NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
388853 |
1n6u   |
5049 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1n6u
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 88
_TA_constraint_stats_list.Viol_count 490
_TA_constraint_stats_list.Viol_total 10725.43
_TA_constraint_stats_list.Viol_max 3.94
_TA_constraint_stats_list.Viol_rms 0.61
_TA_constraint_stats_list.Viol_average_all_restraints 0.25
_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 5 PRO C 1 6 ASP N 1 6 ASP CA 1 6 ASP C -170.00 -70.00 -120.84 -170.03 -72.32 0.03 5 0 "[ . 1 . 2 ]"
2 . 1 6 ASP C 1 7 TYR N 1 7 TYR CA 1 7 TYR C -170.00 -70.00 -115.57 -92.43 -103.06 0.03 22 0 "[ . 1 . 2 ]"
3 . 1 7 TYR C 1 8 THR N 1 8 THR CA 1 8 THR C -170.00 -70.00 -128.31 -167.41 -69.97 0.03 22 0 "[ . 1 . 2 ]"
4 . 1 12 CYS C 1 13 THR N 1 13 THR CA 1 13 THR C -140.00 -100.00 -99.62 -101.94 -97.68 2.32 22 0 "[ . 1 . 2 ]"
5 . 1 13 THR C 1 14 PHE N 1 14 PHE CA 1 14 PHE C -170.00 -70.00 -98.80 -93.36 -94.59 . . 0 "[ . 1 . 2 ]"
6 . 1 14 PHE C 1 15 LYS N 1 15 LYS CA 1 15 LYS C -140.00 -100.00 -99.40 -99.50 -99.61 1.40 19 0 "[ . 1 . 2 ]"
7 . 1 15 LYS C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -170.00 -70.00 -110.68 -107.52 -108.03 . . 0 "[ . 1 . 2 ]"
8 . 1 16 ILE C 1 17 SER N 1 17 SER CA 1 17 SER C -170.00 -70.00 -120.38 -109.78 -111.28 . . 0 "[ . 1 . 2 ]"
9 . 1 21 PHE C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -150.00 -90.00 -116.29 -121.71 -109.80 . . 0 "[ . 1 . 2 ]"
10 . 1 22 ARG C 1 23 SER N 1 23 SER CA 1 23 SER C -150.00 -90.00 -89.09 -89.48 -88.52 1.48 21 0 "[ . 1 . 2 ]"
11 . 1 23 SER C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -150.00 -90.00 -147.36 -150.18 -140.55 0.18 19 0 "[ . 1 . 2 ]"
12 . 1 24 ILE C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -150.00 -90.00 -103.15 -101.40 -101.79 . . 0 "[ . 1 . 2 ]"
13 . 1 25 LEU C 1 26 SER N 1 26 SER CA 1 26 SER C -140.00 -100.00 -124.34 -130.03 -114.58 . . 0 "[ . 1 . 2 ]"
14 . 1 26 SER C 1 27 TRP N 1 27 TRP CA 1 27 TRP C -140.00 -100.00 -142.24 -142.45 -142.54 2.72 6 0 "[ . 1 . 2 ]"
15 . 1 27 TRP C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -170.00 -70.00 -129.78 -128.77 -132.09 . . 0 "[ . 1 . 2 ]"
16 . 1 33 SER C 1 34 ILE N 1 34 ILE CA 1 34 ILE C -170.00 -70.00 -89.13 -124.59 -69.80 0.20 20 0 "[ . 1 . 2 ]"
17 . 1 34 ILE C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -170.00 -70.00 -106.64 -141.23 -79.84 . . 0 "[ . 1 . 2 ]"
18 . 1 36 PRO C 1 37 THR N 1 37 THR CA 1 37 THR C -140.00 -100.00 -124.67 -130.92 -132.36 0.11 7 0 "[ . 1 . 2 ]"
