NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
636789 |
6gcj   |
19782 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6gcj
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 159
_TA_constraint_stats_list.Viol_count 462
_TA_constraint_stats_list.Viol_total 5731.01
_TA_constraint_stats_list.Viol_max 7.84
_TA_constraint_stats_list.Viol_rms 0.92
_TA_constraint_stats_list.Viol_average_all_restraints 0.36
_TA_constraint_stats_list.Viol_average_violations_only 1.24
_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 VAL C 1 2 ARG N 1 2 ARG CA 1 2 ARG C -76.40 -60.00 -74.15 -78.62 -62.78 2.22 2 0 "[ . 1]"
2 . 1 2 ARG C 1 3 PHE N 1 3 PHE CA 1 3 PHE C -148.60 -94.60 -127.67 -138.03 -118.69 . . 0 "[ . 1]"
3 . 1 3 PHE C 1 4 PRO N 1 4 PRO CA 1 4 PRO C -67.90 -49.90 -68.78 -69.78 -67.43 1.88 4 0 "[ . 1]"
4 . 1 4 PRO C 1 5 VAL N 1 5 VAL CA 1 5 VAL C -138.40 -74.60 -85.62 -93.02 -81.64 . . 0 "[ . 1]"
5 . 1 5 VAL C 1 6 PRO N 1 6 PRO CA 1 6 PRO C -68.10 -52.30 -51.43 -51.93 -50.89 1.41 8 0 "[ . 1]"
6 . 1 6 PRO C 1 7 ASP N 1 7 ASP CA 1 7 ASP C -74.60 -55.00 -70.07 -73.06 -66.23 . . 0 "[ . 1]"
7 . 1 7 ASP C 1 8 ASP N 1 8 ASP CA 1 8 ASP C -105.90 -78.30 -89.40 -92.97 -81.81 . . 0 "[ . 1]"
8 . 1 8 ASP C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -101.80 -67.40 -91.56 -95.17 -96.96 . . 0 "[ . 1]"
9 . 1 9 ILE C 1 10 THR N 1 10 THR CA 1 10 THR C -92.90 -76.30 -81.28 -87.42 -76.49 . . 0 "[ . 1]"
10 . 1 10 THR C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -66.10 -54.30 -56.34 -56.15 -56.64 0.03 7 0 "[ . 1]"
11 . 1 11 VAL C 1 12 LYS N 1 12 LYS CA 1 12 LYS C -68.00 -59.40 -64.27 -65.46 -67.08 0.40 3 0 "[ . 1]"
12 . 1 12 LYS C 1 13 GLN N 1 13 GLN CA 1 13 GLN C -70.80 -59.40 -63.61 -67.98 -58.77 0.63 6 0 "[ . 1]"
13 . 1 13 GLN C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -68.50 -62.10 -61.68 -63.89 -60.66 1.44 7 0 "[ . 1]"
14 . 1 14 ALA C 1 15 THR N 1 15 THR CA 1 15 THR C -67.30 -59.30 -65.91 -68.97 -62.66 1.67 5 0 "[ . 1]"
15 . 1 15 THR C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -71.30 -59.70 -64.71 -63.97 -64.06 0.41 9 0 "[ . 1]"
16 . 1 16 GLU C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -77.30 -60.70 -67.06 -75.25 -59.97 0.73 3 0 "[ . 1]"
17 . 1 17 LYS C 1 18 CYS N 1 18 CYS CA 1 18 CYS C -100.00 -74.00 -86.50 -77.71 -87.52 1.51 9 0 "[ . 1]"
18 . 1 20 ASP C 1 21 GLN N 1 21 GLN CA 1 21 GLN C -115.30 -92.10 -99.59 -96.96 -97.92 1.56 5 0 "[ . 1]"
19 . 1 21 GLN C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -149.10 -109.90 -132.16 -124.99 -127.75 . . 0 "[ . 1]"
