NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
458949 |
2kud   |
16732 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kud
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 198
_TA_constraint_stats_list.Viol_count 2073
_TA_constraint_stats_list.Viol_total 52780.49
_TA_constraint_stats_list.Viol_max 5.54
_TA_constraint_stats_list.Viol_rms 0.62
_TA_constraint_stats_list.Viol_average_all_restraints 0.30
_TA_constraint_stats_list.Viol_average_violations_only 0.85
_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 ILE N 1 5 ILE CA 1 5 ILE C -140.00 -76.00 -104.44 -112.13 -120.47 0.71 14 0 "[ . 1 . 2 . 3]"
2 . 1 7 ARG C 1 8 ASP N 1 8 ASP CA 1 8 ASP C -138.00 -68.00 -101.31 -107.89 -109.92 . . 0 "[ . 1 . 2 . 3]"
3 . 1 8 ASP C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -152.00 -118.00 -126.46 -127.65 -130.54 0.76 3 0 "[ . 1 . 2 . 3]"
4 . 1 9 VAL C 1 10 GLN N 1 10 GLN CA 1 10 GLN C -126.00 -96.00 -96.46 -95.43 -95.71 2.89 23 0 "[ . 1 . 2 . 3]"
5 . 1 10 GLN C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -132.00 -98.00 -98.68 -102.98 -104.36 3.80 14 0 "[ . 1 . 2 . 3]"
6 . 1 14 VAL C 1 15 ARG N 1 15 ARG CA 1 15 ARG C -65.00 -53.00 -62.81 -62.94 -63.87 2.85 9 0 "[ . 1 . 2 . 3]"
7 . 1 15 ARG C 1 16 GLY N 1 16 GLY CA 1 16 GLY C 81.00 103.00 100.34 91.68 105.71 2.71 25 0 "[ . 1 . 2 . 3]"
8 . 1 18 SER C 1 19 SER N 1 19 SER CA 1 19 SER C -63.00 -55.00 -61.62 -59.78 -60.91 0.89 14 0 "[ . 1 . 2 . 3]"
9 . 1 19 SER C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -68.00 -58.00 -62.77 -62.90 -62.91 0.67 13 0 "[ . 1 . 2 . 3]"
10 . 1 20 ALA C 1 21 ASP N 1 21 ASP CA 1 21 ASP C -69.00 -59.00 -65.32 -69.71 -58.83 0.71 20 0 "[ . 1 . 2 . 3]"
11 . 1 21 ASP C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -73.00 -57.00 -59.64 -61.39 -62.17 0.54 3 0 "[ . 1 . 2 . 3]"
12 . 1 22 ALA C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -69.00 -59.00 -60.31 -69.05 -57.72 1.28 13 0 "[ . 1 . 2 . 3]"
13 . 1 23 ILE C 1 24 ALA N 1 24 ALA CA 1 24 ALA C -65.00 -59.00 -64.21 -61.07 -63.21 2.35 22 0 "[ . 1 . 2 . 3]"
14 . 1 24 ALA C 1 25 THR N 1 25 THR CA 1 25 THR C -77.00 -61.00 -62.89 -66.94 -60.58 0.42 5 0 "[ . 1 . 2 . 3]"
15 . 1 25 THR C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -64.00 -58.00 -64.81 -65.89 -63.80 1.89 23 0 "[ . 1 . 2 . 3]"
16 . 1 26 LEU C 1 27 GLN N 1 27 GLN CA 1 27 GLN C -70.00 -60.00 -60.50 -60.13 -60.51 0.79 14 0 "[ . 1 . 2 . 3]"
17 . 1 27 GLN C 1 28 ASN N 1 28 ASN CA 1 28 ASN C -70.00 -60.00 -68.26 -72.07 -62.78 2.07 13 0 "[ . 1 . 2 . 3]"
18 . 1 28 ASN C 1 29 ARG N 1 29 ARG CA 1 29 ARG C -105.00 -79.00 -83.13 -80.09 -80.97 0.73 17 0 "[ . 1 . 2 . 3]"
19 . 1 29 ARG C 1 30 GLY N 1 30 GLY CA 1 30 GLY C 84.00 100.00 95.85 86.24 100.75 0.75 21 0 "[ . 1 . 2 . 3]"
20 . 1 31 PHE C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -128.00 -78.00 -100.11 -113.73 -88.26 . . 0 "[ . 1 . 2 . 3]"
21 . 1 32 LYS C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -142.00 -118.00 -128.00 -123.76 -126.10 0.71 3 0 "[ . 1 . 2 . 3]"