19 . 1 37 THR C 1 38 HIS N 1 38 HIS CA 1 38 HIS C -90.00 -40.00 -90.41 -90.34 -90.41 1.33 9 0 "[ . 1 . 2 ]"
20 . 1 38 HIS C 1 39 TYR N 1 39 TYR CA 1 39 TYR C -140.00 -100.00 -132.59 -138.80 -119.59 . . 0 "[ . 1 . 2 ]"
21 . 1 39 TYR C 1 40 THR N 1 40 THR CA 1 40 THR C -140.00 -100.00 -139.64 -139.29 -140.02 1.07 11 0 "[ . 1 . 2 ]"
22 . 1 41 LEU C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -140.00 -100.00 -107.90 -113.30 -102.54 . . 0 "[ . 1 . 2 ]"
23 . 1 43 TYR C 1 44 THR N 1 44 THR CA 1 44 THR C -170.00 -70.00 -152.58 -149.68 -151.41 . . 0 "[ . 1 . 2 ]"
24 . 1 44 THR C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -140.00 -100.00 -111.94 -109.92 -112.50 . . 0 "[ . 1 . 2 ]"
25 . 1 45 ILE C 1 46 MET N 1 46 MET CA 1 46 MET C -90.00 -40.00 -38.43 -38.93 -37.69 2.31 15 0 "[ . 1 . 2 ]"
26 . 1 47 SER C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -140.00 -100.00 -133.09 -128.95 -130.57 0.22 15 0 "[ . 1 . 2 ]"
27 . 1 51 ASP C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -90.00 -40.00 -86.49 -86.78 -88.11 0.25 4 0 "[ . 1 . 2 ]"
28 . 1 52 LEU C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -170.00 -70.00 -128.34 -136.80 -81.59 . . 0 "[ . 1 . 2 ]"
29 . 1 60 ASN C 1 61 THR N 1 61 THR CA 1 61 THR C -140.00 -100.00 -125.92 -127.66 -124.12 . . 0 "[ . 1 . 2 ]"
30 . 1 61 THR C 1 62 THR N 1 62 THR CA 1 62 THR C -140.00 -100.00 -97.46 -98.12 -97.04 2.96 6 0 "[ . 1 . 2 ]"
31 . 1 63 ARG C 1 64 SER N 1 64 SER CA 1 64 SER C -170.00 -70.00 -117.11 -118.01 -116.08 . . 0 "[ . 1 . 2 ]"
32 . 1 65 PHE C 1 66 CYS N 1 66 CYS CA 1 66 CYS C -140.00 -100.00 -102.24 -98.88 -98.96 1.91 11 0 "[ . 1 . 2 ]"
33 . 1 66 CYS C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -170.00 -70.00 -100.46 -94.36 -96.64 . . 0 "[ . 1 . 2 ]"
34 . 1 67 ASP C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -170.00 -70.00 -170.60 -170.07 -170.38 0.91 19 0 "[ . 1 . 2 ]"
35 . 1 76 HIS C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -170.00 -70.00 -122.06 -143.53 -97.09 . . 0 "[ . 1 . 2 ]"
36 . 1 79 TYR C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -170.00 -70.00 -68.46 -68.52 -68.54 2.40 14 0 "[ . 1 . 2 ]"
37 . 1 80 VAL C 1 81 THR N 1 81 THR CA 1 81 THR C -140.00 -100.00 -128.21 -140.37 -115.60 0.37 20 0 "[ . 1 . 2 ]"
38 . 1 81 THR C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -140.00 -100.00 -127.44 -139.95 -117.56 . . 0 "[ . 1 . 2 ]"
39 . 1 83 LEU C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -170.00 -70.00 -103.57 -94.89 -96.02 . . 0 "[ . 1 . 2 ]"