20 . 1 22 ALA C 1 23 GLN N 1 23 GLN CA 1 23 GLN C -134.30 -95.50 -116.36 -117.88 -123.21 0.73 1 0 "[ . 1]"
21 . 1 23 GLN C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -96.40 -66.80 -66.62 -70.93 -64.45 2.35 9 0 "[ . 1]"
22 . 1 24 LEU C 1 25 SER N 1 25 SER CA 1 25 SER C -144.40 -118.00 -133.56 -140.62 -122.62 . . 0 "[ . 1]"
23 . 1 25 SER C 1 26 CYS N 1 26 CYS CA 1 26 CYS C -119.80 -85.20 -104.16 -113.90 -93.90 . . 0 "[ . 1]"
24 . 1 26 CYS C 1 27 CYS N 1 27 CYS CA 1 27 CYS C -142.80 -117.60 -117.90 -115.49 -116.68 2.67 2 0 "[ . 1]"
25 . 1 28 ASN C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -153.50 -124.90 -124.60 -123.95 -124.69 1.66 8 0 "[ . 1]"
26 . 1 29 LYS C 1 30 ALA N 1 30 ALA CA 1 30 ALA C -145.10 -121.50 -132.95 -130.22 -132.18 . . 0 "[ . 1]"
27 . 1 30 ALA C 1 31 THR N 1 31 THR CA 1 31 THR C -120.60 -62.20 -117.07 -117.19 -118.60 0.11 4 0 "[ . 1]"
28 . 1 32 TYR C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -65.60 -53.20 -65.01 -66.35 -62.05 0.75 2 0 "[ . 1]"
29 . 1 33 ALA C 1 34 GLY N 1 34 GLY CA 1 34 GLY C -77.20 -62.40 -70.77 -68.53 -73.41 0.82 1 0 "[ . 1]"
30 . 1 34 GLY C 1 35 ASP N 1 35 ASP CA 1 35 ASP C -100.90 -77.90 -97.06 -90.81 -93.26 1.46 8 0 "[ . 1]"
31 . 1 35 ASP C 1 36 VAL N 1 36 VAL CA 1 36 VAL C -120.40 -71.20 -120.20 -121.72 -113.69 1.32 6 0 "[ . 1]"
32 . 1 39 ILE C 1 40 ASP N 1 40 ASP CA 1 40 ASP C -88.20 -61.00 -84.95 -88.20 -88.50 1.06 3 0 "[ . 1]"
33 . 1 40 ASP C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -67.00 -53.80 -65.03 -56.02 -63.85 1.34 9 0 "[ . 1]"
34 . 1 41 GLU C 1 42 GLY N 1 42 GLY CA 1 42 GLY C -67.80 -56.40 -64.39 -67.08 -61.08 . . 0 "[ . 1]"
35 . 1 42 GLY C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -75.30 -63.30 -66.04 -65.92 -68.25 0.34 9 0 "[ . 1]"
36 . 1 43 ILE C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -72.10 -61.30 -64.70 -68.12 -60.88 0.42 3 0 "[ . 1]"
37 . 1 44 LEU C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -69.80 -60.00 -64.36 -66.80 -62.37 . . 0 "[ . 1]"
38 . 1 45 ALA C 1 46 GLY N 1 46 GLY CA 1 46 GLY C -70.50 -60.30 -62.55 -60.19 -60.80 0.75 3 0 "[ . 1]"
39 . 1 46 GLY C 1 47 THR N 1 47 THR CA 1 47 THR C -72.00 -61.80 -72.51 -73.34 -73.68 1.68 1 0 "[ . 1]"
40 . 1 47 THR C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -74.40 -61.80 -74.28 -75.34 -72.73 0.94 4 0 "[ . 1]"
41 . 1 48 LEU C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -73.20 -57.00 -56.86 -59.67 -54.16 2.84 9 0 "[ . 1]"
42 . 1 49 LYS C 1 50 ASN N 1 50 ASN CA 1 50 ASN C -77.30 -61.70 -64.16 -69.54 -60.57 1.13 8 0 "[ . 1]"
