NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
553997 |
2ls0   |
18404 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ls0
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 187
_TA_constraint_stats_list.Viol_count 474
_TA_constraint_stats_list.Viol_total 6699.74
_TA_constraint_stats_list.Viol_max 4.81
_TA_constraint_stats_list.Viol_rms 0.84
_TA_constraint_stats_list.Viol_average_all_restraints 0.36
_TA_constraint_stats_list.Viol_average_violations_only 1.41
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 5 HIS C 1 6 HIS N 1 6 HIS CA 1 6 HIS C -174.00 -58.00 -126.18 -140.04 -160.56 . . 0 "[ . 1]"
2 . 1 6 HIS C 1 7 HIS N 1 7 HIS CA 1 7 HIS C -174.00 -62.00 -124.11 -140.24 -99.73 . . 0 "[ . 1]"
3 . 1 7 HIS C 1 8 HIS N 1 8 HIS CA 1 8 HIS C -156.00 -90.00 -113.77 -90.69 -149.75 0.21 8 0 "[ . 1]"
4 . 1 11 GLY C 1 12 SER N 1 12 SER CA 1 12 SER C -115.00 -81.00 -104.75 -113.70 -93.51 . . 0 "[ . 1]"
5 . 1 15 THR C 1 16 THR N 1 16 THR CA 1 16 THR C -116.00 -52.00 -95.56 -116.12 -59.92 0.12 2 0 "[ . 1]"
6 . 1 19 THR C 1 20 ASN N 1 20 ASN CA 1 20 ASN C 171.00 -25.00 -115.29 179.47 -67.22 . . 0 "[ . 1]"
7 . 1 21 LEU C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -141.00 -41.00 -53.02 -60.75 -41.96 . . 0 "[ . 1]"
8 . 1 22 LYS C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -133.00 -73.00 -72.56 -72.17 -72.43 0.83 2 0 "[ . 1]"
9 . 1 23 ILE C 1 24 TYR N 1 24 TYR CA 1 24 TYR C -159.00 -89.00 -108.51 -111.65 -105.85 . . 0 "[ . 1]"
10 . 1 24 TYR C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -116.00 -70.00 -116.94 -116.64 -116.85 1.41 9 0 "[ . 1]"
11 . 1 25 LYS C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -120.00 -62.00 -79.57 -80.19 -80.55 . . 0 "[ . 1]"
12 . 1 26 VAL C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -121.00 -45.00 -81.25 -80.45 -80.92 . . 0 "[ . 1]"
13 . 1 27 ASP C 1 28 ASP N 1 28 ASP CA 1 28 ASP C 173.00 -123.00 -175.22 -176.54 -174.18 . . 0 "[ . 1]"
14 . 1 28 ASP C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -166.00 -100.00 -131.74 -133.62 -130.17 . . 0 "[ . 1]"
15 . 1 29 LEU C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -145.00 -97.00 -130.36 -133.32 -128.90 . . 0 "[ . 1]"
16 . 1 30 GLN C 1 31 LYS N 1 31 LYS CA 1 31 LYS C -134.00 -70.00 -71.34 -71.45 -71.93 . . 0 "[ . 1]"
17 . 1 31 LYS C 1 32 ILE N 1 32 ILE CA 1 32 ILE C -124.00 -76.00 -123.98 -124.90 -120.69 0.90 4 0 "[ . 1]"
18 . 1 32 ILE C 1 33 ASN N 1 33 ASN CA 1 33 ASN C 45.00 61.00 58.95 49.55 61.66 0.66 1 0 "[ . 1]"
19 . 1 33 ASN C 1 34 GLY N 1 34 GLY CA 1 34 GLY C 21.00 145.00 75.43 75.71 75.20 . . 0 "[ . 1]"