22 . 1 33 ILE C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -143.50 -111.10 -116.88 -112.35 -115.46 1.99 22 0 "[ . 1 . 2 . 3]"
23 . 1 34 ARG C 1 35 THR N 1 35 THR CA 1 35 THR C -134.90 -99.70 -108.11 -98.90 -99.33 1.24 30 0 "[ . 1 . 2 . 3]"
24 . 1 35 THR C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -144.50 -112.30 -113.02 -111.61 -111.63 1.32 6 0 "[ . 1 . 2 . 3]"
25 . 1 36 LEU C 1 37 GLN N 1 37 GLN CA 1 37 GLN C -131.50 -89.70 -108.37 -125.75 -89.13 0.57 15 0 "[ . 1 . 2 . 3]"
26 . 1 37 GLN C 1 38 LYS N 1 38 LYS CA 1 38 LYS C -139.00 -115.00 -128.84 -134.97 -136.76 0.81 25 0 "[ . 1 . 2 . 3]"
27 . 1 38 LYS C 1 39 PRO N 1 39 PRO CA 1 39 PRO C -114.00 -44.00 -86.75 -97.56 -76.19 . . 0 "[ . 1 . 2 . 3]"
28 . 1 42 THR C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -115.00 -89.00 -94.15 -88.59 -88.63 1.90 13 0 "[ . 1 . 2 . 3]"
29 . 1 44 PRO C 1 45 PRO N 1 45 PRO CA 1 45 PRO C -71.00 -57.00 -59.12 -60.73 -64.16 2.35 15 0 "[ . 1 . 2 . 3]"
30 . 1 45 PRO C 1 46 ASP N 1 46 ASP CA 1 46 ASP C -78.00 -58.00 -59.11 -58.01 -59.67 2.75 21 0 "[ . 1 . 2 . 3]"
31 . 1 47 HIS C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -96.90 -63.30 -68.06 -69.61 -75.26 1.42 19 0 "[ . 1 . 2 . 3]"
32 . 1 48 VAL C 1 49 ILE N 1 49 ILE CA 1 49 ILE C -106.00 -85.00 -95.02 -99.91 -104.03 0.81 30 0 "[ . 1 . 2 . 3]"
33 . 1 49 ILE C 1 50 GLY N 1 50 GLY CA 1 50 GLY C -173.90 -147.10 -153.01 -174.88 -144.29 2.81 8 0 "[ . 1 . 2 . 3]"
34 . 1 50 GLY C 1 51 THR N 1 51 THR CA 1 51 THR C -155.00 -115.00 -119.13 -129.04 -132.58 2.43 16 0 "[ . 1 . 2 . 3]"
35 . 1 51 THR C 1 52 ASP N 1 52 ASP CA 1 52 ASP C -139.00 -103.00 -100.57 -104.18 -97.53 5.47 23 2 "[ - 1 . 2 + . 3]"
36 . 1 54 ALA C 1 55 ALA N 1 55 ALA CA 1 55 ALA C -86.00 -52.00 -72.22 -71.30 -72.30 0.55 21 0 "[ . 1 . 2 . 3]"
37 . 1 57 THR C 1 58 SER N 1 58 SER CA 1 58 SER C -105.00 -75.00 -74.77 -82.54 -73.12 1.88 23 0 "[ . 1 . 2 . 3]"
38 . 1 58 SER C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -142.90 -99.70 -123.89 -126.28 -127.51 . . 0 "[ . 1 . 2 . 3]"
39 . 1 59 VAL C 1 60 SER N 1 60 SER CA 1 60 SER C -116.00 -56.00 -71.39 -68.27 -69.23 . . 0 "[ . 1 . 2 . 3]"
40 . 1 60 SER C 1 61 ALA N 1 61 ALA CA 1 61 ALA C -84.00 -52.00 -63.88 -73.38 -51.91 0.09 17 0 "[ . 1 . 2 . 3]"
41 . 1 63 ASP C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -134.00 -82.00 -103.42 -114.06 -115.10 . . 0 "[ . 1 . 2 . 3]"
42 . 1 64 GLU C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -125.00 -98.00 -113.24 -109.21 -110.28 0.24 4 0 "[ . 1 . 2 . 3]"
43 . 1 65 ILE C 1 66 THR N 1 66 THR CA 1 66 THR C -119.60 -79.80 -94.57 -113.20 -85.13 . . 0 "[ . 1 . 2 . 3]"
44 . 1 66 THR C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -126.50 -97.70 -107.81 -104.36 -105.48 0.89 9 0 "[ . 1 . 2 . 3]"
45 . 1 67 VAL C 1 68 ASN N 1 68 ASN CA 1 68 ASN C -124.50 -85.10 -96.04 -110.05 -84.85 0.25 9 0 "[ . 1 . 2 . 3]"
46 . 1 68 ASN C 1 69 VAL N 1 69 VAL CA 1 69 VAL C -139.30 -103.10 -126.65 -123.75 -124.57 . . 0 "[ . 1 . 2 . 3]"