43 . 1 50 ASN C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -98.20 -68.00 -85.31 -83.57 -85.53 . . 0 "[ . 1]"
44 . 1 58 THR C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -74.00 -55.20 -63.81 -62.54 -64.76 . . 0 "[ . 1]"
45 . 1 60 GLY C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -113.50 -73.10 -106.31 -100.24 -103.16 . . 0 "[ . 1]"
46 . 1 62 GLY C 1 63 LEU N 1 63 LEU CA 1 63 LEU C -126.10 -104.70 -109.89 -114.07 -106.25 . . 0 "[ . 1]"
47 . 1 63 LEU C 1 64 PHE N 1 64 PHE CA 1 64 PHE C -130.90 -99.50 -113.14 -118.81 -106.34 . . 0 "[ . 1]"
48 . 1 64 PHE C 1 65 ASN N 1 65 ASN CA 1 65 ASN C -151.60 -120.40 -121.84 -125.84 -119.69 0.71 7 0 "[ . 1]"
49 . 1 65 ASN C 1 66 GLN N 1 66 GLN CA 1 66 GLN C 48.20 61.60 60.82 60.24 59.35 1.80 3 0 "[ . 1]"
50 . 1 66 GLN C 1 67 CYS N 1 67 CYS CA 1 67 CYS C -142.20 -72.40 -111.33 -121.97 -92.23 . . 0 "[ . 1]"
51 . 1 67 CYS C 1 68 SER N 1 68 SER CA 1 68 SER C -158.50 -103.30 -127.76 -132.94 -136.53 . . 0 "[ . 1]"
52 . 1 68 SER C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -79.80 -55.80 -76.18 -65.83 -72.11 2.07 8 0 "[ . 1]"
53 . 1 69 LYS C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -108.20 -70.40 -93.98 -97.45 -98.73 . . 0 "[ . 1]"
54 . 1 70 LEU C 1 71 ASP N 1 71 ASP CA 1 71 ASP C -117.50 -75.90 -84.01 -100.63 -74.68 1.22 9 0 "[ . 1]"
55 . 1 71 ASP C 1 72 LEU N 1 72 LEU CA 1 72 LEU C -97.00 -57.60 -83.66 -98.29 -66.69 1.29 3 0 "[ . 1]"
56 . 1 72 LEU C 1 73 GLN N 1 73 GLN CA 1 73 GLN C -103.70 -67.10 -90.19 -73.95 -83.58 2.98 8 0 "[ . 1]"
57 . 1 73 GLN C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -114.00 -70.40 -95.35 -114.73 -70.02 0.73 7 0 "[ . 1]"
58 . 1 82 GLN C 1 83 ASP N 1 83 ASP CA 1 83 ASP C -87.30 -64.50 -82.22 -88.11 -64.78 0.81 3 0 "[ . 1]"
59 . 1 84 LEU C 1 85 VAL N 1 85 VAL CA 1 85 VAL C -65.70 -50.10 -65.85 -67.07 -61.52 1.37 3 0 "[ . 1]"
60 . 1 85 VAL C 1 86 ASN N 1 86 ASN CA 1 86 ASN C -70.70 -56.10 -71.09 -72.18 -68.82 1.48 10 0 "[ . 1]"
61 . 1 86 ASN C 1 87 GLN N 1 87 GLN CA 1 87 GLN C -83.70 -66.50 -83.98 -83.86 -84.11 1.43 8 0 "[ . 1]"
62 . 1 87 GLN C 1 88 LYS N 1 88 LYS CA 1 88 LYS C -114.00 -89.20 -105.70 -114.42 -95.35 0.42 5 0 "[ . 1]"
63 . 1 88 LYS C 1 89 CYS N 1 89 CYS CA 1 89 CYS C -105.70 -70.30 -110.17 -109.59 -110.33 6.25 7 5 "[* - . +**1]"
64 . 1 90 LYS C 1 91 GLN N 1 91 GLN CA 1 91 GLN C -107.30 -55.50 -106.00 -108.83 -91.56 1.53 9 0 "[ . 1]"
65 . 1 91 GLN C 1 92 ASN N 1 92 ASN CA 1 92 ASN C -92.70 -66.90 -66.54 -70.22 -63.13 3.77 7 0 "[ . 1]"