40 . 1 86 PHE C 1 87 SER N 1 87 SER CA 1 87 SER C -170.00 -70.00 -79.33 -79.23 -79.34 . . 0 "[ . 1 . 2 ]"
41 . 1 89 ASN C 1 90 THR N 1 90 THR CA 1 90 THR C -170.00 -70.00 -110.35 -110.35 -110.38 . . 0 "[ . 1 . 2 ]"
42 . 1 94 SER C 1 95 CYS N 1 95 CYS CA 1 95 CYS C -170.00 -70.00 -110.31 -121.87 -122.53 0.68 7 0 "[ . 1 . 2 ]"
43 . 1 96 SER C 1 97 HIS N 1 97 HIS CA 1 97 HIS C -170.00 -70.00 -163.62 -165.47 -167.98 0.21 8 0 "[ . 1 . 2 ]"
44 . 1 98 ASN C 1 99 PHE N 1 99 PHE CA 1 99 PHE C -170.00 -70.00 -76.14 -97.97 -69.78 0.22 9 0 "[ . 1 . 2 ]"
45 . 1 99 PHE C 1 100 TRP N 1 100 TRP CA 1 100 TRP C -170.00 -70.00 -94.67 -91.72 -92.30 . . 0 "[ . 1 . 2 ]"
46 . 1 100 TRP C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -90.00 -40.00 -62.32 -63.23 -64.06 1.40 22 0 "[ . 1 . 2 ]"
47 . 1 101 LEU C 1 102 ALA N 1 102 ALA CA 1 102 ALA C -90.00 -40.00 -41.20 -42.04 -42.42 0.82 20 0 "[ . 1 . 2 ]"
48 . 1 105 MET C 1 106 SER N 1 106 SER CA 1 106 SER C -170.00 -70.00 -95.63 -88.39 -90.07 . . 0 "[ . 1 . 2 ]"
49 . 1 110 PRO C 1 111 GLU N 1 111 GLU CA 1 111 GLU C -170.00 -70.00 -96.16 -95.23 -96.54 . . 0 "[ . 1 . 2 ]"
50 . 1 112 PHE C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -150.00 -90.00 -141.28 -151.18 -125.35 1.18 22 0 "[ . 1 . 2 ]"
51 . 1 113 GLU C 1 114 ILE N 1 114 ILE CA 1 114 ILE C -150.00 -90.00 -150.81 -151.80 -152.11 2.29 1 0 "[ . 1 . 2 ]"
52 . 1 114 ILE C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -150.00 -90.00 -104.41 -107.48 -108.34 0.03 7 0 "[ . 1 . 2 ]"
53 . 1 116 GLY C 1 117 PHE N 1 117 PHE CA 1 117 PHE C -150.00 -90.00 -99.46 -89.59 -89.60 0.81 12 0 "[ . 1 . 2 ]"
54 . 1 120 HIS C 1 121 ILE N 1 121 ILE CA 1 121 ILE C -140.00 -100.00 -127.00 -138.87 -115.90 . . 0 "[ . 1 . 2 ]"
55 . 1 121 ILE C 1 122 ASN N 1 122 ASN CA 1 122 ASN C -140.00 -100.00 -120.59 -126.17 -126.84 1.05 22 0 "[ . 1 . 2 ]"
56 . 1 122 ASN C 1 123 VAL N 1 123 VAL CA 1 123 VAL C -140.00 -100.00 -100.94 -99.50 -99.56 0.94 10 0 "[ . 1 . 2 ]"
57 . 1 124 MET C 1 125 VAL N 1 125 VAL CA 1 125 VAL C -140.00 -100.00 -99.77 -103.41 -99.21 0.79 1 0 "[ . 1 . 2 ]"
58 . 1 126 LYS C 1 127 PHE N 1 127 PHE CA 1 127 PHE C -150.00 -90.00 -93.01 -138.80 -88.46 1.54 22 0 "[ . 1 . 2 ]"
59 . 1 131 VAL C 1 132 GLU N 1 132 GLU CA 1 132 GLU C -90.00 -40.00 -43.03 -57.32 -38.90 1.10 19 0 "[ . 1 . 2 ]"
60 . 1 132 GLU C 1 133 GLU N 1 133 GLU CA 1 133 GLU C -90.00 -40.00 -54.13 -53.88 -55.06 . . 0 "[ . 1 . 2 ]"
61 . 1 136 GLN C 1 137 PHE N 1 137 PHE CA 1 137 PHE C -170.00 -70.00 -105.72 -82.03 -105.40 1.57 4 0 "[ . 1 . 2 ]"
