NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
494017 |
2l5o   |
17277 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2l5o
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 194
_TA_constraint_stats_list.Viol_count 663
_TA_constraint_stats_list.Viol_total 13130.35
_TA_constraint_stats_list.Viol_max 25.79
_TA_constraint_stats_list.Viol_rms 0.69
_TA_constraint_stats_list.Viol_average_all_restraints 0.17
_TA_constraint_stats_list.Viol_average_violations_only 0.99
_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 10 ALA C 1 11 PHE N 1 11 PHE CA 1 11 PHE C -177.00 -65.00 -113.89 -135.63 -141.68 . . 0 "[ . 1 . 2]"
2 . 1 11 PHE C 1 12 SER N 1 12 SER CA 1 12 SER C -149.00 -65.00 -138.30 -150.35 -96.15 1.35 8 0 "[ . 1 . 2]"
3 . 1 12 SER C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -119.00 -87.00 -115.84 -112.57 -114.40 4.14 17 0 "[ . 1 . 2]"
4 . 1 13 LEU C 1 14 PRO N 1 14 PRO CA 1 14 PRO C -141.00 -65.00 -73.09 -73.58 -75.07 0.56 12 0 "[ . 1 . 2]"
5 . 1 14 PRO C 1 15 ASP N 1 15 ASP CA 1 15 ASP C -142.00 -46.00 -78.48 -79.24 -80.46 . . 0 "[ . 1 . 2]"
6 . 1 18 GLY C 1 19 LYS N 1 19 LYS CA 1 19 LYS C -114.00 -50.00 -100.13 -86.77 -92.00 1.29 8 0 "[ . 1 . 2]"
7 . 1 19 LYS C 1 20 THR N 1 20 THR CA 1 20 THR C -95.00 -55.00 -74.50 -79.00 -84.77 . . 0 "[ . 1 . 2]"
8 . 1 20 THR C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -137.00 -81.00 -111.51 -127.16 -97.28 . . 0 "[ . 1 . 2]"
9 . 1 21 VAL C 1 22 SER N 1 22 SER CA 1 22 SER C -145.00 -53.00 -134.87 -141.01 -145.25 1.54 15 0 "[ . 1 . 2]"
10 . 1 22 SER C 1 23 ASN N 1 23 ASN CA 1 23 ASN C -76.00 -48.00 -64.45 -76.17 -51.64 0.17 8 0 "[ . 1 . 2]"
11 . 1 23 ASN C 1 24 ALA N 1 24 ALA CA 1 24 ALA C -67.00 -59.00 -64.19 -68.34 -58.47 1.34 5 0 "[ . 1 . 2]"
12 . 1 24 ALA C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -87.00 -47.00 -73.10 -83.04 -63.72 . . 0 "[ . 1 . 2]"
13 . 1 25 ASP C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -83.00 -55.00 -80.32 -77.64 -78.54 2.36 3 0 "[ . 1 . 2]"
14 . 1 26 LEU C 1 27 GLN N 1 27 GLN CA 1 27 GLN C -111.00 -47.00 -68.01 -64.80 -68.21 . . 0 "[ . 1 . 2]"
15 . 1 28 GLY C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -160.00 -72.00 -124.29 -160.02 -95.98 0.02 3 0 "[ . 1 . 2]"
16 . 1 29 LYS C 1 30 VAL N 1 30 VAL CA 1 30 VAL C -152.00 -104.00 -107.85 -101.93 -102.50 2.29 2 0 "[ . 1 . 2]"
17 . 1 30 VAL C 1 31 THR N 1 31 THR CA 1 31 THR C -145.00 -85.00 -134.23 -148.41 -116.01 3.41 11 0 "[ . 1 . 2]"
18 . 1 31 THR C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -134.00 -102.00 -116.54 -131.73 -105.73 . . 0 "[ . 1 . 2]"
19 . 1 32 LEU C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -140.00 -76.00 -98.96 -91.09 -93.74 . . 0 "[ . 1 . 2]"
20 . 1 33 ILE C 1 34 ASN N 1 34 ASN CA 1 34 ASN C -159.00 -91.00 -113.21 -109.62 -110.72 . . 0 "[ . 1 . 2]"