47 . 1 69 VAL C 1 70 SER N 1 70 SER CA 1 70 SER C -131.00 -85.00 -93.78 -106.51 -126.74 0.76 19 0 "[ . 1 . 2 . 3]"
48 . 1 70 SER C 1 71 THR N 1 71 THR CA 1 71 THR C -117.00 -79.00 -118.76 -121.80 -101.46 4.80 15 0 "[ . 1 . 2 . 3]"
49 . 1 72 GLY C 1 73 PRO N 1 73 PRO CA 1 73 PRO C -100.00 -54.00 -79.82 -97.18 -54.71 . . 0 "[ . 1 . 2 . 3]"
50 . 1 73 PRO C 1 74 GLU N 1 74 GLU CA 1 74 GLU C -139.00 -73.00 -77.58 -89.40 -71.99 1.01 27 0 "[ . 1 . 2 . 3]"
51 . 1 74 GLU C 1 75 GLN N 1 75 GLN CA 1 75 GLN C -135.00 -89.00 -121.63 -131.97 -100.70 . . 0 "[ . 1 . 2 . 3]"
52 . 1 75 GLN C 1 76 ARG N 1 76 ARG CA 1 76 ARG C -153.00 -123.00 -137.71 -153.51 -122.20 0.80 24 0 "[ . 1 . 2 . 3]"
53 . 1 76 ARG C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -120.00 -84.00 -85.79 -93.79 -81.74 2.26 18 0 "[ . 1 . 2 . 3]"
54 . 1 77 GLU C 1 78 ILE N 1 78 ILE CA 1 78 ILE C -111.00 -81.00 -82.25 -94.28 -78.70 2.30 8 0 "[ . 1 . 2 . 3]"
55 . 1 78 ILE C 1 79 PRO N 1 79 PRO CA 1 79 PRO C -70.00 -54.00 -64.03 -65.86 -69.71 2.01 19 0 "[ . 1 . 2 . 3]"
56 . 1 82 SER C 1 83 THR N 1 83 THR CA 1 83 THR C -69.00 -57.00 -65.22 -69.84 -57.01 0.84 12 0 "[ . 1 . 2 . 3]"
57 . 1 83 THR C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -90.00 -58.00 -81.61 -78.10 -81.28 1.26 16 0 "[ . 1 . 2 . 3]"
58 . 1 85 THR C 1 86 TYR N 1 86 TYR CA 1 86 TYR C -71.00 -53.00 -59.33 -65.09 -53.77 . . 0 "[ . 1 . 2 . 3]"
59 . 1 86 TYR C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -65.00 -55.00 -59.35 -65.24 -55.32 0.24 14 0 "[ . 1 . 2 . 3]"
60 . 1 87 ALA C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -70.00 -62.00 -65.83 -70.88 -61.22 0.88 11 0 "[ . 1 . 2 . 3]"
61 . 1 88 GLU C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -71.00 -61.00 -60.28 -61.01 -59.18 1.82 11 0 "[ . 1 . 2 . 3]"
62 . 1 89 ALA C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -67.00 -59.00 -62.87 -64.57 -65.85 1.76 1 0 "[ . 1 . 2 . 3]"
63 . 1 90 VAL C 1 91 LYS N 1 91 LYS CA 1 91 LYS C -67.00 -61.00 -65.18 -67.94 -69.28 2.28 1 0 "[ . 1 . 2 . 3]"
64 . 1 91 LYS C 1 92 LYS N 1 92 LYS CA 1 92 LYS C -66.00 -62.00 -65.62 -66.33 -66.57 2.62 14 0 "[ . 1 . 2 . 3]"
65 . 1 92 LYS C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -68.00 -64.00 -66.89 -66.31 -66.94 0.44 6 0 "[ . 1 . 2 . 3]"
66 . 1 93 LEU C 1 94 THR N 1 94 THR CA 1 94 THR C -70.00 -60.00 -64.87 -69.24 -61.25 . . 0 "[ . 1 . 2 . 3]"
67 . 1 94 THR C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -71.00 -61.00 -68.43 -65.31 -66.16 0.53 20 0 "[ . 1 . 2 . 3]"
68 . 1 95 ALA C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -90.00 -80.00 -81.27 -89.73 -79.20 0.80 8 0 "[ . 1 . 2 . 3]"
69 . 1 99 GLY C 1 100 ARG N 1 100 ARG CA 1 100 ARG C -128.00 -90.00 -113.96 -115.75 -118.21 0.35 1 0 "[ . 1 . 2 . 3]"
70 . 1 100 ARG C 1 101 PHE N 1 101 PHE CA 1 101 PHE C -147.00 -115.00 -128.97 -120.03 -123.46 . . 0 "[ . 1 . 2 . 3]"
71 . 1 101 PHE C 1 102 LYS N 1 102 LYS CA 1 102 LYS C -162.80 -131.80 -142.88 -140.53 -141.88 . . 0 "[ . 1 . 2 . 3]"