20 . 1 34 GLY C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -154.00 -84.00 -136.73 -140.23 -134.24 . . 0 "[ . 1]"
21 . 1 35 ILE C 1 36 TRP N 1 36 TRP CA 1 36 TRP C -117.00 -57.00 -60.01 -60.22 -60.24 . . 0 "[ . 1]"
22 . 1 36 TRP C 1 37 GLN N 1 37 GLN CA 1 37 GLN C -175.00 -117.00 -116.79 -116.97 -116.62 0.38 1 0 "[ . 1]"
23 . 1 37 GLN C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -149.00 -95.00 -113.80 -113.33 -114.07 . . 0 "[ . 1]"
24 . 1 38 VAL C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -141.00 -85.00 -144.43 -144.19 -144.30 3.65 9 0 "[ . 1]"
25 . 1 39 ARG C 1 40 ASN N 1 40 ASN CA 1 40 ASN C -166.00 -84.00 -130.74 -132.77 -124.76 . . 0 "[ . 1]"
26 . 1 41 ASN C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -94.00 -46.00 -83.71 -85.66 -81.97 . . 0 "[ . 1]"
27 . 1 42 ILE C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -117.00 -33.00 -100.72 -99.86 -100.02 . . 0 "[ . 1]"
28 . 1 43 LEU C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -153.00 -81.00 -148.43 -148.12 -148.42 . . 0 "[ . 1]"
29 . 1 44 VAL C 1 45 PRO N 1 45 PRO CA 1 45 PRO C -80.00 -44.00 -49.47 -50.86 -48.29 . . 0 "[ . 1]"
30 . 1 46 THR C 1 47 ASP N 1 47 ASP CA 1 47 ASP C 48.00 70.00 72.38 72.41 72.33 2.72 4 0 "[ . 1]"
31 . 1 47 ASP C 1 48 PHE N 1 48 PHE CA 1 48 PHE C -122.00 -42.00 -82.97 -83.16 -83.87 . . 0 "[ . 1]"
32 . 1 48 PHE C 1 49 THR N 1 49 THR CA 1 49 THR C -166.00 -48.00 -47.08 -47.52 -46.75 1.25 1 0 "[ . 1]"
33 . 1 49 THR C 1 50 TRP N 1 50 TRP CA 1 50 TRP C -69.00 -41.00 -45.39 -47.58 -44.31 . . 0 "[ . 1]"
34 . 1 54 GLY C 1 55 ILE N 1 55 ILE CA 1 55 ILE C -145.00 -85.00 -83.21 -83.25 -83.39 1.97 8 0 "[ . 1]"
35 . 1 55 ILE C 1 56 ALA N 1 56 ALA CA 1 56 ALA C -104.00 -52.00 -70.03 -70.62 -68.97 . . 0 "[ . 1]"
36 . 1 56 ALA C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -97.00 -17.00 -34.99 -36.27 -33.35 . . 0 "[ . 1]"
37 . 1 57 ALA C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -97.00 -55.00 -54.48 -55.31 -53.99 1.01 4 0 "[ . 1]"
38 . 1 59 ASP C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -153.00 -89.00 -99.49 -99.75 -100.04 . . 0 "[ . 1]"
39 . 1 60 VAL C 1 61 ILE N 1 61 ILE CA 1 61 ILE C 177.00 -99.00 -143.40 -140.27 -141.53 . . 0 "[ . 1]"
40 . 1 61 ILE C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -115.00 -61.00 -64.59 -65.92 -62.80 . . 0 "[ . 1]"
41 . 1 62 GLU C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -161.00 -99.00 -110.13 -116.48 -104.95 . . 0 "[ . 1]"
42 . 1 63 VAL C 1 64 THR N 1 64 THR CA 1 64 THR C -146.00 -40.00 -84.53 -83.76 -83.97 . . 0 "[ . 1]"