21 . 1 34 ASN C 1 35 PHE N 1 35 PHE CA 1 35 PHE C -152.00 -52.00 -89.00 -87.69 -90.30 . . 0 "[ . 1 . 2]"
22 . 1 35 PHE C 1 36 TRP N 1 36 TRP CA 1 36 TRP C -178.00 -90.00 -148.56 -146.23 -147.07 . . 0 "[ . 1 . 2]"
23 . 1 40 CYS C 1 41 PRO N 1 41 PRO CA 1 41 PRO C -78.00 -46.00 -64.23 -62.72 -63.54 1.08 9 0 "[ . 1 . 2]"
24 . 1 41 PRO C 1 42 GLY N 1 42 GLY CA 1 42 GLY C -89.00 -53.00 -73.26 -69.55 -70.20 . . 0 "[ . 1 . 2]"
25 . 1 42 GLY C 1 43 CYS N 1 43 CYS CA 1 43 CYS C -78.00 -50.00 -62.22 -78.43 -52.06 0.43 3 0 "[ . 1 . 2]"
26 . 1 43 CYS C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -88.00 -44.00 -61.92 -71.65 -49.97 . . 0 "[ . 1 . 2]"
27 . 1 44 VAL C 1 45 SER N 1 45 SER CA 1 45 SER C -86.00 -46.00 -87.89 -93.57 -86.23 7.57 4 1 "[ +. 1 . 2]"
28 . 1 45 SER C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -84.00 -60.00 -73.81 -85.22 -59.27 1.22 5 0 "[ . 1 . 2]"
29 . 1 46 GLU C 1 47 MET N 1 47 MET CA 1 47 MET C -85.00 -37.00 -56.53 -61.12 -49.32 . . 0 "[ . 1 . 2]"
30 . 1 47 MET C 1 48 PRO N 1 48 PRO CA 1 48 PRO C -76.00 -48.00 -56.05 -57.52 -58.28 . . 0 "[ . 1 . 2]"
31 . 1 48 PRO C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -72.00 -60.00 -63.44 -71.14 -59.16 0.84 9 0 "[ . 1 . 2]"
32 . 1 49 LYS C 1 50 ILE N 1 50 ILE CA 1 50 ILE C -86.00 -54.00 -64.38 -65.50 -67.40 . . 0 "[ . 1 . 2]"
33 . 1 50 ILE C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -71.00 -55.00 -55.27 -58.69 -53.57 1.43 9 0 "[ . 1 . 2]"
34 . 1 51 ILE C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -75.00 -55.00 -67.39 -75.86 -55.09 0.86 9 0 "[ . 1 . 2]"
35 . 1 52 LYS C 1 53 THR N 1 53 THR CA 1 53 THR C -73.00 -53.00 -62.13 -60.32 -61.80 . . 0 "[ . 1 . 2]"
36 . 1 53 THR C 1 54 ALA N 1 54 ALA CA 1 54 ALA C -69.00 -57.00 -67.65 -67.86 -68.53 1.03 9 0 "[ . 1 . 2]"
37 . 1 54 ALA C 1 55 ASN N 1 55 ASN CA 1 55 ASN C -75.00 -55.00 -69.00 -56.40 -63.82 2.06 12 0 "[ . 1 . 2]"
38 . 1 55 ASN C 1 56 ASP N 1 56 ASP CA 1 56 ASP C -79.00 -55.00 -67.00 -79.01 -54.59 0.41 6 0 "[ . 1 . 2]"
39 . 1 56 ASP C 1 57 TYR N 1 57 TYR CA 1 57 TYR C -95.00 -47.00 -78.69 -76.06 -77.35 2.22 6 0 "[ . 1 . 2]"
40 . 1 57 TYR C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -80.00 -48.00 -59.76 -68.52 -53.88 . . 0 "[ . 1 . 2]"
41 . 1 61 ASN C 1 62 PHE N 1 62 PHE CA 1 62 PHE C -153.00 -101.00 -114.50 -140.02 -98.31 2.69 5 0 "[ . 1 . 2]"
42 . 1 62 PHE C 1 63 GLN N 1 63 GLN CA 1 63 GLN C -166.00 -90.00 -129.79 -128.26 -134.64 . . 0 "[ . 1 . 2]"
43 . 1 63 GLN C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -150.00 -78.00 -113.89 -110.19 -113.93 . . 0 "[ . 1 . 2]"
44 . 1 64 VAL C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -143.00 -87.00 -114.38 -116.69 -120.20 . . 0 "[ . 1 . 2]"
45 . 1 65 LEU C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -156.00 -72.00 -90.39 -86.60 -87.69 . . 0 "[ . 1 . 2]"