62 . 1 139 LEU C 1 140 SER N 1 140 SER CA 1 140 SER C -150.00 -90.00 -112.35 -128.62 -92.48 . . 0 "[ . 1 . 2 ]"
63 . 1 141 LEU C 1 142 VAL N 1 142 VAL CA 1 142 VAL C -150.00 -90.00 -119.72 -126.25 -113.67 . . 0 "[ . 1 . 2 ]"
64 . 1 144 GLU C 1 145 GLU N 1 145 GLU CA 1 145 GLU C -150.00 -90.00 -104.34 -134.06 -89.61 0.39 19 0 "[ . 1 . 2 ]"
65 . 1 145 GLU C 1 146 GLN N 1 146 GLN CA 1 146 GLN C -150.00 -90.00 -112.47 -133.12 -98.02 . . 0 "[ . 1 . 2 ]"
66 . 1 146 GLN C 1 147 SER N 1 147 SER CA 1 147 SER C -150.00 -90.00 -89.08 -88.26 -88.72 2.56 12 0 "[ . 1 . 2 ]"
67 . 1 149 GLY C 1 150 ILE N 1 150 ILE CA 1 150 ILE C -150.00 -90.00 -98.72 -115.38 -89.58 0.42 7 0 "[ . 1 . 2 ]"
68 . 1 150 ILE C 1 151 VAL N 1 151 VAL CA 1 151 VAL C -150.00 -90.00 -103.17 -115.22 -89.96 0.04 19 0 "[ . 1 . 2 ]"
69 . 1 152 LYS C 1 153 LYS N 1 153 LYS CA 1 153 LYS C -150.00 -90.00 -120.73 -88.07 -115.86 2.79 14 0 "[ . 1 . 2 ]"
70 . 1 153 LYS C 1 154 HIS N 1 154 HIS CA 1 154 HIS C -150.00 -90.00 -104.35 -119.57 -88.90 1.10 8 0 "[ . 1 . 2 ]"
71 . 1 154 HIS C 1 155 LYS N 1 155 LYS CA 1 155 LYS C -170.00 -70.00 -144.70 -146.75 -152.37 . . 0 "[ . 1 . 2 ]"
72 . 1 158 ILE C 1 159 LYS N 1 159 LYS CA 1 159 LYS C -90.00 -40.00 -62.84 -50.47 -56.30 . . 0 "[ . 1 . 2 ]"
73 . 1 164 GLY C 1 165 ASN N 1 165 ASN CA 1 165 ASN C -90.00 -40.00 -86.52 -83.67 -86.73 0.29 21 0 "[ . 1 . 2 ]"
74 . 1 166 PHE C 1 167 THR N 1 167 THR CA 1 167 THR C -150.00 -90.00 -124.01 -130.84 -118.96 . . 0 "[ . 1 . 2 ]"
75 . 1 167 THR C 1 168 TYR N 1 168 TYR CA 1 168 TYR C -150.00 -90.00 -123.45 -123.64 -124.03 . . 0 "[ . 1 . 2 ]"
76 . 1 168 TYR C 1 169 ILE N 1 169 ILE CA 1 169 ILE C -150.00 -90.00 -127.08 -126.99 -127.80 . . 0 "[ . 1 . 2 ]"
77 . 1 169 ILE C 1 170 ILE N 1 170 ILE CA 1 170 ILE C -170.00 -70.00 -93.51 -108.46 -73.18 . . 0 "[ . 1 . 2 ]"
78 . 1 176 ASN C 1 177 THR N 1 177 THR CA 1 177 THR C -170.00 -70.00 -135.53 -138.95 -139.92 . . 0 "[ . 1 . 2 ]"
79 . 1 178 ASN C 1 179 TYR N 1 179 TYR CA 1 179 TYR C -170.00 -70.00 -112.71 -118.52 -93.36 . . 0 "[ . 1 . 2 ]"
80 . 1 179 TYR C 1 180 CYS N 1 180 CYS CA 1 180 CYS C -150.00 -90.00 -95.57 -102.04 -90.53 . . 0 "[ . 1 . 2 ]"
81 . 1 180 CYS C 1 181 VAL N 1 181 VAL CA 1 181 VAL C -150.00 -90.00 -92.50 -101.15 -88.13 1.87 7 0 "[ . 1 . 2 ]"
82 . 1 182 SER C 1 183 VAL N 1 183 VAL CA 1 183 VAL C -150.00 -90.00 -135.31 -147.72 -96.57 . . 0 "[ . 1 . 2 ]"
83 . 1 184 TYR C 1 185 LEU N 1 185 LEU CA 1 185 LEU C -150.00 -90.00 -96.09 -109.26 -89.18 0.82 10 0 "[ . 1 . 2 ]"
84 . 1 185 LEU C 1 186 GLU N 1 186 GLU CA 1 186 GLU C -150.00 -90.00 -144.45 -150.72 -132.85 0.72 20 0 "[ . 1 . 2 ]"