72 . 1 102 LYS C 1 103 GLN N 1 103 GLN CA 1 103 GLN C -121.60 -81.20 -99.29 -121.96 -83.93 0.36 26 0 "[ . 1 . 2 . 3]"
73 . 1 103 GLN C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -155.30 -117.30 -133.00 -128.69 -129.78 . . 0 "[ . 1 . 2 . 3]"
74 . 1 104 ALA C 1 105 ASN N 1 105 ASN CA 1 105 ASN C -137.30 -113.10 -123.47 -133.93 -112.74 0.36 19 0 "[ . 1 . 2 . 3]"
75 . 1 105 ASN C 1 106 SER N 1 106 SER CA 1 106 SER C -152.50 -117.30 -127.90 -121.11 -123.19 0.37 11 0 "[ . 1 . 2 . 3]"
76 . 1 106 SER C 1 107 PRO N 1 107 PRO CA 1 107 PRO C -118.00 -62.00 -62.76 -61.45 -61.51 1.29 27 0 "[ . 1 . 2 . 3]"
77 . 1 107 PRO C 1 108 SER N 1 108 SER CA 1 108 SER C -148.00 -106.00 -137.25 -133.11 -133.44 0.26 16 0 "[ . 1 . 2 . 3]"
78 . 1 109 THR C 1 110 PRO N 1 110 PRO CA 1 110 PRO C -68.00 -50.00 -50.41 -50.15 -50.60 1.21 16 0 "[ . 1 . 2 . 3]"
79 . 1 110 PRO C 1 111 GLU N 1 111 GLU CA 1 111 GLU C -75.00 -61.00 -70.50 -76.44 -60.11 1.44 22 0 "[ . 1 . 2 . 3]"
80 . 1 111 GLU C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -114.00 -88.00 -101.54 -107.59 -110.44 0.33 13 0 "[ . 1 . 2 . 3]"
81 . 1 112 LEU C 1 113 VAL N 1 113 VAL CA 1 113 VAL C -58.80 -50.20 -59.58 -59.76 -59.89 1.63 8 0 "[ . 1 . 2 . 3]"
82 . 1 113 VAL C 1 114 GLY N 1 114 GLY CA 1 114 GLY C 71.40 100.00 93.42 98.60 96.60 0.84 20 0 "[ . 1 . 2 . 3]"
83 . 1 114 GLY C 1 115 LYS N 1 115 LYS CA 1 115 LYS C -144.60 -101.20 -109.83 -131.22 -100.64 0.56 5 0 "[ . 1 . 2 . 3]"
84 . 1 115 LYS C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -83.30 -69.50 -83.64 -83.99 -84.02 1.37 4 0 "[ . 1 . 2 . 3]"
85 . 1 116 VAL C 1 117 ILE N 1 117 ILE CA 1 117 ILE C -117.00 -97.00 -97.96 -97.37 -97.66 1.58 12 0 "[ . 1 . 2 . 3]"
86 . 1 118 GLY C 1 119 THR N 1 119 THR CA 1 119 THR C -143.00 -117.00 -124.39 -137.22 -116.30 0.70 15 0 "[ . 1 . 2 . 3]"
87 . 1 121 PRO C 1 122 PRO N 1 122 PRO CA 1 122 PRO C -77.00 -63.00 -64.91 -77.12 -61.48 1.52 20 0 "[ . 1 . 2 . 3]"
88 . 1 123 ALA C 1 124 ASN N 1 124 ASN CA 1 124 ASN C -108.00 -70.00 -107.64 -111.66 -83.54 3.66 3 0 "[ . 1 . 2 . 3]"
89 . 1 126 THR C 1 127 SER N 1 127 SER CA 1 127 SER C -137.00 -101.00 -120.51 -137.84 -100.88 0.84 4 0 "[ . 1 . 2 . 3]"
90 . 1 128 ALA C 1 129 ILE N 1 129 ILE CA 1 129 ILE C -87.00 -61.00 -65.92 -77.08 -60.15 0.85 1 0 "[ . 1 . 2 . 3]"
91 . 1 129 ILE C 1 130 THR N 1 130 THR CA 1 130 THR C -114.00 -88.00 -90.10 -90.18 -91.55 1.36 2 0 "[ . 1 . 2 . 3]"
92 . 1 130 THR C 1 131 ASN N 1 131 ASN CA 1 131 ASN C -137.00 -63.00 -86.98 -110.45 -70.42 . . 0 "[ . 1 . 2 . 3]"
93 . 1 131 ASN C 1 132 VAL N 1 132 VAL CA 1 132 VAL C -108.00 -80.00 -81.72 -82.64 -82.99 0.99 12 0 "[ . 1 . 2 . 3]"
94 . 1 132 VAL C 1 133 VAL N 1 133 VAL CA 1 133 VAL C -128.00 -88.00 -88.36 -88.45 -89.06 1.48 24 0 "[ . 1 . 2 . 3]"
95 . 1 133 VAL C 1 134 ILE N 1 134 ILE CA 1 134 ILE C -117.00 -93.00 -92.68 -92.60 -92.70 1.80 22 0 "[ . 1 . 2 . 3]"
96 . 1 134 ILE C 1 135 ILE N 1 135 ILE CA 1 135 ILE C -133.00 -93.00 -101.73 -112.43 -92.75 0.25 17 0 "[ . 1 . 2 . 3]"
97 . 1 135 ILE C 1 136 ILE N 1 136 ILE CA 1 136 ILE C -118.00 -92.00 -102.82 -105.59 -106.10 . . 0 "[ . 1 . 2 . 3]"
