NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
582770 |
2mji   |
19727 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mji
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 167
_TA_constraint_stats_list.Viol_count 525
_TA_constraint_stats_list.Viol_total 5480.10
_TA_constraint_stats_list.Viol_max 4.87
_TA_constraint_stats_list.Viol_rms 0.73
_TA_constraint_stats_list.Viol_average_all_restraints 0.33
_TA_constraint_stats_list.Viol_average_violations_only 1.04
_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 1 ALA C 1 2 PHE N 1 2 PHE CA 1 2 PHE C -89.43 -49.43 -84.28 -89.48 -89.50 0.08 5 0 "[ . 1]"
2 . 1 4 SER C 1 5 THR N 1 5 THR CA 1 5 THR C -130.06 -90.06 -88.80 -89.28 -88.38 1.68 4 0 "[ . 1]"
3 . 1 5 THR C 1 6 TRP N 1 6 TRP CA 1 6 TRP C -141.24 -101.24 -115.59 -114.37 -114.46 . . 0 "[ . 1]"
4 . 1 6 TRP C 1 7 LYS N 1 7 LYS CA 1 7 LYS C -147.26 -107.26 -118.79 -118.90 -120.53 . . 0 "[ . 1]"
5 . 1 7 LYS C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -96.14 -56.14 -66.95 -72.99 -60.95 . . 0 "[ . 1]"
6 . 1 9 ASP C 1 10 ARG N 1 10 ARG CA 1 10 ARG C -174.36 -113.92 -125.15 -113.89 -117.11 0.17 10 0 "[ . 1]"
7 . 1 10 ARG C 1 11 SER N 1 11 SER CA 1 11 SER C -148.79 -93.77 -137.49 -130.26 -139.04 . . 0 "[ . 1]"
8 . 1 11 SER C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -153.08 -104.22 -137.78 -137.01 -138.99 . . 0 "[ . 1]"
9 . 1 13 ASN C 1 14 TYR N 1 14 TYR CA 1 14 TYR C -83.17 -43.17 -56.63 -56.61 -56.74 . . 0 "[ . 1]"
10 . 1 14 TYR C 1 15 ASP N 1 15 ASP CA 1 15 ASP C -81.35 -41.35 -56.02 -56.26 -57.25 . . 0 "[ . 1]"
11 . 1 15 ASP C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -83.24 -43.24 -51.65 -55.70 -47.49 . . 0 "[ . 1]"
12 . 1 16 LYS C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -83.59 -43.59 -73.11 -77.48 -70.41 . . 0 "[ . 1]"
13 . 1 17 PHE C 1 18 MET N 1 18 MET CA 1 18 MET C -84.47 -44.47 -68.62 -75.58 -53.77 . . 0 "[ . 1]"
14 . 1 18 MET C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -86.13 -46.13 -86.92 -87.65 -87.75 2.66 10 0 "[ . 1]"
15 . 1 19 GLU C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -84.25 -44.25 -57.90 -53.42 -56.60 . . 0 "[ . 1]"
16 . 1 23 VAL C 1 24 ASN N 1 24 ASN CA 1 24 ASN C -103.07 -44.11 -59.91 -101.87 -43.67 0.44 9 0 "[ . 1]"
17 . 1 25 ILE C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -81.90 -41.90 -50.11 -51.32 -52.84 . . 0 "[ . 1]"
18 . 1 26 VAL C 1 27 LYS N 1 27 LYS CA 1 27 LYS C -84.43 -44.43 -81.85 -86.53 -74.19 2.10 6 0 "[ . 1]"
19 . 1 27 LYS C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -90.99 -41.11 -69.42 -65.12 -72.70 . . 0 "[ . 1]"
20 . 1 28 ARG C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -92.21 -32.21 -47.17 -54.57 -42.09 . . 0 "[ . 1]"