85 . 1 191 GLN C 1 192 ALA N 1 192 ALA CA 1 192 ALA C -90.00 -40.00 -92.94 -93.94 -91.93 3.94 21 0 "[ . 1 . 2 ]"
86 . 1 193 VAL C 1 194 ILE N 1 194 ILE CA 1 194 ILE C -170.00 -70.00 -82.66 -79.26 -79.81 . . 0 "[ . 1 . 2 ]"
87 . 1 198 LEU C 1 199 LYS N 1 199 LYS CA 1 199 LYS C -150.00 -90.00 -115.42 -135.57 -90.96 . . 0 "[ . 1 . 2 ]"
88 . 1 200 CYS C 1 201 THR N 1 201 THR CA 1 201 THR C -150.00 -90.00 -94.16 -92.08 -92.49 1.41 21 0 "[ . 1 . 2 ]"
stop_
save_
save_distance_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 92
_TA_constraint_stats_list.Viol_count 777
_TA_constraint_stats_list.Viol_total 33706.23
_TA_constraint_stats_list.Viol_max 48.28
_TA_constraint_stats_list.Viol_rms 3.86
_TA_constraint_stats_list.Viol_average_all_restraints 0.76
_TA_constraint_stats_list.Viol_average_violations_only 1.97
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 15 LYS N 1 15 LYS CA 1 15 LYS C 1 16 ILE N 110.00 140.00 128.72 121.42 121.38 0.69 13 0 "[ . 1 . 2 ]"
2 . 1 15 LYS C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -135.00 -105.00 -110.68 -107.52 -108.03 0.54 18 0 "[ . 1 . 2 ]"
3 . 1 18 LEU C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -130.00 -70.00 -99.25 -93.15 -94.59 0.04 13 0 "[ . 1 . 2 ]"
4 . 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 ASN N 90.00 150.00 120.90 122.26 120.71 . . 0 "[ . 1 . 2 ]"
5 . 1 20 ASN C 1 21 PHE N 1 21 PHE CA 1 21 PHE C 40.00 80.00 50.60 51.46 51.23 . . 0 "[ . 1 . 2 ]"
6 . 1 21 PHE N 1 21 PHE CA 1 21 PHE C 1 22 ARG N 40.00 80.00 38.23 38.37 38.33 2.54 4 0 "[ . 1 . 2 ]"
7 . 1 28 GLU C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -125.00 -75.00 -110.88 -109.61 -112.49 0.38 9 0 "[ . 1 . 2 ]"
8 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 LYS N 110.00 150.00 106.00 105.86 105.76 4.44 20 0 "[ . 1 . 2 ]"
9 . 1 29 LEU C 1 30 LYS N 1 30 LYS CA 1 30 LYS C -100.00 -60.00 -81.52 -75.42 -79.62 0.92 20 0 "[ . 1 . 2 ]"
10 . 1 30 LYS N 1 30 LYS CA 1 30 LYS C 1 31 ASN N 130.00 170.00 156.47 141.28 170.13 0.13 8 0 "[ . 1 . 2 ]"
11 . 1 30 LYS C 1 31 ASN N 1 31 ASN CA 1 31 ASN C -130.00 -50.00 -122.06 -130.19 -89.98 0.19 11 0 "[ . 1 . 2 ]"
12 . 1 31 ASN C 1 32 HIS N 1 32 HIS CA 1 32 HIS C -120.00 -60.00 -105.27 -76.62 -93.52 0.29 20 0 "[ . 1 . 2 ]"
13 . 1 32 HIS C 1 33 SER N 1 33 SER CA 1 33 SER C -110.00 -50.00 -95.22 -110.06 -70.47 0.06 14 0 "[ . 1 . 2 ]"
14 . 1 33 SER C 1 34 ILE N 1 34 ILE CA 1 34 ILE C -130.00 -70.00 -89.13 -124.59 -69.80 0.20 20 0 "[ . 1 . 2 ]"
