRO CA 1 122 PRO C 1 123 ALA N 136.00 160.00 157.23 143.49 161.27 1.27 9 0 "[ . 1 . 2 . 3]"
174 . 1 123 ALA N 1 123 ALA CA 1 123 ALA C 1 124 GLY N 127.70 138.50 134.47 127.17 139.85 1.35 15 0 "[ . 1 . 2 . 3]"
175 . 1 124 GLY N 1 124 GLY CA 1 124 GLY C 1 125 THR N -28.00 0.00 -7.01 -5.21 -5.88 0.40 28 0 "[ . 1 . 2 . 3]"
176 . 1 126 GLY N 1 126 GLY CA 1 126 GLY C 1 127 VAL N 97.00 143.00 126.61 133.20 131.90 . . 0 "[ . 1 . 2 . 3]"
177 . 1 127 VAL N 1 127 VAL CA 1 127 VAL C 1 128 ASN N 93.00 141.00 142.48 142.76 142.67 2.40 23 0 "[ . 1 . 2 . 3]"
178 . 1 129 ARG N 1 129 ARG CA 1 129 ARG C 1 130 ASP N -42.00 -26.00 -26.13 -32.25 -23.75 2.25 26 0 "[ . 1 . 2 . 3]"
179 . 1 130 ASP N 1 130 ASP CA 1 130 ASP C 1 131 GLY N -5.00 15.00 -8.48 -7.28 -7.52 6.10 30 4 "[ . 1- * . 2 . * +]"
180 . 1 131 GLY N 1 131 GLY CA 1 131 GLY C 1 132 ILE N -13.00 19.00 16.20 -0.89 20.52 1.52 23 0 "[ . 1 . 2 . 3]"
181 . 1 132 ILE N 1 132 ILE CA 1 132 ILE C 1 133 ILE N 120.00 144.00 119.50 119.62 119.50 2.34 16 0 "[ . 1 . 2 . 3]"
182 . 1 133 ILE N 1 133 ILE CA 1 133 ILE C 1 134 THR N 120.00 132.00 133.40 128.25 135.49 3.49 12 0 "[ . 1 . 2 . 3]"
183 . 1 134 THR N 1 134 THR CA 1 134 THR C 1 135 LEU N 119.00 139.00 128.21 135.93 133.53 1.12 7 0 "[ . 1 . 2 . 3]"
184 . 1 135 LEU N 1 135 LEU CA 1 135 LEU C 1 136 ARG N 151.00 165.00 166.84 166.93 166.76 4.43 17 0 "[ . 1 . 2 . 3]"
185 . 1 136 ARG N 1 136 ARG CA 1 136 ARG C 1 137 PHE N 138.00 156.00 137.90 134.63 147.32 3.37 2 0 "[ . 1 . 2 . 3]"
186 . 1 137 PHE N 1 137 PHE CA 1 137 PHE C 1 138 GLY N 139.00 165.00 166.23 163.13 169.63 4.63 22 0 "[ . 1 . 2 . 3]"
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