43 . 1 64 THR C 1 65 SER N 1 65 SER CA 1 65 SER C -73.00 -39.00 -37.68 -37.56 -37.81 1.71 6 0 "[ . 1]"
44 . 1 65 SER C 1 66 ASN N 1 66 ASN CA 1 66 ASN C -139.00 -61.00 -79.52 -83.46 -76.74 . . 0 "[ . 1]"
45 . 1 66 ASN C 1 67 GLY N 1 67 GLY CA 1 67 GLY C 76.00 98.00 93.23 94.15 93.14 . . 0 "[ . 1]"
46 . 1 67 GLY C 1 68 THR N 1 68 THR CA 1 68 THR C -134.00 -56.00 -74.21 -75.49 -72.10 . . 0 "[ . 1]"
47 . 1 68 THR C 1 69 ARG N 1 69 ARG CA 1 69 ARG C -144.00 -44.00 -72.21 -71.46 -72.85 . . 0 "[ . 1]"
48 . 1 70 THR C 1 71 SER N 1 71 SER CA 1 71 SER C -95.00 -41.00 -83.92 -85.02 -86.02 . . 0 "[ . 1]"
49 . 1 71 SER C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -101.00 -49.00 -67.46 -62.64 -96.24 . . 0 "[ . 1]"
50 . 1 73 GLN C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -180.00 -110.00 -112.81 -108.50 -108.93 1.51 2 0 "[ . 1]"
51 . 1 74 VAL C 1 75 LEU N 1 75 LEU CA 1 75 LEU C 170.00 10.00 -62.96 -53.94 -56.98 . . 0 "[ . 1]"
52 . 1 75 LEU C 1 76 GLN N 1 76 GLN CA 1 76 GLN C -179.00 -77.00 -155.20 -157.48 -151.95 . . 0 "[ . 1]"
53 . 1 76 GLN C 1 77 LYS N 1 77 LYS CA 1 77 LYS C -92.00 -40.00 -76.27 -80.02 -72.82 . . 0 "[ . 1]"
54 . 1 77 LYS C 1 78 GLY N 1 78 GLY CA 1 78 GLY C 58.00 118.00 117.53 116.87 114.42 0.61 8 0 "[ . 1]"
55 . 1 79 GLY C 1 80 TYR N 1 80 TYR CA 1 80 TYR C -150.00 -96.00 -151.89 -152.06 -151.68 2.06 2 0 "[ . 1]"
56 . 1 80 TYR C 1 81 PHE N 1 81 PHE CA 1 81 PHE C -171.00 -83.00 -154.23 -154.72 -154.98 . . 0 "[ . 1]"
57 . 1 81 PHE C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -151.00 -77.00 -136.86 -136.28 -136.68 . . 0 "[ . 1]"
58 . 1 82 VAL C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -142.00 -32.00 -73.88 -74.46 -74.62 . . 0 "[ . 1]"
59 . 1 83 ILE C 1 84 ASN N 1 84 ASN CA 1 84 ASN C -151.00 -27.00 -54.71 -56.79 -52.39 . . 0 "[ . 1]"
60 . 1 84 ASN C 1 85 PRO N 1 85 PRO CA 1 85 PRO C -82.00 -38.00 -69.20 -72.30 -64.20 . . 0 "[ . 1]"
61 . 1 85 PRO C 1 86 ASN N 1 86 ASN CA 1 86 ASN C -111.00 -55.00 -74.08 -74.89 -72.79 . . 0 "[ . 1]"
62 . 1 87 ASN C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -143.00 -41.00 -98.41 -102.60 -96.51 . . 0 "[ . 1]"
63 . 1 88 VAL C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -112.00 -46.00 -86.61 -82.91 -84.61 . . 0 "[ . 1]"
64 . 1 89 LYS C 1 90 SER N 1 90 SER CA 1 90 SER C 177.00 -141.00 174.74 172.28 177.21 4.72 7 0 "[ . 1]"
65 . 1 90 SER C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -158.00 -90.00 -102.76 -92.15 -99.69 0.06 7 0 "[ . 1]"
66 . 1 92 GLY C 1 93 THR N 1 93 THR CA 1 93 THR C -177.00 -17.00 -61.73 -60.60 -61.27 . . 0 "[ . 1]"
67 . 1 93 THR C 1 94 PRO N 1 94 PRO CA 1 94 PRO C -80.00 -46.00 -81.29 -81.03 -81.18 1.67 5 0 "[ . 1]"