15 . 1 34 ILE N 1 34 ILE CA 1 34 ILE C 1 35 VAL N 90.00 150.00 132.09 88.61 150.14 1.39 20 0 "[ . 1 . 2 ]"
16 . 1 34 ILE C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -140.00 -80.00 -106.64 -141.23 -79.84 1.23 20 0 "[ . 1 . 2 ]"
17 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 PRO N 90.00 150.00 107.50 106.80 104.57 1.61 20 0 "[ . 1 . 2 ]"
18 . 1 46 MET C 1 47 SER N 1 47 SER CA 1 47 SER C -105.00 -65.00 -64.30 -64.40 -64.61 2.27 13 0 "[ . 1 . 2 ]"
19 . 1 47 SER N 1 47 SER CA 1 47 SER C 1 48 LYS N -30.00 10.00 -26.53 -30.53 -17.23 0.53 5 0 "[ . 1 . 2 ]"
20 . 1 58 CYS C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -140.00 -80.00 -92.26 -94.31 -95.97 . . 0 "[ . 1 . 2 ]"
21 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 ASN N 120.00 180.00 156.47 153.78 162.47 . . 0 "[ . 1 . 2 ]"
22 . 1 59 ALA C 1 60 ASN N 1 60 ASN CA 1 60 ASN C -50.00 10.00 11.58 10.75 12.41 2.41 11 0 "[ . 1 . 2 ]"
23 . 1 60 ASN N 1 60 ASN CA 1 60 ASN C 1 61 THR N 80.00 120.00 77.41 76.80 78.26 3.20 2 0 "[ . 1 . 2 ]"
24 . 1 63 ARG C 1 64 SER N 1 64 SER CA 1 64 SER C -115.00 -65.00 -117.11 -118.01 -116.08 3.01 5 0 "[ . 1 . 2 ]"
25 . 1 64 SER C 1 65 PHE N 1 65 PHE CA 1 65 PHE C -120.00 -70.00 -72.25 -70.04 -70.94 1.05 19 0 "[ . 1 . 2 ]"
26 . 1 68 LEU C 1 69 THR N 1 69 THR CA 1 69 THR C -85.00 -45.00 -85.49 -85.27 -85.40 1.07 21 0 "[ . 1 . 2 ]"
27 . 1 69 THR N 1 69 THR CA 1 69 THR C 1 70 ASP N -60.00 -20.00 -48.34 -47.77 -47.96 . . 0 "[ . 1 . 2 ]"
28 . 1 69 THR C 1 70 ASP N 1 70 ASP CA 1 70 ASP C -115.00 -55.00 -110.66 -115.23 -107.02 0.23 15 0 "[ . 1 . 2 ]"
29 . 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1 71 GLU N -45.00 15.00 9.04 0.23 15.30 0.30 19 0 "[ . 1 . 2 ]"
30 . 1 70 ASP C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -110.00 -70.00 -87.53 -88.15 -90.55 . . 0 "[ . 1 . 2 ]"
31 . 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 TRP N -50.00 10.00 -23.28 -30.24 -19.50 . . 0 "[ . 1 . 2 ]"
32 . 1 85 GLY C 1 86 PHE N 1 86 PHE CA 1 86 PHE C -140.00 -80.00 -107.26 -140.98 -79.91 0.98 20 0 "[ . 1 . 2 ]"
33 . 1 86 PHE N 1 86 PHE CA 1 86 PHE C 1 87 SER N 120.00 180.00 130.71 126.75 125.13 . . 0 "[ . 1 . 2 ]"
34 . 1 86 PHE C 1 87 SER N 1 87 SER CA 1 87 SER C -140.00 -80.00 -79.33 -79.23 -79.34 1.18 19 0 "[ . 1 . 2 ]"
35 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 GLY N 100.00 160.00 100.15 99.41 109.05 0.59 18 0 "[ . 1 . 2 ]"
36 . 1 88 GLY C 1 89 ASN N 1 89 ASN CA 1 89 ASN C -120.00 -80.00 -120.98 -121.25 -122.14 2.14 1 0 "[ . 1 . 2 ]"