46 . 1 66 ALA C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -137.00 -73.00 -96.98 -101.23 -105.17 . . 0 "[ . 1 . 2]"
47 . 1 73 PRO C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -73.00 -45.00 -58.70 -55.14 -56.52 . . 0 "[ . 1 . 2]"
48 . 1 74 ILE C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -74.00 -54.00 -66.86 -67.38 -68.87 0.02 6 0 "[ . 1 . 2]"
49 . 1 75 GLU C 1 76 SER N 1 76 SER CA 1 76 SER C -74.00 -58.00 -64.00 -58.32 -59.77 . . 0 "[ . 1 . 2]"
50 . 1 76 SER C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -72.00 -56.00 -66.17 -72.47 -60.35 0.47 17 0 "[ . 1 . 2]"
51 . 1 77 VAL C 1 78 ARG N 1 78 ARG CA 1 78 ARG C -75.00 -51.00 -67.53 -75.28 -52.84 0.28 12 0 "[ . 1 . 2]"
52 . 1 78 ARG C 1 79 GLN N 1 79 GLN CA 1 79 GLN C -70.00 -62.00 -65.33 -71.12 -60.98 1.12 10 0 "[ . 1 . 2]"
53 . 1 79 GLN C 1 80 TYR N 1 80 TYR CA 1 80 TYR C -73.00 -53.00 -61.96 -70.99 -54.61 . . 0 "[ . 1 . 2]"
54 . 1 80 TYR C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -73.00 -53.00 -62.75 -65.83 -67.08 . . 0 "[ . 1 . 2]"
55 . 1 81 VAL C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -74.00 -54.00 -71.75 -75.30 -75.64 2.96 7 0 "[ . 1 . 2]"
56 . 1 82 LYS C 1 83 ASP N 1 83 ASP CA 1 83 ASP C -74.00 -54.00 -66.52 -75.07 -56.48 1.07 13 0 "[ . 1 . 2]"
57 . 1 83 ASP C 1 84 TYR N 1 84 TYR CA 1 84 TYR C -117.00 -61.00 -92.26 -85.82 -88.07 . . 0 "[ . 1 . 2]"
58 . 1 87 PRO C 1 88 PHE N 1 88 PHE CA 1 88 PHE C -158.00 -62.00 -106.89 -152.27 -71.30 . . 0 "[ . 1 . 2]"
59 . 1 88 PHE C 1 89 THR N 1 89 THR CA 1 89 THR C -144.00 -52.00 -72.83 -77.04 -78.48 . . 0 "[ . 1 . 2]"
60 . 1 89 THR C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -162.00 -98.00 -111.65 -130.06 -99.41 . . 0 "[ . 1 . 2]"
61 . 1 90 VAL C 1 91 MET N 1 91 MET CA 1 91 MET C -163.00 -113.00 -119.47 -136.63 -111.24 1.76 12 0 "[ . 1 . 2]"
62 . 1 91 MET C 1 92 TYR N 1 92 TYR CA 1 92 TYR C -139.00 -63.00 -128.56 -140.53 -62.73 1.53 19 0 "[ . 1 . 2]"
63 . 1 92 TYR C 1 93 ASP N 1 93 ASP CA 1 93 ASP C -133.00 -57.00 -92.84 -107.83 -56.52 0.48 12 0 "[ . 1 . 2]"
64 . 1 93 ASP C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -73.00 -45.00 -71.58 -76.96 -28.66 16.34 12 1 "[ . 1 + . 2]"
65 . 1 94 ALA C 1 95 ASP N 1 95 ASP CA 1 95 ASP C -129.00 -73.00 -105.61 -130.07 -71.74 1.26 12 0 "[ . 1 . 2]"
66 . 1 96 LYS C 1 97 ALA N 1 97 ALA CA 1 97 ALA C -81.00 -49.00 -69.57 -81.59 -58.05 0.59 5 0 "[ . 1 . 2]"
67 . 1 97 ALA C 1 98 VAL N 1 98 VAL CA 1 98 VAL C -77.00 -61.00 -69.09 -69.14 -70.21 1.17 10 0 "[ . 1 . 2]"
68 . 1 98 VAL C 1 99 GLY N 1 99 GLY CA 1 99 GLY C -79.00 -47.00 -67.87 -64.95 -65.58 . . 0 "[ . 1 . 2]"
69 . 1 99 GLY C 1 100 GLN N 1 100 GLN CA 1 100 GLN C -83.00 -55.00 -65.64 -64.60 -66.19 . . 0 "[ . 1 . 2]"
70 . 1 100 GLN C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -73.00 -57.00 -69.29 -74.21 -63.67 1.21 15 0 "[ . 1 . 2]"