68 . 1 94 PRO C 1 95 MET N 1 95 MET CA 1 95 MET C -147.00 -93.00 -149.46 -149.75 -148.80 2.75 6 0 "[ . 1]"
69 . 1 95 MET C 1 96 LYS N 1 96 LYS CA 1 96 LYS C -117.00 -51.00 -85.43 -85.84 -86.30 . . 0 "[ . 1]"
70 . 1 97 GLY C 1 98 SER N 1 98 SER CA 1 98 SER C -106.00 -22.00 -64.55 -64.78 -64.91 . . 0 "[ . 1]"
71 . 1 98 SER C 1 99 GLY N 1 99 GLY CA 1 99 GLY C 51.00 117.00 107.62 105.08 108.27 . . 0 "[ . 1]"
72 . 1 101 LEU C 1 102 SER N 1 102 SER CA 1 102 SER C -113.00 -73.00 -116.72 -116.90 -116.54 3.90 2 0 "[ . 1]"
73 . 1 102 SER C 1 103 TRP N 1 103 TRP CA 1 103 TRP C -153.00 -81.00 -120.58 -119.57 -120.11 . . 0 "[ . 1]"
74 . 1 103 TRP C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -174.00 -94.00 -104.23 -106.84 -103.25 . . 0 "[ . 1]"
75 . 1 104 ALA C 1 105 GLN N 1 105 GLN CA 1 105 GLN C -108.00 -54.00 -81.21 -83.52 -78.91 . . 0 "[ . 1]"
76 . 1 105 GLN C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -158.00 -72.00 -100.19 -102.88 -97.70 . . 0 "[ . 1]"
77 . 1 106 VAL C 1 107 ASN N 1 107 ASN CA 1 107 ASN C -130.00 -86.00 -88.80 -87.65 -88.48 . . 0 "[ . 1]"
78 . 1 107 ASN C 1 108 PHE N 1 108 PHE CA 1 108 PHE C -137.00 -63.00 -100.46 -103.21 -98.35 . . 0 "[ . 1]"
79 . 1 108 PHE C 1 109 THR N 1 109 THR CA 1 109 THR C -70.00 -46.00 -53.91 -58.64 -50.84 . . 0 "[ . 1]"
80 . 1 109 THR C 1 110 THR N 1 110 THR CA 1 110 THR C -85.00 -47.00 -86.28 -86.29 -86.31 1.55 7 0 "[ . 1]"
81 . 1 110 THR C 1 111 GLY N 1 111 GLY CA 1 111 GLY C -103.00 -71.00 -72.66 -72.07 -72.32 0.24 4 0 "[ . 1]"
82 . 1 112 GLY C 1 113 ASN N 1 113 ASN CA 1 113 ASN C -131.00 -59.00 -87.30 -93.15 -83.61 . . 0 "[ . 1]"
83 . 1 113 ASN C 1 114 VAL N 1 114 VAL CA 1 114 VAL C -143.00 -87.00 -145.33 -145.18 -145.33 2.63 1 0 "[ . 1]"
84 . 1 114 VAL C 1 115 TRP N 1 115 TRP CA 1 115 TRP C -141.00 -61.00 -92.31 -92.08 -92.46 . . 0 "[ . 1]"
85 . 1 115 TRP C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -153.00 -117.00 -153.59 -153.93 -153.23 0.93 3 0 "[ . 1]"
86 . 1 116 LEU C 1 117 ASN N 1 117 ASN CA 1 117 ASN C -147.00 -67.00 -65.12 -65.33 -64.87 2.13 8 0 "[ . 1]"
87 . 1 120 SER C 1 121 LYS N 1 121 LYS CA 1 121 LYS C -74.00 -42.00 -72.71 -72.29 -73.80 0.51 8 0 "[ . 1]"
88 . 1 121 LYS C 1 122 ASP N 1 122 ASP CA 1 122 ASP C -80.00 -50.00 -65.93 -66.91 -65.01 . . 0 "[ . 1]"
89 . 1 122 ASP C 1 123 ASN N 1 123 ASN CA 1 123 ASN C -76.00 -56.00 -62.73 -63.24 -62.05 . . 0 "[ . 1]"
90 . 1 123 ASN C 1 124 LEU N 1 124 LEU CA 1 124 LEU C -67.00 -51.00 -64.36 -64.50 -64.81 . . 0 "[ . 1]"
91 . 1 124 LEU C 1 125 LEU N 1 125 LEU CA 1 125 LEU C -98.00 -44.00 -59.50 -60.33 -58.36 . . 0 "[ . 1]"