66 . 1 92 ASN C 1 93 ILE N 1 93 ILE CA 1 93 ILE C -112.80 -88.80 -93.33 -97.53 -88.18 0.62 6 0 "[ . 1]"
67 . 1 93 ILE C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -141.40 -123.80 -136.02 -142.07 -128.22 0.67 3 0 "[ . 1]"
68 . 1 94 ALA C 1 95 CYS N 1 95 CYS CA 1 95 CYS C -109.50 -81.70 -105.16 -98.29 -103.13 0.50 5 0 "[ . 1]"
69 . 1 95 CYS C 1 96 CYS N 1 96 CYS CA 1 96 CYS C -147.10 -113.70 -111.17 -112.35 -112.85 4.72 8 0 "[ . 1]"
70 . 1 96 CYS C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -90.40 -58.80 -72.83 -69.78 -70.62 . . 0 "[ . 1]"
71 . 1 111 GLY C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -128.10 -87.30 -105.58 -115.29 -95.02 . . 0 "[ . 1]"
72 . 1 112 LEU C 1 113 PRO N 1 113 PRO CA 1 113 PRO C -81.20 -61.40 -68.83 -76.53 -62.18 . . 0 "[ . 1]"
73 . 1 113 PRO C 1 114 CYS N 1 114 CYS CA 1 114 CYS C -153.00 -133.40 -153.31 -149.78 -152.55 2.41 4 0 "[ . 1]"
74 . 1 114 CYS C 1 115 ILE N 1 115 ILE CA 1 115 ILE C -140.30 -107.30 -129.25 -125.06 -127.12 . . 0 "[ . 1]"
75 . 1 115 ILE C 1 116 ALA N 1 116 ALA CA 1 116 ALA C -83.90 -53.70 -61.21 -63.32 -65.48 0.12 5 0 "[ . 1]"
76 . 1 116 ALA C 1 117 LEU N 1 117 LEU CA 1 117 LEU C -71.00 -52.60 -62.91 -65.12 -58.73 . . 0 "[ . 1]"
77 . 1 117 LEU C 1 118 GLY N 1 118 GLY CA 1 118 GLY C -76.80 -56.00 -69.68 -72.91 -65.92 . . 0 "[ . 1]"
78 . 1 118 GLY C 1 119 SER N 1 119 SER CA 1 119 SER C -91.20 -68.60 -76.13 -78.14 -80.60 . . 0 "[ . 1]"
79 . 1 119 SER C 1 120 ILE N 1 120 ILE CA 1 120 ILE C -120.30 -91.70 -99.50 -103.97 -95.15 . . 0 "[ . 1]"
80 . 1 1 VAL N 1 1 VAL CA 1 1 VAL C 1 2 ARG N 116.90 139.70 117.65 115.11 114.66 2.24 1 0 "[ . 1]"
81 . 1 2 ARG N 1 2 ARG CA 1 2 ARG C 1 3 PHE N -47.40 -24.60 -26.97 -24.47 -25.64 1.70 4 0 "[ . 1]"
82 . 1 3 PHE N 1 3 PHE CA 1 3 PHE C 1 4 PRO N 89.20 178.00 89.89 90.98 89.30 2.29 4 0 "[ . 1]"
83 . 1 4 PRO N 1 4 PRO CA 1 4 PRO C 1 5 VAL N 128.10 152.10 147.54 147.96 146.00 0.77 10 0 "[ . 1]"
84 . 1 5 VAL N 1 5 VAL CA 1 5 VAL C 1 6 PRO N 119.00 169.00 132.89 134.69 133.36 . . 0 "[ . 1]"
85 . 1 6 PRO N 1 6 PRO CA 1 6 PRO C 1 7 ASP N 136.90 155.10 135.62 135.34 135.09 2.47 8 0 "[ . 1]"
86 . 1 7 ASP N 1 7 ASP CA 1 7 ASP C 1 8 ASP N -35.00 -10.60 -12.66 -11.73 -16.06 0.38 4 0 "[ . 1]"
87 . 1 8 ASP N 1 8 ASP CA 1 8 ASP C 1 9 ILE N -13.50 23.50 5.50 -1.42 12.57 . . 0 "[ . 1]"
88 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 THR N 113.40 142.40 124.69 122.39 119.44 . . 0 "[ . 1]"
89 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 VAL N 160.00 172.20 160.90 159.52 163.81 0.48 10 0 "[ . 1]"