71 . 1 101 ALA C 1 102 PHE N 1 102 PHE CA 1 102 PHE C -111.00 -67.00 -77.47 -87.65 -66.62 0.38 1 0 "[ . 1 . 2]"
72 . 1 105 GLN C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -155.00 -99.00 -115.43 -148.36 -97.83 1.17 1 0 "[ . 1 . 2]"
73 . 1 106 VAL C 1 107 TYR N 1 107 TYR CA 1 107 TYR C -163.00 -87.00 -115.37 -140.02 -86.41 0.59 19 0 "[ . 1 . 2]"
74 . 1 107 TYR C 1 108 PRO N 1 108 PRO CA 1 108 PRO C -172.00 -60.00 -78.32 -90.74 -70.06 . . 0 "[ . 1 . 2]"
75 . 1 108 PRO C 1 109 THR N 1 109 THR CA 1 109 THR C -150.00 -106.00 -129.78 -151.88 -108.09 1.88 12 0 "[ . 1 . 2]"
76 . 1 109 THR C 1 110 SER N 1 110 SER CA 1 110 SER C -160.00 -88.00 -111.08 -137.69 -94.73 . . 0 "[ . 1 . 2]"
77 . 1 110 SER C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -143.00 -107.00 -107.40 -124.57 -105.50 1.50 11 0 "[ . 1 . 2]"
78 . 1 111 VAL C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -151.00 -103.00 -102.04 -103.86 -100.51 2.49 6 0 "[ . 1 . 2]"
79 . 1 112 LEU C 1 113 ILE N 1 113 ILE CA 1 113 ILE C -134.00 -102.00 -110.82 -124.49 -100.99 1.01 1 0 "[ . 1 . 2]"
80 . 1 120 LEU C 1 121 LYS N 1 121 LYS CA 1 121 LYS C 171.00 -105.00 -140.43 -163.18 -109.22 . . 0 "[ . 1 . 2]"
81 . 1 121 LYS C 1 122 THR N 1 122 THR CA 1 122 THR C -166.00 -78.00 -136.38 -148.88 -120.99 . . 0 "[ . 1 . 2]"
82 . 1 122 THR C 1 123 TYR N 1 123 TYR CA 1 123 TYR C -159.00 -59.00 -102.70 -132.31 -79.54 . . 0 "[ . 1 . 2]"
83 . 1 123 TYR C 1 124 VAL N 1 124 VAL CA 1 124 VAL C -124.00 -56.00 -106.13 -96.92 -101.22 0.86 11 0 "[ . 1 . 2]"
84 . 1 127 PRO C 1 128 ASP N 1 128 ASP CA 1 128 ASP C -142.00 -46.00 -69.37 -125.27 -48.75 . . 0 "[ . 1 . 2]"
85 . 1 128 ASP C 1 129 PHE N 1 129 PHE CA 1 129 PHE C -69.00 -49.00 -64.50 -58.58 -59.47 2.57 8 0 "[ . 1 . 2]"
86 . 1 129 PHE C 1 130 GLY N 1 130 GLY CA 1 130 GLY C -80.00 -56.00 -61.77 -57.05 -57.91 . . 0 "[ . 1 . 2]"
87 . 1 130 GLY C 1 131 LYS N 1 131 LYS CA 1 131 LYS C -80.00 -50.00 -73.27 -77.95 -79.68 1.63 10 0 "[ . 1 . 2]"
88 . 1 131 LYS C 1 132 LEU N 1 132 LEU CA 1 132 LEU C -72.00 -48.00 -62.58 -65.70 -68.69 . . 0 "[ . 1 . 2]"
89 . 1 132 LEU C 1 133 TYR N 1 133 TYR CA 1 133 TYR C -71.00 -51.00 -63.70 -63.30 -64.27 2.94 9 0 "[ . 1 . 2]"
90 . 1 133 TYR C 1 134 GLN N 1 134 GLN CA 1 134 GLN C -73.00 -47.00 -65.84 -61.69 -64.57 0.34 17 0 "[ . 1 . 2]"
91 . 1 134 GLN C 1 135 GLU N 1 135 GLU CA 1 135 GLU C -80.00 -52.00 -73.85 -76.12 -77.02 0.96 18 0 "[ . 1 . 2]"
92 . 1 135 GLU C 1 136 ILE N 1 136 ILE CA 1 136 ILE C -69.00 -55.00 -64.10 -69.65 -57.27 0.65 7 0 "[ . 1 . 2]"
93 . 1 136 ILE C 1 137 ASP N 1 137 ASP CA 1 137 ASP C -67.00 -53.00 -61.51 -63.56 -64.37 2.56 3 0 "[ . 1 . 2]"
94 . 1 137 ASP C 1 138 THR N 1 138 THR CA 1 138 THR C -85.00 -55.00 -62.56 -73.76 -55.48 . . 0 "[ . 1 . 2]"
95 . 1 138 THR C 1 139 ALA N 1 139 ALA CA 1 139 ALA C -75.00 -51.00 -70.17 -76.09 -63.68 1.09 10 0 "[ . 1 . 2]"