21 . 1 29 LYS C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -107.72 -17.72 -98.59 -108.15 -77.41 0.43 4 0 "[ . 1]"
22 . 1 30 LEU C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -92.99 -32.99 -81.64 -93.74 -62.77 0.75 7 0 "[ . 1]"
23 . 1 31 ALA C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -97.89 -57.89 -55.72 -55.62 -55.84 4.21 3 0 "[ . 1]"
24 . 1 35 ASN C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -140.28 -79.60 -115.66 -111.82 -120.83 . . 0 "[ . 1]"
25 . 1 36 LEU C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -139.25 -99.25 -117.54 -114.32 -115.52 . . 0 "[ . 1]"
26 . 1 37 LYS C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -147.25 -107.25 -108.65 -111.26 -112.22 2.39 9 0 "[ . 1]"
27 . 1 38 LEU C 1 39 THR N 1 39 THR CA 1 39 THR C -125.45 -62.29 -113.60 -125.94 -99.43 0.49 5 0 "[ . 1]"
28 . 1 39 THR C 1 40 ILE N 1 40 ILE CA 1 40 ILE C -154.13 -98.37 -131.37 -139.15 -121.38 . . 0 "[ . 1]"
29 . 1 43 GLU C 1 44 GLY N 1 44 GLY CA 1 44 GLY C 50.57 90.57 58.98 50.04 82.08 0.53 5 0 "[ . 1]"
30 . 1 44 GLY C 1 45 ASN N 1 45 ASN CA 1 45 ASN C -118.16 -78.16 -83.25 -82.92 -86.91 0.36 10 0 "[ . 1]"
31 . 1 46 LYS C 1 47 PHE N 1 47 PHE CA 1 47 PHE C -152.34 -112.34 -112.99 -111.57 -112.07 3.51 3 0 "[ . 1]"
32 . 1 47 PHE C 1 48 THR N 1 48 THR CA 1 48 THR C -124.45 -77.17 -108.54 -126.47 -87.94 2.02 4 0 "[ . 1]"
33 . 1 48 THR C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -134.77 -94.77 -104.13 -108.63 -114.14 0.07 5 0 "[ . 1]"
34 . 1 49 VAL C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -127.27 -87.27 -113.50 -97.98 -107.01 . . 0 "[ . 1]"
35 . 1 50 LYS C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -126.73 -86.73 -98.28 -107.36 -86.23 0.50 6 0 "[ . 1]"
36 . 1 51 GLU C 1 52 SER N 1 52 SER CA 1 52 SER C -142.03 -102.03 -118.46 -105.73 -116.14 0.41 8 0 "[ . 1]"
37 . 1 52 SER C 1 53 SER N 1 53 SER CA 1 53 SER C -149.04 -94.34 -149.31 -149.40 -149.50 0.82 6 0 "[ . 1]"
38 . 1 54 ALA C 1 55 PHE N 1 55 PHE CA 1 55 PHE C -122.23 -77.17 -117.66 -122.96 -108.57 0.73 9 0 "[ . 1]"
39 . 1 56 ARG C 1 57 ASN N 1 57 ASN CA 1 57 ASN C -141.66 -86.58 -135.10 -141.93 -100.24 0.27 5 0 "[ . 1]"
40 . 1 57 ASN C 1 58 ILE N 1 58 ILE CA 1 58 ILE C -153.47 -104.65 -140.72 -125.09 -136.30 . . 0 "[ . 1]"
41 . 1 60 VAL C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -180.00 0.00 -84.79 -136.97 -60.04 . . 0 "[ . 1]"
42 . 1 61 VAL C 1 62 PHE N 1 62 PHE CA 1 62 PHE C -154.92 -114.84 -139.59 -156.82 -122.14 1.90 2 0 "[ . 1]"
43 . 1 62 PHE C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -147.56 -107.56 -136.54 -107.90 -127.72 3.06 8 0 "[ . 1]"
44 . 1 63 GLU C 1 64 LEU N 1 64 LEU CA 1 64 LEU C -111.69 -60.45 -66.04 -59.35 -59.94 1.23 3 0 "[ . 1]"