92 . 1 125 LEU C 1 126 TYR N 1 126 TYR CA 1 126 TYR C 152.00 -8.00 -114.32 -109.32 -112.58 . . 0 "[ . 1]"
93 . 1 6 HIS N 1 6 HIS CA 1 6 HIS C 1 7 HIS N 84.00 154.00 110.95 120.25 114.87 . . 0 "[ . 1]"
94 . 1 7 HIS N 1 7 HIS CA 1 7 HIS C 1 8 HIS N 96.00 142.00 122.64 101.45 142.37 0.37 1 0 "[ . 1]"
95 . 1 8 HIS N 1 8 HIS CA 1 8 HIS C 1 9 HIS N 73.00 -179.00 111.95 170.02 150.46 0.17 9 0 "[ . 1]"
96 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 GLU N -35.00 25.00 -10.85 -35.49 18.69 0.49 3 0 "[ . 1]"
97 . 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 PRO N 103.00 151.00 124.82 121.29 106.91 . . 0 "[ . 1]"
98 . 1 20 ASN N 1 20 ASN CA 1 20 ASN C 1 21 LEU N 128.00 140.00 131.20 127.73 127.54 1.50 3 0 "[ . 1]"
99 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 ILE N 77.00 169.00 168.01 164.98 169.47 0.47 6 0 "[ . 1]"
100 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 TYR N 93.00 157.00 154.44 155.80 154.85 . . 0 "[ . 1]"
101 . 1 24 TYR N 1 24 TYR CA 1 24 TYR C 1 25 LYS N 111.00 175.00 170.13 169.71 169.54 . . 0 "[ . 1]"
102 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 VAL N 100.00 164.00 109.54 108.52 111.36 . . 0 "[ . 1]"
103 . 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 ASP N 74.00 174.00 81.30 80.34 82.63 . . 0 "[ . 1]"
104 . 1 27 ASP N 1 27 ASP CA 1 27 ASP C 1 28 ASP N -62.00 -26.00 -26.56 -27.38 -25.87 0.13 4 0 "[ . 1]"
105 . 1 28 ASP N 1 28 ASP CA 1 28 ASP C 1 29 LEU N 104.00 -174.00 117.41 114.98 114.63 . . 0 "[ . 1]"
106 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 GLN N 117.00 147.00 136.97 137.87 137.40 . . 0 "[ . 1]"
107 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 LYS N 103.00 159.00 160.91 161.26 160.95 2.63 2 0 "[ . 1]"
108 . 1 31 LYS N 1 31 LYS CA 1 31 LYS C 1 32 ILE N 105.00 133.00 102.94 102.42 103.60 2.58 6 0 "[ . 1]"
109 . 1 32 ILE N 1 32 ILE CA 1 32 ILE C 1 33 ASN N 70.00 164.00 121.73 120.72 119.55 . . 0 "[ . 1]"
110 . 1 33 ASN N 1 33 ASN CA 1 33 ASN C 1 34 GLY N 35.00 51.00 37.54 35.16 47.47 . . 0 "[ . 1]"
111 . 1 34 GLY N 1 34 GLY CA 1 34 GLY C 1 35 ILE N -17.00 27.00 3.59 4.27 3.68 . . 0 "[ . 1]"
112 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 TRP N 119.00 175.00 138.49 135.94 145.08 . . 0 "[ . 1]"
113 . 1 36 TRP N 1 36 TRP CA 1 36 TRP C 1 37 GLN N 116.00 150.00 130.31 128.41 131.56 . . 0 "[ . 1]"
114 . 1 37 GLN N 1 37 GLN CA 1 37 GLN C 1 38 VAL N 143.00 173.00 145.92 143.87 146.73 . . 0 "[ . 1]"
115 . 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 ARG N 115.00 151.00 150.95 151.24 151.13 0.39 6 0 "[ . 1]"