96 . 1 139 ALA C 1 140 TRP N 1 140 TRP CA 1 140 TRP C -77.00 -57.00 -67.21 -62.16 -65.24 1.13 8 0 "[ . 1 . 2]"
97 . 1 140 TRP C 1 141 ARG N 1 141 ARG CA 1 141 ARG C -86.00 -42.00 -75.16 -88.76 -56.45 2.76 15 0 "[ . 1 . 2]"
98 . 1 11 PHE N 1 11 PHE CA 1 11 PHE C 1 12 SER N 110.00 -166.00 139.43 148.17 144.41 . . 0 "[ . 1 . 2]"
99 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 LEU N 91.00 155.00 92.27 88.58 103.09 2.42 18 0 "[ . 1 . 2]"
100 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 PRO N 102.00 170.00 134.35 123.35 121.23 . . 0 "[ . 1 . 2]"
101 . 1 14 PRO N 1 14 PRO CA 1 14 PRO C 1 15 ASP N 87.00 171.00 139.22 137.20 134.97 . . 0 "[ . 1 . 2]"
102 . 1 15 ASP N 1 15 ASP CA 1 15 ASP C 1 16 LEU N 122.00 -154.00 177.85 160.81 -166.24 . . 0 "[ . 1 . 2]"
103 . 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 THR N 93.00 153.00 126.23 96.85 151.23 . . 0 "[ . 1 . 2]"
104 . 1 20 THR N 1 20 THR CA 1 20 THR C 1 21 VAL N 124.00 144.00 124.53 121.59 130.51 2.41 12 0 "[ . 1 . 2]"
105 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 SER N 95.00 163.00 134.66 116.44 163.16 0.16 13 0 "[ . 1 . 2]"
106 . 1 22 SER N 1 22 SER CA 1 22 SER C 1 23 ASN N 158.00 -174.00 -177.30 -175.59 -176.22 0.92 15 0 "[ . 1 . 2]"
107 . 1 23 ASN N 1 23 ASN CA 1 23 ASN C 1 24 ALA N -48.00 -24.00 -25.72 -32.28 -39.22 3.11 19 0 "[ . 1 . 2]"
108 . 1 24 ALA N 1 24 ALA CA 1 24 ALA C 1 25 ASP N -48.00 -28.00 -28.95 -34.09 -27.21 0.79 15 0 "[ . 1 . 2]"
109 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 LEU N -63.00 -3.00 -23.64 -23.89 -24.05 . . 0 "[ . 1 . 2]"
110 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 GLN N -53.00 -21.00 -28.53 -20.53 -21.33 1.69 19 0 "[ . 1 . 2]"
111 . 1 28 GLY N 1 28 GLY CA 1 28 GLY C 1 29 LYS N -25.00 43.00 -17.39 -22.85 -24.66 1.04 18 0 "[ . 1 . 2]"
112 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 VAL N 135.00 -165.00 172.73 160.58 148.83 . . 0 "[ . 1 . 2]"
113 . 1 30 VAL N 1 30 VAL CA 1 30 VAL C 1 31 THR N 114.00 150.00 138.49 144.40 141.89 . . 0 "[ . 1 . 2]"
114 . 1 31 THR N 1 31 THR CA 1 31 THR C 1 32 LEU N 105.00 153.00 143.46 137.98 135.12 . . 0 "[ . 1 . 2]"
115 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 ILE N 106.00 154.00 113.06 105.75 127.26 0.25 17 0 "[ . 1 . 2]"
116 . 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 ASN N 113.00 145.00 114.58 110.56 132.79 2.44 3 0 "[ . 1 . 2]"
117 . 1 34 ASN N 1 34 ASN CA 1 34 ASN C 1 35 PHE N 111.00 167.00 120.51 110.29 134.18 0.71 3 0 "[ . 1 . 2]"
118 . 1 35 PHE N 1 35 PHE CA 1 35 PHE C 1 36 TRP N 120.00 148.00 122.32 118.18 131.55 1.82 12 0 "[ . 1 . 2]"
119 . 1 36 TRP N 1 36 TRP CA 1 36 TRP C 1 37 PHE N 130.00 -170.00 -177.09 -173.81 -174.06 0.16 6 0 "[ . 1 . 2]"
120 . 1 41 PRO N 1 41 PRO CA 1 41 PRO C 1 42 GLY N -53.00 -9.00 -21.94 -22.96 -25.83 0.44 4 0 "[ . 1 . 2]"