45 . 1 67 THR C 1 68 PHE N 1 68 PHE CA 1 68 PHE C -123.29 -83.29 -86.37 -81.74 -82.28 1.64 2 0 "[ . 1]"
46 . 1 68 PHE C 1 69 ASN N 1 69 ASN CA 1 69 ASN C -142.30 -102.30 -135.31 -130.28 -136.55 1.91 7 0 "[ . 1]"
47 . 1 78 LEU C 1 79 ARG N 1 79 ARG CA 1 79 ARG C -137.38 -97.38 -126.94 -124.85 -128.10 . . 0 "[ . 1]"
48 . 1 80 GLY C 1 81 THR N 1 81 THR CA 1 81 THR C -156.30 -113.04 -157.17 -157.74 -158.02 2.44 7 0 "[ . 1]"
49 . 1 81 THR C 1 82 TRP N 1 82 TRP CA 1 82 TRP C -155.88 -111.94 -140.17 -127.51 -143.91 0.89 6 0 "[ . 1]"
50 . 1 82 TRP C 1 83 SER N 1 83 SER CA 1 83 SER C -152.74 -110.42 -143.46 -144.57 -146.58 1.03 6 0 "[ . 1]"
51 . 1 83 SER C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -140.81 -100.81 -114.05 -127.35 -100.68 0.13 5 0 "[ . 1]"
52 . 1 84 LEU C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -139.55 -90.91 -121.99 -133.70 -113.55 . . 0 "[ . 1]"
53 . 1 85 GLU C 1 86 GLY N 1 86 GLY CA 1 86 GLY C 52.95 92.95 68.70 60.39 75.93 . . 0 "[ . 1]"
54 . 1 86 GLY C 1 87 ASN N 1 87 ASN CA 1 87 ASN C -114.40 -74.40 -110.07 -115.06 -102.93 0.66 6 0 "[ . 1]"
55 . 1 87 ASN C 1 88 LYS N 1 88 LYS CA 1 88 LYS C -149.93 -101.73 -134.35 -139.81 -124.39 . . 0 "[ . 1]"
56 . 1 88 LYS C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -129.25 -88.67 -120.08 -114.29 -116.30 0.45 10 0 "[ . 1]"
57 . 1 89 LEU C 1 90 ILE N 1 90 ILE CA 1 90 ILE C -127.87 -87.87 -122.76 -128.33 -128.54 1.39 6 0 "[ . 1]"
58 . 1 91 GLY C 1 92 LYS N 1 92 LYS CA 1 92 LYS C -152.22 -86.18 -151.94 -153.86 -154.88 3.35 7 0 "[ . 1]"
59 . 1 92 LYS C 1 93 PHE N 1 93 PHE CA 1 93 PHE C -144.61 -104.61 -133.48 -145.35 -100.22 4.39 8 0 "[ . 1]"
60 . 1 93 PHE C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -156.40 -121.04 -152.85 -152.61 -153.71 1.65 6 0 "[ . 1]"
61 . 1 94 LYS C 1 95 ARG N 1 95 ARG CA 1 95 ARG C -142.81 -74.29 -76.57 -76.25 -76.95 1.43 5 0 "[ . 1]"
62 . 1 95 ARG C 1 96 THR N 1 96 THR CA 1 96 THR C -85.61 -45.61 -74.62 -75.37 -77.76 . . 0 "[ . 1]"
63 . 1 100 ASN C 1 101 GLU N 1 101 GLU CA 1 101 GLU C -112.22 -63.12 -75.21 -78.95 -82.52 3.12 6 0 "[ . 1]"
64 . 1 101 GLU C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -143.74 -103.74 -139.89 -143.88 -134.36 0.14 7 0 "[ . 1]"
65 . 1 102 LEU C 1 103 ASN N 1 103 ASN CA 1 103 ASN C -139.26 -99.26 -108.30 -113.70 -121.31 . . 0 "[ . 1]"
66 . 1 103 ASN C 1 104 THR N 1 104 THR CA 1 104 THR C -145.20 -105.20 -145.84 -141.20 -145.65 1.82 5 0 "[ . 1]"
67 . 1 104 THR C 1 105 VAL N 1 105 VAL CA 1 105 VAL C -145.01 -105.01 -120.08 -123.26 -125.05 . . 0 "[ . 1]"
68 . 1 105 VAL C 1 106 ARG N 1 106 ARG CA 1 106 ARG C -146.11 -106.11 -118.30 -132.25 -105.93 0.18 1 0 "[ . 1]"
69 . 1 106 ARG C 1 107 GLU N 1 107 GLU CA 1 107 GLU C -151.36 -111.36 -117.45 -111.26 -113.18 0.17 2 0 "[ . 1]"