116 . 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 ASN N 112.00 144.00 141.73 143.98 142.94 0.25 6 0 "[ . 1]"
117 . 1 40 ASN N 1 40 ASN CA 1 40 ASN C 1 41 ASN N 102.00 152.00 152.23 151.54 150.32 1.32 7 0 "[ . 1]"
118 . 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 LEU N -48.00 -22.00 -50.55 -50.91 -50.24 2.91 3 0 "[ . 1]"
119 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 VAL N -51.00 9.00 -11.42 -12.23 -10.08 . . 0 "[ . 1]"
120 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 PRO N 26.00 146.00 71.08 70.22 71.82 . . 0 "[ . 1]"
121 . 1 45 PRO N 1 45 PRO CA 1 45 PRO C 1 46 THR N -42.00 -2.00 -32.02 -32.22 -32.30 . . 0 "[ . 1]"
122 . 1 47 ASP N 1 47 ASP CA 1 47 ASP C 1 48 PHE N 20.00 56.00 56.44 55.46 56.96 0.96 1 0 "[ . 1]"
123 . 1 48 PHE N 1 48 PHE CA 1 48 PHE C 1 49 THR N 106.00 160.00 112.54 111.77 111.45 . . 0 "[ . 1]"
124 . 1 49 THR N 1 49 THR CA 1 49 THR C 1 50 TRP N 93.00 -153.00 91.94 92.20 91.98 1.30 5 0 "[ . 1]"
125 . 1 50 TRP N 1 50 TRP CA 1 50 TRP C 1 51 VAL N -66.00 -18.00 -28.32 -29.43 -27.38 . . 0 "[ . 1]"
126 . 1 52 ASP N 1 52 ASP CA 1 52 ASP C 1 53 ASN N -48.00 18.00 -12.72 -11.91 -12.61 . . 0 "[ . 1]"
127 . 1 55 ILE N 1 55 ILE CA 1 55 ILE C 1 56 ALA N 103.00 149.00 118.93 119.53 119.27 . . 0 "[ . 1]"
128 . 1 56 ALA N 1 56 ALA CA 1 56 ALA C 1 57 ALA N 88.00 162.00 87.68 88.14 87.87 0.51 7 0 "[ . 1]"
129 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 ASP N -47.00 -9.00 -35.03 -34.77 -35.16 . . 0 "[ . 1]"
130 . 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 ASP N -69.00 23.00 -35.19 -37.04 -32.87 . . 0 "[ . 1]"
131 . 1 59 ASP N 1 59 ASP CA 1 59 ASP C 1 60 VAL N -33.00 35.00 -28.01 -29.07 -29.08 . . 0 "[ . 1]"
132 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 ILE N 115.00 -165.00 -173.63 -176.41 -171.30 . . 0 "[ . 1]"
133 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 GLU N 103.00 171.00 110.17 105.33 113.63 . . 0 "[ . 1]"
134 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 VAL N 88.00 162.00 124.97 122.93 121.33 . . 0 "[ . 1]"
135 . 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 THR N 137.00 -173.00 160.02 157.89 155.79 . . 0 "[ . 1]"
136 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 SER N 156.00 -176.00 161.32 162.79 161.55 . . 0 "[ . 1]"
137 . 1 65 SER N 1 65 SER CA 1 65 SER C 1 66 ASN N -55.00 -13.00 -34.37 -35.48 -35.66 . . 0 "[ . 1]"
138 . 1 66 ASN N 1 66 ASN CA 1 66 ASN C 1 67 GLY N -31.00 25.00 -7.47 -9.87 -4.99 . . 0 "[ . 1]"
139 . 1 67 GLY N 1 67 GLY CA 1 67 GLY C 1 68 THR N -20.00 22.00 23.19 22.84 23.56 1.56 8 0 "[ . 1]"