121 . 1 42 GLY N 1 42 GLY CA 1 42 GLY C 1 43 CYS N -61.00 3.00 -15.59 -6.73 -10.98 2.97 4 0 "[ . 1 . 2]"
122 . 1 43 CYS N 1 43 CYS CA 1 43 CYS C 1 44 VAL N -55.00 -31.00 -35.65 -56.15 -29.40 1.60 1 0 "[ . 1 . 2]"
123 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 SER N -61.00 -25.00 -36.61 -40.23 -42.77 3.99 4 0 "[ . 1 . 2]"
124 . 1 45 SER N 1 45 SER CA 1 45 SER C 1 46 GLU N -56.00 -20.00 -52.07 -56.74 -39.72 0.74 2 0 "[ . 1 . 2]"
125 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 MET N -50.00 -30.00 -41.45 -45.06 -50.10 2.68 7 0 "[ . 1 . 2]"
126 . 1 47 MET N 1 47 MET CA 1 47 MET C 1 48 PRO N -60.00 -24.00 -52.33 -55.53 -58.06 1.02 1 0 "[ . 1 . 2]"
127 . 1 48 PRO N 1 48 PRO CA 1 48 PRO C 1 49 LYS N -50.00 -18.00 -39.37 -35.48 -35.96 . . 0 "[ . 1 . 2]"
128 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 ILE N -51.00 -23.00 -44.11 -51.94 -33.95 0.94 2 0 "[ . 1 . 2]"
129 . 1 50 ILE N 1 50 ILE CA 1 50 ILE C 1 51 ILE N -53.00 -29.00 -39.69 -46.91 -31.58 . . 0 "[ . 1 . 2]"
130 . 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 LYS N -53.00 -33.00 -52.62 -45.87 -49.20 2.49 9 0 "[ . 1 . 2]"
131 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 THR N -57.00 -25.00 -47.81 -57.69 -35.97 0.69 12 0 "[ . 1 . 2]"
132 . 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 ALA N -54.00 -34.00 -48.51 -50.01 -51.59 0.75 19 0 "[ . 1 . 2]"
133 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 ASN N -50.00 -26.00 -36.51 -50.24 -24.29 1.71 7 0 "[ . 1 . 2]"
134 . 1 55 ASN N 1 55 ASN CA 1 55 ASN C 1 56 ASP N -50.00 -30.00 -42.93 -51.73 -29.83 1.73 7 0 "[ . 1 . 2]"
135 . 1 56 ASP N 1 56 ASP CA 1 56 ASP C 1 57 TYR N -51.00 -11.00 -48.57 -51.89 -52.19 2.04 12 0 "[ . 1 . 2]"
136 . 1 57 TYR N 1 57 TYR CA 1 57 TYR C 1 58 LYS N -77.00 23.00 -14.05 -39.48 8.53 . . 0 "[ . 1 . 2]"
137 . 1 58 LYS N 1 58 LYS CA 1 58 LYS C 1 59 ASN N -58.00 -10.00 -35.31 -21.28 -27.02 . . 0 "[ . 1 . 2]"
138 . 1 62 PHE N 1 62 PHE CA 1 62 PHE C 1 63 GLN N 121.00 -179.00 140.07 120.28 162.01 0.72 20 0 "[ . 1 . 2]"
139 . 1 63 GLN N 1 63 GLN CA 1 63 GLN C 1 64 VAL N 108.00 168.00 144.71 126.33 167.31 . . 0 "[ . 1 . 2]"
140 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 LEU N 112.00 164.00 122.53 111.43 132.20 0.57 11 0 "[ . 1 . 2]"
141 . 1 65 LEU N 1 65 LEU CA 1 65 LEU C 1 66 ALA N 96.00 164.00 103.50 94.31 121.91 1.69 15 0 "[ . 1 . 2]"
142 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 VAL N 98.00 142.00 108.35 95.65 132.00 2.35 12 0 "[ . 1 . 2]"
143 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 ALA N 93.00 145.00 113.33 101.31 127.47 . . 0 "[ . 1 . 2]"
144 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 GLU N -56.00 -24.00 -33.04 -40.87 -23.24 0.76 8 0 "[ . 1 . 2]"
145 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 SER N -50.00 -30.00 -35.81 -33.97 -35.31 1.19 6 0 "[ . 1 . 2]"