98 . 1 136 ILE C 1 137 VAL N 1 137 VAL CA 1 137 VAL C -143.00 -99.00 -97.79 -98.32 -98.67 2.33 20 0 "[ . 1 . 2 . 3]"
99 . 1 138 GLY C 1 139 SER N 1 139 SER CA 1 139 SER C -141.00 -95.00 -137.23 -143.37 -116.34 2.37 12 0 "[ . 1 . 2 . 3]"
100 . 1 5 ILE N 1 5 ILE CA 1 5 ILE C 1 6 THR N 105.00 157.00 144.14 117.74 158.83 1.83 13 0 "[ . 1 . 2 . 3]"
101 . 1 8 ASP N 1 8 ASP CA 1 8 ASP C 1 9 VAL N 118.00 148.00 136.57 117.20 148.68 0.80 5 0 "[ . 1 . 2 . 3]"
102 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 GLN N 137.00 163.00 154.04 139.91 165.47 2.47 23 0 "[ . 1 . 2 . 3]"
103 . 1 10 GLN N 1 10 GLN CA 1 10 GLN C 1 11 VAL N 118.00 136.00 136.79 132.12 139.03 3.03 14 0 "[ . 1 . 2 . 3]"
104 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 PRO N 119.00 141.00 131.21 133.20 131.56 1.04 20 0 "[ . 1 . 2 . 3]"
105 . 1 15 ARG N 1 15 ARG CA 1 15 ARG C 1 16 GLY N 126.00 144.00 138.60 125.08 146.74 2.74 12 0 "[ . 1 . 2 . 3]"
106 . 1 16 GLY N 1 16 GLY CA 1 16 GLY C 1 17 GLN N -24.00 0.00 -2.33 -18.65 1.56 1.56 3 0 "[ . 1 . 2 . 3]"
107 . 1 19 SER N 1 19 SER CA 1 19 SER C 1 20 ALA N -46.00 -34.00 -36.81 -45.66 -33.23 0.77 17 0 "[ . 1 . 2 . 3]"
108 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 ASP N -46.00 -34.00 -43.42 -46.76 -35.83 0.76 8 0 "[ . 1 . 2 . 3]"
109 . 1 21 ASP N 1 21 ASP CA 1 21 ASP C 1 22 ALA N -49.00 -35.00 -40.20 -38.36 -39.73 0.26 2 0 "[ . 1 . 2 . 3]"
110 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 ILE N -51.00 -35.00 -49.47 -52.08 -43.18 1.08 18 0 "[ . 1 . 2 . 3]"
111 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 ALA N -46.00 -38.00 -45.05 -45.45 -46.02 2.06 22 0 "[ . 1 . 2 . 3]"
112 . 1 24 ALA N 1 24 ALA CA 1 24 ALA C 1 25 THR N -47.00 -27.00 -43.04 -44.80 -45.55 0.51 22 0 "[ . 1 . 2 . 3]"
113 . 1 25 THR N 1 25 THR CA 1 25 THR C 1 26 LEU N -47.00 -35.00 -47.38 -48.66 -44.25 1.66 2 0 "[ . 1 . 2 . 3]"
114 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 GLN N -51.00 -39.00 -39.03 -42.44 -37.47 1.53 14 0 "[ . 1 . 2 . 3]"
115 . 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1 28 ASN N -48.00 -36.00 -45.50 -41.98 -42.73 0.88 13 0 "[ . 1 . 2 . 3]"
116 . 1 28 ASN N 1 28 ASN CA 1 28 ASN C 1 29 ARG N -39.00 -17.00 -25.99 -31.34 -33.71 0.53 13 0 "[ . 1 . 2 . 3]"
117 . 1 29 ARG N 1 29 ARG CA 1 29 ARG C 1 30 GLY N -14.00 16.00 -12.94 -15.83 -4.23 1.83 19 0 "[ . 1 . 2 . 3]"
118 . 1 30 GLY N 1 30 GLY CA 1 30 GLY C 1 31 PHE N -8.00 16.00 9.05 4.68 0.85 0.78 14 0 "[ . 1 . 2 . 3]"
119 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 ILE N 133.00 161.00 143.51 132.35 161.58 0.65 12 0 "[ . 1 . 2 . 3]"
120 . 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 ARG N 123.00 157.00 142.97 132.61 157.48 0.48 28 0 "[ . 1 . 2 . 3]"
121 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 THR N 128.30 147.30 132.38 128.55 128.38 1.79 22 0 "[ . 1 . 2 . 3]"
122 . 1 35 THR N 1 35 THR CA 1 35 THR C 1 36 LEU N 118.20 143.40 123.31 117.65 136.65 0.55 10 0 "[ . 1 . 2 . 3]"