140 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 ARG N 105.00 155.00 117.07 117.88 117.27 . . 0 "[ . 1]"
141 . 1 69 ARG N 1 69 ARG CA 1 69 ARG C 1 70 THR N 95.00 167.00 138.71 142.18 141.00 . . 0 "[ . 1]"
142 . 1 71 SER N 1 71 SER CA 1 71 SER C 1 72 ASP N -49.00 -3.00 -29.86 -29.19 -47.68 0.17 1 0 "[ . 1]"
143 . 1 72 ASP N 1 72 ASP CA 1 72 ASP C 1 73 GLN N -47.00 13.00 -27.27 -47.32 -6.04 0.32 2 0 "[ . 1]"
144 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 LEU N 98.00 166.00 122.72 115.39 109.35 . . 0 "[ . 1]"
145 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 GLN N 51.00 -157.00 148.14 148.40 147.64 . . 0 "[ . 1]"
146 . 1 76 GLN N 1 76 GLN CA 1 76 GLN C 1 77 LYS N 134.00 168.00 133.03 132.93 132.81 1.46 3 0 "[ . 1]"
147 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 GLY N 112.00 150.00 151.77 152.25 151.85 2.27 2 0 "[ . 1]"
148 . 1 78 GLY N 1 78 GLY CA 1 78 GLY C 1 79 GLY N -39.00 25.00 18.41 19.99 18.86 . . 0 "[ . 1]"
149 . 1 80 TYR N 1 80 TYR CA 1 80 TYR C 1 81 PHE N 122.00 160.00 160.43 160.83 160.64 0.83 2 0 "[ . 1]"
150 . 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 VAL N 136.00 172.00 173.16 172.67 173.57 1.57 5 0 "[ . 1]"
151 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 ILE N 128.00 162.00 125.12 124.54 125.70 3.46 4 0 "[ . 1]"
152 . 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 ASN N 93.00 -173.00 113.23 113.58 112.74 . . 0 "[ . 1]"
153 . 1 84 ASN N 1 84 ASN CA 1 84 ASN C 1 85 PRO N 115.00 179.00 114.66 113.58 115.85 1.42 7 0 "[ . 1]"
154 . 1 85 PRO N 1 85 PRO CA 1 85 PRO C 1 86 ASN N -46.00 -6.00 -27.36 -27.69 -28.12 . . 0 "[ . 1]"
155 . 1 86 ASN N 1 86 ASN CA 1 86 ASN C 1 87 ASN N -50.00 28.00 -27.87 -27.52 -27.92 . . 0 "[ . 1]"
156 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 LYS N 107.00 155.00 131.62 133.17 132.77 . . 0 "[ . 1]"
157 . 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 SER N -48.00 -20.00 -44.10 -48.69 -37.73 0.69 2 0 "[ . 1]"
158 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 VAL N 148.00 172.00 172.97 172.67 173.47 1.47 8 0 "[ . 1]"
159 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 GLY N 97.00 173.00 135.94 162.56 145.93 . . 0 "[ . 1]"
160 . 1 92 GLY N 1 92 GLY CA 1 92 GLY C 1 93 THR N 89.00 177.00 179.66 179.66 179.64 2.86 3 0 "[ . 1]"
161 . 1 93 THR N 1 93 THR CA 1 93 THR C 1 94 PRO N 106.00 164.00 137.71 133.71 142.38 . . 0 "[ . 1]"
162 . 1 94 PRO N 1 94 PRO CA 1 94 PRO C 1 95 MET N 123.00 175.00 157.86 158.55 158.31 . . 0 "[ . 1]"
163 . 1 95 MET N 1 95 MET CA 1 95 MET C 1 96 LYS N 114.00 142.00 135.78 130.89 138.01 . . 0 "[ . 1]"