146 . 1 76 SER N 1 76 SER CA 1 76 SER C 1 77 VAL N -51.00 -31.00 -41.86 -51.13 -32.45 0.13 10 0 "[ . 1 . 2]"
147 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 ARG N -55.00 -35.00 -41.44 -44.07 -44.31 2.18 12 0 "[ . 1 . 2]"
148 . 1 78 ARG N 1 78 ARG CA 1 78 ARG C 1 79 GLN N -52.00 -28.00 -33.83 -29.24 -31.92 3.05 3 0 "[ . 1 . 2]"
149 . 1 79 GLN N 1 79 GLN CA 1 79 GLN C 1 80 TYR N -53.00 -37.00 -41.93 -43.07 -44.48 0.48 19 0 "[ . 1 . 2]"
150 . 1 80 TYR N 1 80 TYR CA 1 80 TYR C 1 81 VAL N -56.00 -36.00 -47.95 -55.21 -35.85 0.15 4 0 "[ . 1 . 2]"
151 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 LYS N -59.00 -27.00 -36.00 -31.93 -36.94 0.47 16 0 "[ . 1 . 2]"
152 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 ASP N -54.00 -26.00 -47.66 -55.95 -28.56 1.95 18 0 "[ . 1 . 2]"
153 . 1 83 ASP N 1 83 ASP CA 1 83 ASP C 1 84 TYR N -48.00 -12.00 -47.12 -49.63 -39.39 1.63 8 0 "[ . 1 . 2]"
154 . 1 84 TYR N 1 84 TYR CA 1 84 TYR C 1 85 GLY N -23.00 33.00 -5.63 -21.76 12.92 . . 0 "[ . 1 . 2]"
155 . 1 88 PHE N 1 88 PHE CA 1 88 PHE C 1 89 THR N 125.00 169.00 154.54 155.28 153.61 0.87 6 0 "[ . 1 . 2]"
156 . 1 89 THR N 1 89 THR CA 1 89 THR C 1 90 VAL N 106.00 146.00 121.33 105.46 137.90 0.54 17 0 "[ . 1 . 2]"
157 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 MET N 111.00 159.00 133.78 125.49 141.91 . . 0 "[ . 1 . 2]"
158 . 1 91 MET N 1 91 MET CA 1 91 MET C 1 92 TYR N 125.00 175.00 169.83 162.17 176.00 1.00 11 0 "[ . 1 . 2]"
159 . 1 92 TYR N 1 92 TYR CA 1 92 TYR C 1 93 ASP N 105.00 141.00 118.24 122.55 117.18 0.55 12 0 "[ . 1 . 2]"
160 . 1 93 ASP N 1 93 ASP CA 1 93 ASP C 1 94 ALA N 55.00 -161.00 112.43 91.87 74.83 25.79 12 1 "[ . 1 + . 2]"
161 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 ASP N -47.00 -11.00 -29.35 -35.07 -42.40 4.20 12 0 "[ . 1 . 2]"
162 . 1 95 ASP N 1 95 ASP CA 1 95 ASP C 1 96 LYS N -10.00 34.00 -6.09 -14.95 38.73 4.95 20 0 "[ . 1 . 2]"
163 . 1 97 ALA N 1 97 ALA CA 1 97 ALA C 1 98 VAL N -52.00 -24.00 -31.70 -29.49 -31.95 1.36 10 0 "[ . 1 . 2]"
164 . 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 GLY N -50.00 -30.00 -38.80 -41.73 -42.60 0.68 15 0 "[ . 1 . 2]"
165 . 1 99 GLY N 1 99 GLY CA 1 99 GLY C 1 100 GLN N -50.00 -34.00 -34.93 -34.78 -36.36 1.83 12 0 "[ . 1 . 2]"
166 . 1 100 GLN N 1 100 GLN CA 1 100 GLN C 1 101 ALA N -55.00 -19.00 -33.14 -51.65 -23.75 . . 0 "[ . 1 . 2]"
167 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 PHE N -53.00 -13.00 -38.89 -41.60 -45.29 . . 0 "[ . 1 . 2]"
168 . 1 102 PHE N 1 102 PHE CA 1 102 PHE C 1 103 GLY N -27.00 37.00 -23.63 -27.79 -28.22 1.69 4 0 "[ . 1 . 2]"
169 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 TYR N 118.00 178.00 141.35 140.48 134.68 . . 0 "[ . 1 . 2]"
170 . 1 107 TYR N 1 107 TYR CA 1 107 TYR C 1 108 PRO N 73.00 -167.00 150.52 158.67 156.85 . . 0 "[ . 1 . 2]"