123 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 GLN N 120.00 153.60 119.72 125.30 120.33 2.11 26 0 "[ . 1 . 2 . 3]"
124 . 1 37 GLN N 1 37 GLN CA 1 37 GLN C 1 38 LYS N 122.60 146.60 126.74 142.78 141.29 1.03 18 0 "[ . 1 . 2 . 3]"
125 . 1 38 LYS N 1 38 LYS CA 1 38 LYS C 1 39 PRO N 116.00 148.00 131.99 115.70 148.85 0.85 22 0 "[ . 1 . 2 . 3]"
126 . 1 39 PRO N 1 39 PRO CA 1 39 PRO C 1 40 ASP N 130.00 176.00 137.45 134.70 134.40 1.66 3 0 "[ . 1 . 2 . 3]"
127 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 PRO N 99.00 151.00 142.32 138.56 127.45 1.60 24 0 "[ . 1 . 2 . 3]"
128 . 1 45 PRO N 1 45 PRO CA 1 45 PRO C 1 46 ASP N 130.00 160.00 160.02 161.37 160.94 4.54 21 0 "[ . 1 . 2 . 3]"
129 . 1 46 ASP N 1 46 ASP CA 1 46 ASP C 1 47 HIS N -32.00 -10.00 -8.67 -13.28 -6.86 3.14 26 0 "[ . 1 . 2 . 3]"
130 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 ILE N 120.00 132.80 118.38 118.17 118.01 3.14 16 0 "[ . 1 . 2 . 3]"
131 . 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 GLY N -47.40 -29.60 -30.42 -47.10 -27.21 2.39 8 0 "[ . 1 . 2 . 3]"
132 . 1 50 GLY N 1 50 GLY CA 1 50 GLY C 1 51 THR N 158.30 170.30 160.80 156.77 170.59 1.53 14 0 "[ . 1 . 2 . 3]"
133 . 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 ASP N 152.00 180.00 -177.38 -179.85 -174.46 5.54 30 3 "[ . 1 * 2 - +]"
134 . 1 52 ASP N 1 52 ASP CA 1 52 ASP C 1 53 PRO N 127.00 155.00 140.63 147.55 145.70 0.20 26 0 "[ . 1 . 2 . 3]"
135 . 1 55 ALA N 1 55 ALA CA 1 55 ALA C 1 56 ASN N -50.00 -8.00 -39.12 -51.45 -24.52 1.45 30 0 "[ . 1 . 2 . 3]"
136 . 1 58 SER N 1 58 SER CA 1 58 SER C 1 59 VAL N 114.00 144.00 113.86 113.53 113.34 1.73 18 0 "[ . 1 . 2 . 3]"
137 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 SER N 147.40 169.00 168.16 166.81 165.47 1.71 4 0 "[ . 1 . 2 . 3]"
138 . 1 60 SER N 1 60 SER CA 1 60 SER C 1 61 ALA N 132.00 158.00 143.77 144.66 142.99 0.73 3 0 "[ . 1 . 2 . 3]"
139 . 1 61 ALA N 1 61 ALA CA 1 61 ALA C 1 62 GLY N 110.00 146.00 117.32 108.17 138.61 1.83 12 0 "[ . 1 . 2 . 3]"
140 . 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 ILE N 109.00 141.00 127.98 108.97 141.36 0.36 7 0 "[ . 1 . 2 . 3]"
141 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 THR N 100.90 137.30 129.63 135.24 133.42 1.46 18 0 "[ . 1 . 2 . 3]"
142 . 1 66 THR N 1 66 THR CA 1 66 THR C 1 67 VAL N 119.30 130.50 126.16 118.67 131.89 1.39 18 0 "[ . 1 . 2 . 3]"
143 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 ASN N 113.00 134.20 124.69 119.58 118.78 0.47 13 0 "[ . 1 . 2 . 3]"
144 . 1 68 ASN N 1 68 ASN CA 1 68 ASN C 1 69 VAL N 111.50 128.50 126.70 114.62 129.85 1.35 15 0 "[ . 1 . 2 . 3]"
145 . 1 69 VAL N 1 69 VAL CA 1 69 VAL C 1 70 SER N 132.00 152.40 140.80 130.63 152.89 1.37 14 0 "[ . 1 . 2 . 3]"
146 . 1 70 SER N 1 70 SER CA 1 70 SER C 1 71 THR N 124.00 158.00 123.04 119.71 130.82 4.29 15 0 "[ . 1 . 2 . 3]"
147 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 GLY N 108.00 156.00 107.43 103.46 156.84 4.54 23 0 "[ . 1 . 2 . 3]"