90 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 LYS N -43.80 -32.40 -40.76 -44.20 -36.54 0.40 10 0 "[ . 1]"
91 . 1 12 LYS N 1 12 LYS CA 1 12 LYS C 1 13 GLN N -46.10 -36.10 -46.62 -46.62 -46.82 1.42 5 0 "[ . 1]"
92 . 1 13 GLN N 1 13 GLN CA 1 13 GLN C 1 14 ALA N -46.00 -36.00 -41.57 -40.48 -40.99 0.13 4 0 "[ . 1]"
93 . 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 THR N -47.90 -35.30 -40.89 -39.48 -40.63 . . 0 "[ . 1]"
94 . 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 GLU N -47.40 -35.00 -44.80 -47.77 -39.03 0.37 3 0 "[ . 1]"
95 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 LYS N -43.70 -29.10 -33.32 -41.77 -28.15 0.95 3 0 "[ . 1]"
96 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 CYS N -40.40 -20.40 -34.01 -24.04 -29.88 0.52 6 0 "[ . 1]"
97 . 1 18 CYS N 1 18 CYS CA 1 18 CYS C 1 19 GLY N -19.90 10.10 -12.62 -22.33 14.03 3.93 6 0 "[ . 1]"
98 . 1 21 GLN N 1 21 GLN CA 1 21 GLN C 1 22 ALA N -7.20 22.20 12.84 19.63 15.29 1.34 9 0 "[ . 1]"
99 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 GLN N 120.80 165.00 146.60 126.51 163.89 . . 0 "[ . 1]"
100 . 1 23 GLN N 1 23 GLN CA 1 23 GLN C 1 24 LEU N 107.70 141.70 132.91 121.55 144.19 2.49 1 0 "[ . 1]"
101 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 SER N 119.80 137.60 126.18 118.56 136.68 1.24 2 0 "[ . 1]"
102 . 1 25 SER N 1 25 SER CA 1 25 SER C 1 26 CYS N 126.20 160.20 136.66 145.97 140.19 0.06 8 0 "[ . 1]"
103 . 1 26 CYS N 1 26 CYS CA 1 26 CYS C 1 27 CYS N 117.20 140.80 118.30 124.13 120.63 1.77 8 0 "[ . 1]"
104 . 1 27 CYS N 1 27 CYS CA 1 27 CYS C 1 28 ASN N 128.40 157.40 137.27 129.36 144.71 . . 0 "[ . 1]"
105 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 ALA N 138.60 158.60 140.41 137.83 145.24 0.77 10 0 "[ . 1]"
106 . 1 30 ALA N 1 30 ALA CA 1 30 ALA C 1 31 THR N 122.60 143.00 124.72 120.92 128.36 1.68 3 0 "[ . 1]"
107 . 1 31 THR N 1 31 THR CA 1 31 THR C 1 32 TYR N 116.70 149.30 115.55 115.58 115.33 1.61 5 0 "[ . 1]"
108 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 GLY N -38.50 -24.70 -30.25 -30.30 -31.32 . . 0 "[ . 1]"
109 . 1 34 GLY N 1 34 GLY CA 1 34 GLY C 1 35 ASP N -24.50 -8.10 -16.13 -24.97 -7.37 0.73 4 0 "[ . 1]"
110 . 1 35 ASP N 1 35 ASP CA 1 35 ASP C 1 36 VAL N -16.60 2.20 -17.16 -18.64 -14.50 2.04 10 0 "[ . 1]"
111 . 1 36 VAL N 1 36 VAL CA 1 36 VAL C 1 37 THR N 125.90 166.50 134.21 125.01 150.31 0.89 7 0 "[ . 1]"
112 . 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 GLU N 99.80 146.40 104.25 98.52 109.78 1.28 3 0 "[ . 1]"
113 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 GLY N -42.10 -26.90 -31.31 -36.90 -26.93 . . 0 "[ . 1]"