171 . 1 108 PRO N 1 108 PRO CA 1 108 PRO C 1 109 THR N 117.00 165.00 159.93 164.79 162.58 1.52 8 0 "[ . 1 . 2]"
172 . 1 109 THR N 1 109 THR CA 1 109 THR C 1 110 SER N 113.00 153.00 124.92 129.98 127.53 0.76 10 0 "[ . 1 . 2]"
173 . 1 110 SER N 1 110 SER CA 1 110 SER C 1 111 VAL N 111.00 151.00 116.63 109.80 148.52 1.20 3 0 "[ . 1 . 2]"
174 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 LEU N 112.00 148.00 138.27 142.33 138.54 0.85 18 0 "[ . 1 . 2]"
175 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 ILE N 117.00 141.00 125.41 121.43 120.20 0.66 3 0 "[ . 1 . 2]"
176 . 1 113 ILE N 1 113 ILE CA 1 113 ILE C 1 114 GLY N 103.00 159.00 132.49 133.45 130.27 . . 0 "[ . 1 . 2]"
177 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 THR N 119.00 175.00 155.16 152.51 149.20 . . 0 "[ . 1 . 2]"
178 . 1 122 THR N 1 122 THR CA 1 122 THR C 1 123 TYR N 105.00 149.00 111.30 101.99 133.94 3.01 16 0 "[ . 1 . 2]"
179 . 1 123 TYR N 1 123 TYR CA 1 123 TYR C 1 124 VAL N 98.00 146.00 127.45 103.43 146.91 0.91 7 0 "[ . 1 . 2]"
180 . 1 124 VAL N 1 124 VAL CA 1 124 VAL C 1 125 GLY N 110.00 142.00 126.06 108.90 141.57 1.10 16 0 "[ . 1 . 2]"
181 . 1 128 ASP N 1 128 ASP CA 1 128 ASP C 1 129 PHE N 78.00 174.00 107.71 120.00 112.00 1.10 7 0 "[ . 1 . 2]"
182 . 1 129 PHE N 1 129 PHE CA 1 129 PHE C 1 130 GLY N -62.00 -14.00 -33.82 -46.94 -14.36 . . 0 "[ . 1 . 2]"
183 . 1 130 GLY N 1 130 GLY CA 1 130 GLY C 1 131 LYS N -53.00 -21.00 -51.38 -54.91 -43.75 1.91 4 0 "[ . 1 . 2]"
184 . 1 131 LYS N 1 131 LYS CA 1 131 LYS C 1 132 LEU N -58.00 -18.00 -28.67 -48.87 -17.29 0.71 10 0 "[ . 1 . 2]"
185 . 1 132 LEU N 1 132 LEU CA 1 132 LEU C 1 133 TYR N -47.00 -31.00 -47.45 -46.99 -47.04 4.22 9 0 "[ . 1 . 2]"
186 . 1 133 TYR N 1 133 TYR CA 1 133 TYR C 1 134 GLN N -56.00 -30.00 -47.39 -56.40 -33.94 0.40 3 0 "[ . 1 . 2]"
187 . 1 134 GLN N 1 134 GLN CA 1 134 GLN C 1 135 GLU N -56.00 -28.00 -33.54 -29.60 -30.49 0.49 19 0 "[ . 1 . 2]"
188 . 1 135 GLU N 1 135 GLU CA 1 135 GLU C 1 136 ILE N -56.00 -24.00 -37.60 -51.77 -23.60 0.40 18 0 "[ . 1 . 2]"
189 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C 1 137 ASP N -52.00 -34.00 -44.66 -53.00 -36.26 1.00 2 0 "[ . 1 . 2]"
190 . 1 137 ASP N 1 137 ASP CA 1 137 ASP C 1 138 THR N -54.00 -18.00 -32.60 -32.98 -34.93 1.60 7 0 "[ . 1 . 2]"
191 . 1 138 THR N 1 138 THR CA 1 138 THR C 1 139 ALA N -55.00 -27.00 -38.08 -30.85 -31.45 0.37 3 0 "[ . 1 . 2]"
192 . 1 139 ALA N 1 139 ALA CA 1 139 ALA C 1 140 TRP N -55.00 -19.00 -25.98 -24.09 -28.18 1.10 3 0 "[ . 1 . 2]"
193 . 1 140 TRP N 1 140 TRP CA 1 140 TRP C 1 141 ARG N -55.00 -27.00 -46.23 -40.53 -44.39 3.16 10 0 "[ . 1 . 2]"
194 . 1 141 ARG N 1 141 ARG CA 1 141 ARG C 1 142 ASN N -58.00 -18.00 -36.88 -17.89 -25.54 2.54 2 0 "[ . 1 . 2]"
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