148 . 1 73 PRO N 1 73 PRO CA 1 73 PRO C 1 74 GLU N 129.00 157.00 141.96 127.69 157.92 1.31 17 0 "[ . 1 . 2 . 3]"
149 . 1 74 GLU N 1 74 GLU CA 1 74 GLU C 1 75 GLN N 108.00 166.00 143.39 124.19 164.91 . . 0 "[ . 1 . 2 . 3]"
150 . 1 75 GLN N 1 75 GLN CA 1 75 GLN C 1 76 ARG N 111.00 157.00 143.98 155.67 154.23 0.48 9 0 "[ . 1 . 2 . 3]"
151 . 1 76 ARG N 1 76 ARG CA 1 76 ARG C 1 77 GLU N 140.00 164.00 155.55 163.73 159.51 1.45 30 0 "[ . 1 . 2 . 3]"
152 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 ILE N 102.00 138.00 137.57 119.25 140.18 2.18 4 0 "[ . 1 . 2 . 3]"
153 . 1 78 ILE N 1 78 ILE CA 1 78 ILE C 1 79 PRO N 111.00 131.00 123.25 119.24 117.24 1.36 19 0 "[ . 1 . 2 . 3]"
154 . 1 79 PRO N 1 79 PRO CA 1 79 PRO C 1 80 ASP N 142.00 160.00 141.40 141.17 141.08 1.94 14 0 "[ . 1 . 2 . 3]"
155 . 1 83 THR N 1 83 THR CA 1 83 THR C 1 84 LEU N -40.00 -14.00 -19.00 -34.33 -12.54 1.46 25 0 "[ . 1 . 2 . 3]"
156 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 THR N -48.00 -12.00 -43.64 -45.51 -47.08 1.27 19 0 "[ . 1 . 2 . 3]"
157 . 1 86 TYR N 1 86 TYR CA 1 86 TYR C 1 87 ALA N -53.00 -39.00 -46.33 -53.57 -38.66 0.57 3 0 "[ . 1 . 2 . 3]"
158 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 GLU N -47.00 -37.00 -42.92 -38.15 -40.14 1.00 11 0 "[ . 1 . 2 . 3]"
159 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 ALA N -46.00 -36.00 -39.52 -46.32 -34.70 1.30 11 0 "[ . 1 . 2 . 3]"
160 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 VAL N -51.00 -39.00 -49.39 -51.72 -52.15 1.18 17 0 "[ . 1 . 2 . 3]"
161 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 LYS N -49.00 -39.00 -44.62 -44.12 -45.34 2.05 1 0 "[ . 1 . 2 . 3]"
162 . 1 91 LYS N 1 91 LYS CA 1 91 LYS C 1 92 LYS N -47.00 -35.00 -46.74 -50.71 -40.67 3.71 14 0 "[ . 1 . 2 . 3]"
163 . 1 92 LYS N 1 92 LYS CA 1 92 LYS C 1 93 LEU N -47.00 -39.00 -42.01 -47.74 -37.95 1.05 10 0 "[ . 1 . 2 . 3]"
164 . 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 THR N -43.00 -33.00 -39.34 -43.69 -32.48 0.69 23 0 "[ . 1 . 2 . 3]"
165 . 1 94 THR N 1 94 THR CA 1 94 THR C 1 95 ALA N -47.00 -39.00 -40.97 -39.95 -40.38 0.87 6 0 "[ . 1 . 2 . 3]"
166 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 ALA N -36.00 -16.00 -25.70 -34.31 -15.97 0.03 26 0 "[ . 1 . 2 . 3]"
167 . 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 GLY N -13.00 5.00 -11.35 -14.66 0.24 1.66 6 0 "[ . 1 . 2 . 3]"
168 . 1 100 ARG N 1 100 ARG CA 1 100 ARG C 1 101 PHE N 112.00 146.00 111.48 110.42 114.29 1.58 23 0 "[ . 1 . 2 . 3]"
169 . 1 101 PHE N 1 101 PHE CA 1 101 PHE C 1 102 LYS N 130.00 164.00 152.76 157.69 156.54 . . 0 "[ . 1 . 2 . 3]"
170 . 1 102 LYS N 1 102 LYS CA 1 102 LYS C 1 103 GLN N 123.50 148.10 124.14 121.00 136.10 2.50 3 0 "[ . 1 . 2 . 3]"
171 . 1 103 GLN N 1 103 GLN CA 1 103 GLN C 1 104 ALA N 116.50 134.70 132.04 122.36 135.76 1.06 24 0 "[ . 1 . 2 . 3]"
172 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 ASN N 135.40 165.00 153.99 135.69 166.30 1.30 19 0 "[ . 1 . 2 . 3]"
173 . 1 105 ASN N 1 105 ASN CA 1 105 ASN C 1 106 SER N 129.80 149.40 138.01 129.17 150.31 0.91 16 0 "[ . 1 . 2 . 3]"