114 . 1 42 GLY N 1 42 GLY CA 1 42 GLY C 1 43 ILE N -50.70 -33.10 -41.44 -45.82 -35.84 . . 0 "[ . 1]"
115 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 LEU N -48.30 -32.10 -46.71 -46.41 -47.43 0.54 3 0 "[ . 1]"
116 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 ALA N -50.00 -31.60 -42.33 -45.58 -38.88 . . 0 "[ . 1]"
117 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 GLY N -46.70 -31.70 -40.26 -45.40 -34.73 . . 0 "[ . 1]"
118 . 1 46 GLY N 1 46 GLY CA 1 46 GLY C 1 47 THR N -47.60 -35.60 -45.16 -42.00 -44.17 0.37 1 0 "[ . 1]"
119 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 LEU N -43.90 -31.50 -43.04 -44.93 -40.60 1.03 3 0 "[ . 1]"
120 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 LYS N -46.10 -28.10 -25.65 -27.60 -22.55 5.55 9 1 "[ . +1]"
121 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 ASN N -47.50 -31.70 -31.42 -35.44 -29.00 2.70 8 0 "[ . 1]"
122 . 1 50 ASN N 1 50 ASN CA 1 50 ASN C 1 51 LEU N -40.60 -22.80 -25.35 -24.21 -26.37 0.57 9 0 "[ . 1]"
123 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 ILE N -37.30 -5.50 -33.82 -37.43 -27.55 0.13 2 0 "[ . 1]"
124 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 GLY N -38.70 -14.10 -24.82 -33.94 -13.70 0.40 6 0 "[ . 1]"
125 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 GLY N 121.40 147.80 143.10 139.88 148.49 0.69 3 0 "[ . 1]"
126 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 PHE N 119.30 132.90 128.37 122.87 133.22 0.32 8 0 "[ . 1]"
127 . 1 64 PHE N 1 64 PHE CA 1 64 PHE C 1 65 ASN N 119.50 145.90 136.24 136.40 133.72 . . 0 "[ . 1]"
128 . 1 65 ASN N 1 65 ASN CA 1 65 ASN C 1 66 GLN N 133.10 173.30 153.55 149.67 159.58 . . 0 "[ . 1]"
129 . 1 66 GLN N 1 66 GLN CA 1 66 GLN C 1 67 CYS N 32.20 57.20 57.59 58.70 58.19 1.96 2 0 "[ . 1]"
130 . 1 67 CYS N 1 67 CYS CA 1 67 CYS C 1 68 SER N 129.40 165.20 141.23 130.35 155.74 . . 0 "[ . 1]"
131 . 1 68 SER N 1 68 SER CA 1 68 SER C 1 69 LYS N 132.50 163.10 137.70 132.28 131.52 1.99 8 0 "[ . 1]"
132 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 LEU N 120.20 147.40 144.36 147.85 147.47 1.53 8 0 "[ . 1]"
133 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 ASP N 108.50 142.70 134.88 135.54 124.99 0.01 9 0 "[ . 1]"
134 . 1 71 ASP N 1 71 ASP CA 1 71 ASP C 1 72 LEU N 95.90 144.70 131.65 140.54 135.88 0.95 6 0 "[ . 1]"
135 . 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1 73 GLN N 120.90 146.50 127.38 116.04 146.78 4.86 8 0 "[ . 1]"
136 . 1 73 GLN N 1 73 GLN CA 1 73 GLN C 1 74 ILE N 103.40 153.40 122.44 101.13 154.77 2.27 8 0 "[ . 1]"