70 . 1 110 GLY C 1 111 ASP N 1 111 ASP CA 1 111 ASP C -114.32 -74.32 -91.33 -74.80 -75.96 . . 0 "[ . 1]"
71 . 1 111 ASP C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -141.34 -75.22 -129.05 -138.42 -111.69 . . 0 "[ . 1]"
72 . 1 112 GLU C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -118.47 -62.31 -119.65 -121.64 -113.84 3.17 2 0 "[ . 1]"
73 . 1 113 LEU C 1 114 VAL N 1 114 VAL CA 1 114 VAL C -130.65 -89.51 -106.58 -114.59 -103.36 . . 0 "[ . 1]"
74 . 1 114 VAL C 1 115 GLN N 1 115 GLN CA 1 115 GLN C -127.97 -87.97 -100.88 -94.18 -95.55 . . 0 "[ . 1]"
75 . 1 115 GLN C 1 116 THR N 1 116 THR CA 1 116 THR C -136.97 -96.97 -131.46 -138.24 -102.86 1.27 8 0 "[ . 1]"
76 . 1 116 THR C 1 117 TYR N 1 117 TYR CA 1 117 TYR C -142.37 -102.37 -111.93 -117.03 -102.86 . . 0 "[ . 1]"
77 . 1 117 TYR C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -150.18 -110.18 -149.29 -151.52 -139.29 1.34 9 0 "[ . 1]"
78 . 1 118 VAL C 1 119 TYR N 1 119 TYR CA 1 119 TYR C -154.89 -114.89 -151.84 -155.03 -155.34 1.01 3 0 "[ . 1]"
79 . 1 121 GLY C 1 122 VAL N 1 122 VAL CA 1 122 VAL C -106.33 -66.33 -101.08 -108.40 -77.83 2.07 3 0 "[ . 1]"
80 . 1 123 GLU C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -161.69 -121.69 -120.36 -122.31 -118.87 2.82 8 0 "[ . 1]"
81 . 1 124 ALA C 1 125 LYS N 1 125 LYS CA 1 125 LYS C -151.10 -111.10 -108.05 -109.24 -106.83 4.27 8 0 "[ . 1]"
82 . 1 125 LYS C 1 126 ARG N 1 126 ARG CA 1 126 ARG C -161.93 -121.93 -153.26 -162.78 -121.60 0.85 8 0 "[ . 1]"
83 . 1 128 PHE C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -142.00 -99.00 -143.39 -144.57 -142.15 2.57 3 0 "[ . 1]"
84 . 1 129 LYS C 1 130 LYS N 1 130 LYS CA 1 130 LYS C -107.31 -56.73 -107.80 -108.45 -108.71 1.75 8 0 "[ . 1]"
85 . 1 2 PHE N 1 2 PHE CA 1 2 PHE C 1 3 ASP N -54.56 -14.56 -50.50 -55.22 -45.74 0.66 2 0 "[ . 1]"
86 . 1 5 THR N 1 5 THR CA 1 5 THR C 1 6 TRP N 109.66 149.66 120.21 115.91 125.00 . . 0 "[ . 1]"
87 . 1 6 TRP N 1 6 TRP CA 1 6 TRP C 1 7 LYS N 117.10 157.10 126.71 121.25 130.71 . . 0 "[ . 1]"
88 . 1 7 LYS N 1 7 LYS CA 1 7 LYS C 1 8 VAL N 109.24 149.24 118.75 119.65 117.04 . . 0 "[ . 1]"
89 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 ASP N 111.64 151.64 135.27 129.71 141.22 . . 0 "[ . 1]"
90 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 SER N 141.39 -178.61 163.20 155.14 171.71 . . 0 "[ . 1]"
91 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 GLU N 128.83 168.83 156.15 137.52 166.22 . . 0 "[ . 1]"
92 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 ASN N 122.87 162.87 127.77 123.71 132.40 . . 0 "[ . 1]"
93 . 1 14 TYR N 1 14 TYR CA 1 14 TYR C 1 15 ASP N -63.30 -23.30 -45.08 -43.72 -44.49 . . 0 "[ . 1]"