174 . 1 106 SER N 1 106 SER CA 1 106 SER C 1 107 PRO N 131.70 149.70 138.97 129.57 150.35 2.13 11 0 "[ . 1 . 2 . 3]"
175 . 1 107 PRO N 1 107 PRO CA 1 107 PRO C 1 108 SER N 121.00 153.00 124.56 118.73 135.18 2.27 22 0 "[ . 1 . 2 . 3]"
176 . 1 108 SER N 1 108 SER CA 1 108 SER C 1 109 THR N 157.00 -179.00 174.93 160.28 -176.49 2.51 24 0 "[ . 1 . 2 . 3]"
177 . 1 110 PRO N 1 110 PRO CA 1 110 PRO C 1 111 GLU N -44.00 -24.00 -27.15 -36.26 -22.88 1.12 25 0 "[ . 1 . 2 . 3]"
178 . 1 111 GLU N 1 111 GLU CA 1 111 GLU C 1 112 LEU N -32.00 -6.00 -21.88 -18.33 -18.45 1.11 9 0 "[ . 1 . 2 . 3]"
179 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 VAL N -18.00 12.00 -0.11 -18.67 12.57 0.67 30 0 "[ . 1 . 2 . 3]"
180 . 1 113 VAL N 1 113 VAL CA 1 113 VAL C 1 114 GLY N 127.60 136.40 128.35 125.93 136.58 1.67 14 0 "[ . 1 . 2 . 3]"
181 . 1 114 GLY N 1 114 GLY CA 1 114 GLY C 1 115 LYS N -21.00 10.40 -4.44 -15.60 11.10 0.70 8 0 "[ . 1 . 2 . 3]"
182 . 1 115 LYS N 1 115 LYS CA 1 115 LYS C 1 116 VAL N 139.60 165.80 153.70 160.79 159.14 0.66 25 0 "[ . 1 . 2 . 3]"
183 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 ILE N 124.10 143.30 133.09 135.71 135.55 . . 0 "[ . 1 . 2 . 3]"
184 . 1 117 ILE N 1 117 ILE CA 1 117 ILE C 1 118 GLY N -43.00 -5.00 -16.20 -27.22 -5.15 . . 0 "[ . 1 . 2 . 3]"
185 . 1 119 THR N 1 119 THR CA 1 119 THR C 1 120 ASN N 141.00 167.00 153.96 144.20 161.87 . . 0 "[ . 1 . 2 . 3]"
186 . 1 122 PRO N 1 122 PRO CA 1 122 PRO C 1 123 ALA N 128.00 162.00 144.06 134.56 130.73 1.48 6 0 "[ . 1 . 2 . 3]"
187 . 1 124 ASN N 1 124 ASN CA 1 124 ASN C 1 125 GLN N -46.00 12.00 -2.03 -22.28 12.24 0.24 7 0 "[ . 1 . 2 . 3]"
188 . 1 127 SER N 1 127 SER CA 1 127 SER C 1 128 ALA N 122.00 148.00 148.61 148.84 148.59 2.38 4 0 "[ . 1 . 2 . 3]"
189 . 1 129 ILE N 1 129 ILE CA 1 129 ILE C 1 130 THR N -40.00 -4.00 -17.72 -29.46 -35.61 0.67 27 0 "[ . 1 . 2 . 3]"
190 . 1 130 THR N 1 130 THR CA 1 130 THR C 1 131 ASN N -17.00 5.00 1.69 -11.02 5.79 0.79 4 0 "[ . 1 . 2 . 3]"
191 . 1 131 ASN N 1 131 ASN CA 1 131 ASN C 1 132 VAL N 130.00 162.00 137.50 128.84 147.63 1.16 2 0 "[ . 1 . 2 . 3]"
192 . 1 132 VAL N 1 132 VAL CA 1 132 VAL C 1 133 VAL N 114.00 126.00 117.93 121.39 119.55 1.29 29 0 "[ . 1 . 2 . 3]"
193 . 1 133 VAL N 1 133 VAL CA 1 133 VAL C 1 134 ILE N 121.00 141.00 119.36 118.22 120.74 2.78 16 0 "[ . 1 . 2 . 3]"
194 . 1 134 ILE N 1 134 ILE CA 1 134 ILE C 1 135 ILE N 113.00 129.00 113.76 112.14 121.08 0.86 6 0 "[ . 1 . 2 . 3]"
195 . 1 135 ILE N 1 135 ILE CA 1 135 ILE C 1 136 ILE N 106.00 132.00 117.89 105.96 127.13 0.04 28 0 "[ . 1 . 2 . 3]"
196 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C 1 137 VAL N 110.00 124.00 118.11 109.30 124.35 0.70 16 0 "[ . 1 . 2 . 3]"
197 . 1 137 VAL N 1 137 VAL CA 1 137 VAL C 1 138 GLY N 110.00 152.00 137.57 124.43 144.00 . . 0 "[ . 1 . 2 . 3]"
198 . 1 139 SER N 1 139 SER CA 1 139 SER C 1 140 GLY N 104.00 144.00 120.19 136.49 132.39 1.93 2 0 "[ . 1 . 2 . 3]"
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