137 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 PRO N 114.00 147.40 117.12 120.92 117.04 2.32 8 0 "[ . 1]"
138 . 1 83 ASP N 1 83 ASP CA 1 83 ASP C 1 84 LEU N 105.20 158.40 129.63 132.67 106.43 2.12 8 0 "[ . 1]"
139 . 1 85 VAL N 1 85 VAL CA 1 85 VAL C 1 86 ASN N -45.70 -27.30 -35.34 -36.08 -37.98 . . 0 "[ . 1]"
140 . 1 86 ASN N 1 86 ASN CA 1 86 ASN C 1 87 GLN N -37.00 -9.80 -14.80 -13.47 -15.58 0.64 10 0 "[ . 1]"
141 . 1 87 GLN N 1 87 GLN CA 1 87 GLN C 1 88 LYS N -25.60 -5.00 -26.46 -28.32 -25.68 2.72 5 0 "[ . 1]"
142 . 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 CYS N -11.20 12.80 -16.51 -14.72 -16.13 7.84 8 7 "[* **. *+*-]"
143 . 1 89 CYS N 1 89 CYS CA 1 89 CYS C 1 90 LYS N 112.60 141.80 125.94 111.93 139.35 0.67 6 0 "[ . 1]"
144 . 1 91 GLN N 1 91 GLN CA 1 91 GLN C 1 92 ASN N 132.20 166.00 170.26 168.29 173.40 7.40 7 3 "[- . +* 1]"
145 . 1 92 ASN N 1 92 ASN CA 1 92 ASN C 1 93 ILE N 113.10 140.50 129.90 122.78 114.90 0.06 4 0 "[ . 1]"
146 . 1 93 ILE N 1 93 ILE CA 1 93 ILE C 1 94 ALA N 116.00 136.00 123.60 123.64 120.81 . . 0 "[ . 1]"
147 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 CYS N 130.60 159.60 157.18 154.07 159.62 0.02 1 0 "[ . 1]"
148 . 1 95 CYS N 1 95 CYS CA 1 95 CYS C 1 96 CYS N 109.20 137.00 121.48 114.25 129.76 . . 0 "[ . 1]"
149 . 1 96 CYS N 1 96 CYS CA 1 96 CYS C 1 97 GLN N 141.30 159.50 141.35 139.34 147.26 1.96 6 0 "[ . 1]"
150 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 ASN N 119.30 151.10 131.21 129.52 123.45 . . 0 "[ . 1]"
151 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 PRO N 111.30 148.30 132.47 134.16 130.54 . . 0 "[ . 1]"
152 . 1 113 PRO N 1 113 PRO CA 1 113 PRO C 1 114 CYS N 125.40 151.20 122.03 120.96 120.71 4.69 1 0 "[ . 1]"
153 . 1 114 CYS N 1 114 CYS CA 1 114 CYS C 1 115 ILE N 154.30 175.10 163.07 157.57 169.15 . . 0 "[ . 1]"
154 . 1 115 ILE N 1 115 ILE CA 1 115 ILE C 1 116 ALA N 120.30 152.10 134.15 129.75 137.25 . . 0 "[ . 1]"
155 . 1 116 ALA N 1 116 ALA CA 1 116 ALA C 1 117 LEU N 115.20 145.80 124.74 121.13 130.05 . . 0 "[ . 1]"
156 . 1 117 LEU N 1 117 LEU CA 1 117 LEU C 1 118 GLY N -44.10 -17.70 -26.35 -20.74 -24.61 . . 0 "[ . 1]"
157 . 1 118 GLY N 1 118 GLY CA 1 118 GLY C 1 119 SER N -34.70 -9.50 -16.07 -9.45 -15.37 0.05 2 0 "[ . 1]"
158 . 1 119 SER N 1 119 SER CA 1 119 SER C 1 120 ILE N -28.90 -1.50 -28.18 -27.66 -29.12 1.26 6 0 "[ . 1]"
159 . 1 120 ILE N 1 120 ILE CA 1 120 ILE C 1 121 LEU N -9.10 13.30 -4.00 -9.45 -9.47 0.55 5 0 "[ . 1]"
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