94 . 1 15 ASP N 1 15 ASP CA 1 15 ASP C 1 16 LYS N -62.56 -22.56 -32.06 -36.11 -26.80 . . 0 "[ . 1]"
95 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 PHE N -59.33 -19.33 -41.68 -44.34 -38.74 . . 0 "[ . 1]"
96 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 MET N -65.08 -25.08 -27.73 -25.61 -30.40 1.52 2 0 "[ . 1]"
97 . 1 18 MET N 1 18 MET CA 1 18 MET C 1 19 GLU N -58.90 -18.90 -30.62 -36.35 -21.78 . . 0 "[ . 1]"
98 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 LYS N -58.33 -18.33 -60.58 -61.47 -59.86 3.14 3 0 "[ . 1]"
99 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 MET N -47.28 -7.28 -43.03 -47.99 -20.58 0.71 10 0 "[ . 1]"
100 . 1 25 ILE N 1 25 ILE CA 1 25 ILE C 1 26 VAL N -67.91 -27.91 -36.17 -33.79 -36.84 . . 0 "[ . 1]"
101 . 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 LYS N -60.06 -20.06 -50.91 -59.18 -44.16 . . 0 "[ . 1]"
102 . 1 27 LYS N 1 27 LYS CA 1 27 LYS C 1 28 ARG N -57.58 -17.58 -31.15 -32.22 -32.36 . . 0 "[ . 1]"
103 . 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 LYS N -61.64 -21.64 -24.95 -33.46 -20.14 1.50 6 0 "[ . 1]"
104 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 LEU N -65.70 -25.70 -46.40 -49.53 -56.43 . . 0 "[ . 1]"
105 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 ALA N -53.05 -13.05 -24.09 -14.75 -20.83 0.40 4 0 "[ . 1]"
106 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 ALA N -56.54 -16.54 -15.46 -14.44 -14.67 2.81 8 0 "[ . 1]"
107 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 HIS N -44.48 -1.06 -47.62 -47.78 -48.22 4.87 7 0 "[ . 1]"
108 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 LYS N 116.44 156.44 122.41 115.88 141.01 0.56 3 0 "[ . 1]"
109 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 LEU N 117.33 157.33 117.25 115.96 119.98 1.37 10 0 "[ . 1]"
110 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 THR N 113.15 153.15 122.54 123.33 113.00 1.40 1 0 "[ . 1]"
111 . 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 ILE N 123.50 163.50 152.77 161.11 153.98 . . 0 "[ . 1]"
112 . 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 THR N 116.33 156.33 133.16 128.23 125.25 . . 0 "[ . 1]"
113 . 1 44 GLY N 1 44 GLY CA 1 44 GLY C 1 45 ASN N -143.09 -103.09 -135.20 -143.34 -125.23 0.25 8 0 "[ . 1]"
114 . 1 45 ASN N 1 45 ASN CA 1 45 ASN C 1 46 LYS N -19.10 20.90 7.03 0.43 21.10 0.20 5 0 "[ . 1]"
115 . 1 47 PHE N 1 47 PHE CA 1 47 PHE C 1 48 THR N 133.97 173.97 150.78 142.83 133.80 1.54 1 0 "[ . 1]"
116 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 VAL N 120.29 161.51 122.93 119.34 137.92 0.95 7 0 "[ . 1]"
117 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 LYS N 112.19 152.19 118.88 111.11 126.59 1.08 2 0 "[ . 1]"