164 . 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 GLY N 112.00 144.00 125.07 124.12 123.90 . . 0 "[ . 1]"
165 . 1 98 SER N 1 98 SER CA 1 98 SER C 1 99 GLY N 70.00 -170.00 69.69 69.54 69.42 0.75 7 0 "[ . 1]"
166 . 1 99 GLY N 1 99 GLY CA 1 99 GLY C 1 100 GLY N -49.00 51.00 -49.47 -49.47 -49.52 0.58 1 0 "[ . 1]"
167 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 TRP N 87.00 169.00 118.42 118.60 118.29 . . 0 "[ . 1]"
168 . 1 103 TRP N 1 103 TRP CA 1 103 TRP C 1 104 ALA N 105.00 -179.00 117.74 117.39 117.22 . . 0 "[ . 1]"
169 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 GLN N 104.00 164.00 148.06 149.68 148.52 . . 0 "[ . 1]"
170 . 1 105 GLN N 1 105 GLN CA 1 105 GLN C 1 106 VAL N 103.00 145.00 102.69 102.76 102.62 0.82 7 0 "[ . 1]"
171 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 ASN N 91.00 157.00 136.92 133.75 138.69 . . 0 "[ . 1]"
172 . 1 107 ASN N 1 107 ASN CA 1 107 ASN C 1 108 PHE N 102.00 140.00 101.91 102.56 102.12 0.62 6 0 "[ . 1]"
173 . 1 108 PHE N 1 108 PHE CA 1 108 PHE C 1 109 THR N 107.00 -159.00 165.08 168.58 168.36 . . 0 "[ . 1]"
174 . 1 109 THR N 1 109 THR CA 1 109 THR C 1 110 THR N -62.00 -4.00 -64.74 -66.12 -62.25 4.12 6 0 "[ . 1]"
175 . 1 110 THR N 1 110 THR CA 1 110 THR C 1 111 GLY N -55.00 -13.00 -52.75 -55.93 -56.01 1.60 4 0 "[ . 1]"
176 . 1 111 GLY N 1 111 GLY CA 1 111 GLY C 1 112 GLY N -28.00 24.00 -5.49 -7.49 -0.34 . . 0 "[ . 1]"
177 . 1 113 ASN N 1 113 ASN CA 1 113 ASN C 1 114 VAL N 106.00 144.00 130.36 132.09 131.06 . . 0 "[ . 1]"
178 . 1 114 VAL N 1 114 VAL CA 1 114 VAL C 1 115 TRP N 113.00 157.00 116.75 113.48 120.07 . . 0 "[ . 1]"
179 . 1 115 TRP N 1 115 TRP CA 1 115 TRP C 1 116 LEU N 110.00 156.00 155.00 152.42 156.18 0.18 8 0 "[ . 1]"
180 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 ASN N 127.00 173.00 144.18 145.38 144.92 . . 0 "[ . 1]"
181 . 1 117 ASN N 1 117 ASN CA 1 117 ASN C 1 118 THR N 77.00 147.00 100.60 99.26 101.92 . . 0 "[ . 1]"
182 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 ASP N -67.00 -19.00 -40.33 -38.33 -39.47 . . 0 "[ . 1]"
183 . 1 122 ASP N 1 122 ASP CA 1 122 ASP C 1 123 ASN N -68.00 -8.00 -4.71 -5.14 -4.41 3.59 8 0 "[ . 1]"
184 . 1 123 ASN N 1 123 ASN CA 1 123 ASN C 1 124 LEU N -54.00 -30.00 -58.61 -58.60 -58.67 4.81 8 0 "[ . 1]"
185 . 1 124 LEU N 1 124 LEU CA 1 124 LEU C 1 125 LEU N -57.00 -31.00 -56.39 -57.40 -55.08 0.40 2 0 "[ . 1]"
186 . 1 125 LEU N 1 125 LEU CA 1 125 LEU C 1 126 TYR N -50.00 0.00 -45.10 -46.23 -43.62 . . 0 "[ . 1]"
187 . 1 126 TYR N 1 126 TYR CA 1 126 TYR C 1 127 GLY N -58.00 20.00 -31.54 -31.04 -31.43 . . 0 "[ . 1]"
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