118 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 GLU N 112.69 152.69 113.14 111.90 111.84 1.21 7 0 "[ . 1]"
119 . 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 SER N 117.87 157.87 129.39 117.42 150.49 0.45 8 0 "[ . 1]"
120 . 1 52 SER N 1 52 SER CA 1 52 SER C 1 53 SER N 117.92 170.18 144.79 141.69 140.13 . . 0 "[ . 1]"
121 . 1 53 SER N 1 53 SER CA 1 53 SER C 1 54 ALA N 148.84 -171.16 175.30 146.94 -170.96 1.90 9 0 "[ . 1]"
122 . 1 55 PHE N 1 55 PHE CA 1 55 PHE C 1 56 ARG N -26.49 14.55 -22.95 -27.32 15.06 0.83 2 0 "[ . 1]"
123 . 1 57 ASN N 1 57 ASN CA 1 57 ASN C 1 58 ILE N 125.94 165.94 139.22 125.85 159.23 0.09 2 0 "[ . 1]"
124 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 GLU N 129.96 169.96 155.14 144.92 162.47 . . 0 "[ . 1]"
125 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 PHE N 119.45 159.45 150.21 142.50 161.51 2.06 4 0 "[ . 1]"
126 . 1 62 PHE N 1 62 PHE CA 1 62 PHE C 1 63 GLU N 124.77 164.77 152.04 124.94 167.23 2.46 5 0 "[ . 1]"
127 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 LEU N 118.67 158.67 138.21 131.63 119.51 0.28 1 0 "[ . 1]"
128 . 1 64 LEU N 1 64 LEU CA 1 64 LEU C 1 65 GLY N 102.51 142.51 105.87 99.11 114.14 3.40 10 0 "[ . 1]"
129 . 1 68 PHE N 1 68 PHE CA 1 68 PHE C 1 69 ASN N 126.81 172.85 157.18 151.68 163.16 . . 0 "[ . 1]"
130 . 1 69 ASN N 1 69 ASN CA 1 69 ASN C 1 70 TYR N 118.92 158.92 130.12 118.32 146.31 0.60 6 0 "[ . 1]"
131 . 1 79 ARG N 1 79 ARG CA 1 79 ARG C 1 80 GLY N 106.78 146.78 121.58 117.72 126.74 . . 0 "[ . 1]"
132 . 1 81 THR N 1 81 THR CA 1 81 THR C 1 82 TRP N 134.56 174.56 165.51 136.08 176.11 1.55 3 0 "[ . 1]"
133 . 1 82 TRP N 1 82 TRP CA 1 82 TRP C 1 83 SER N 127.97 167.97 129.84 126.82 142.23 1.15 4 0 "[ . 1]"
134 . 1 83 SER N 1 83 SER CA 1 83 SER C 1 84 LEU N 109.16 149.16 146.35 149.32 149.25 0.91 3 0 "[ . 1]"
135 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 GLU N 107.93 147.93 130.09 129.84 129.31 . . 0 "[ . 1]"
136 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 GLY N 94.57 139.81 96.11 97.45 94.52 0.60 6 0 "[ . 1]"
137 . 1 86 GLY N 1 86 GLY CA 1 86 GLY C 1 87 ASN N -141.68 -101.68 -105.80 -109.60 -101.50 0.18 10 0 "[ . 1]"
138 . 1 87 ASN N 1 87 ASN CA 1 87 ASN C 1 88 LYS N -19.46 20.54 20.99 20.51 21.48 0.94 5 0 "[ . 1]"
139 . 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 LEU N 118.28 158.28 146.51 144.53 142.68 0.20 8 0 "[ . 1]"
140 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 ILE N 104.74 144.74 135.77 140.38 139.48 1.46 3 0 "[ . 1]"
141 . 1 90 ILE N 1 90 ILE CA 1 90 ILE C 1 91 GLY N 96.28 136.28 119.99 96.00 95.73 1.87 4 0 "[ . 1]"
142 . 1 92 LYS N 1 92 LYS CA 1 92 LYS C 1 93 PHE N 117.74 157.74 150.37 117.31 159.31 1.57 7 0 "[ . 1]"
143 . 1 93 PHE N 1 93 PHE CA 1 93 PHE C 1 94 LYS N 130.33 170.33 172.10 170.60 173.59 3.26 7 0 "[ . 1]"
144 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 ARG N 120.34 160.34 129.92 130.06 127.31 . . 0 "[ . 1]"
145 . 1 95 ARG N 1 95 ARG CA 1 95 ARG C 1 96 THR N 121.70 161.70 144.53 128.40 153.00 . . 0 "[ . 1]"
146 . 1 96 THR N 1 96 THR CA 1 96 THR C 1 97 ASP N -57.71 -8.47 -21.76 -24.63 -17.05 . . 0 "[ . 1]"
147 . 1 101 GLU N 1 101 GLU CA 1 101 GLU C 1 102 LEU N 112.78 152.78 136.05 127.14 149.36 . . 0 "[ . 1]"
148 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 ASN N 111.95 151.95 115.37 110.61 127.47 1.34 7 0 "[ . 1]"
149 . 1 103 ASN N 1 103 ASN CA 1 103 ASN C 1 104 THR N 112.25 152.25 149.74 149.67 149.15 1.00 7 0 "[ . 1]"
150 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 VAL N 118.25 158.25 119.54 116.72 128.39 1.53 7 0 "[ . 1]"
151 . 1 105 VAL N 1 105 VAL CA 1 105 VAL C 1 106 ARG N 114.86 154.86 121.95 118.49 114.82 0.37 6 0 "[ . 1]"
152 . 1 106 ARG N 1 106 ARG CA 1 106 ARG C 1 107 GLU N 116.64 156.64 117.28 116.39 116.36 1.16 8 0 "[ . 1]"
153 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 ILE N 118.41 158.41 146.77 156.45 155.42 0.15 6 0 "[ . 1]"
154 . 1 111 ASP N 1 111 ASP CA 1 111 ASP C 1 112 GLU N -24.49 15.51 6.33 -9.64 16.81 1.30 6 0 "[ . 1]"
155 . 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 LEU N 125.16 176.64 175.77 176.18 175.63 1.92 8 0 "[ . 1]"
156 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 VAL N 130.85 170.85 130.96 141.13 130.50 1.93 3 0 "[ . 1]"
157 . 1 114 VAL N 1 114 VAL CA 1 114 VAL C 1 115 GLN N 108.60 148.60 109.15 106.76 122.84 1.84 3 0 "[ . 1]"
158 . 1 115 GLN N 1 115 GLN CA 1 115 GLN C 1 116 THR N 100.12 140.12 134.67 139.99 139.94 0.73 6 0 "[ . 1]"
159 . 1 116 THR N 1 116 THR CA 1 116 THR C 1 117 TYR N 103.28 143.28 112.96 109.64 117.65 . . 0 "[ . 1]"
160 . 1 117 TYR N 1 117 TYR CA 1 117 TYR C 1 118 VAL N 121.49 161.49 156.09 156.34 150.82 . . 0 "[ . 1]"
161 . 1 118 VAL N 1 118 VAL CA 1 118 VAL C 1 119 TYR N 130.04 170.04 138.31 129.76 143.21 0.28 10 0 "[ . 1]"
162 . 1 120 GLU N 1 120 GLU CA 1 120 GLU C 1 121 GLY N 92.55 132.55 89.13 88.55 88.19 4.36 1 0 "[ . 1]"
163 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 LYS N 136.32 176.32 137.86 137.30 136.32 0.69 6 0 "[ . 1]"
164 . 1 125 LYS N 1 125 LYS CA 1 125 LYS C 1 126 ARG N 124.24 164.24 157.46 165.59 164.83 1.35 2 0 "[ . 1]"
165 . 1 126 ARG N 1 126 ARG CA 1 126 ARG C 1 127 ILE N 115.79 155.79 117.98 115.10 114.74 1.36 1 0 "[ . 1]"
166 . 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 LYS N 121.39 161.39 159.23 155.11 162.41 1.02 4 0 "[ . 1]"
167 . 1 130 LYS N 1 130 LYS CA 1 130 LYS C 1 131 ASP N 111.06 151.06 151.27 151.63 151.55 1.06 3 0 "[ . 1]"
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