37 . 1 89 ASN N 1 89 ASN CA 1 89 ASN C 1 90 THR N -20.00 20.00 -6.80 -10.18 -17.38 . . 0 "[ . 1 . 2 ]"
38 . 1 89 ASN C 1 90 THR N 1 90 THR CA 1 90 THR C -110.00 -50.00 -110.35 -110.35 -110.38 0.57 20 0 "[ . 1 . 2 ]"
39 . 1 90 THR N 1 90 THR CA 1 90 THR C 1 91 THR N 90.00 150.00 150.86 150.42 151.57 1.57 20 0 "[ . 1 . 2 ]"
40 . 1 90 THR C 1 91 THR N 1 91 THR CA 1 91 THR C -110.00 -50.00 -75.14 -79.33 -71.04 . . 0 "[ . 1 . 2 ]"
41 . 1 91 THR N 1 91 THR CA 1 91 THR C 1 92 LEU N 110.00 150.00 124.88 120.82 112.63 . . 0 "[ . 1 . 2 ]"
42 . 1 91 THR C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -110.00 -70.00 -109.06 -110.85 -92.16 0.85 15 0 "[ . 1 . 2 ]"
43 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 PHE N -60.00 -20.00 -21.81 -30.15 -19.54 0.46 20 0 "[ . 1 . 2 ]"
44 . 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 TRP N 115.00 165.00 115.11 114.29 123.62 0.71 9 0 "[ . 1 . 2 ]"
45 . 1 99 PHE C 1 100 TRP N 1 100 TRP CA 1 100 TRP C -100.00 -70.00 -94.67 -91.72 -92.30 0.25 13 0 "[ . 1 . 2 ]"
46 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 ASP N -40.00 0.00 -22.05 -19.36 -20.40 . . 0 "[ . 1 . 2 ]"
47 . 1 103 ILE C 1 104 ASP N 1 104 ASP CA 1 104 ASP C -130.00 -70.00 -103.85 -111.15 -99.29 . . 0 "[ . 1 . 2 ]"
48 . 1 104 ASP N 1 104 ASP CA 1 104 ASP C 1 105 MET N -50.00 30.00 -51.60 -51.98 -50.46 1.98 3 0 "[ . 1 . 2 ]"
49 . 1 105 MET C 1 106 SER N 1 106 SER CA 1 106 SER C -120.00 -80.00 -95.63 -88.39 -90.07 0.18 21 0 "[ . 1 . 2 ]"
50 . 1 106 SER N 1 106 SER CA 1 106 SER C 1 107 PHE N 95.00 175.00 110.09 109.51 107.50 . . 0 "[ . 1 . 2 ]"
51 . 1 106 SER C 1 107 PHE N 1 107 PHE CA 1 107 PHE C -120.00 -80.00 -104.04 -97.00 -100.46 0.19 11 0 "[ . 1 . 2 ]"
52 . 1 107 PHE N 1 107 PHE CA 1 107 PHE C 1 108 GLU N 105.00 155.00 136.05 104.55 155.27 0.45 5 0 "[ . 1 . 2 ]"
53 . 1 117 PHE C 1 118 THR N 1 118 THR CA 1 118 THR C -80.00 -40.00 -41.70 -50.08 -37.21 2.79 12 0 "[ . 1 . 2 ]"
54 . 1 118 THR N 1 118 THR CA 1 118 THR C 1 119 ASN N -60.00 -20.00 -36.67 -32.76 -33.40 . . 0 "[ . 1 . 2 ]"
55 . 1 118 THR C 1 119 ASN N 1 119 ASN CA 1 119 ASN C -120.00 -80.00 -120.73 -120.93 -121.00 1.12 20 0 "[ . 1 . 2 ]"
56 . 1 119 ASN N 1 119 ASN CA 1 119 ASN C 1 120 HIS N -30.00 10.00 -5.76 -27.77 12.38 2.38 6 0 "[ . 1 . 2 ]"
57 . 1 123 VAL N 1 123 VAL CA 1 123 VAL C 1 124 MET N 110.00 140.00 125.89 126.60 120.21 0.41 11 0 "[ . 1 . 2 ]"
58 . 1 125 VAL N 1 125 VAL CA 1 125 VAL C 1 126 LYS N 115.00 145.00 115.49 113.20 145.29 1.80 4 0 "[ . 1 . 2 ]"
59 . 1 128 PRO C 1 129 SER N 1 129 SER CA 1 129 SER C -110.00 -70.00 -77.69 -90.66 -69.23 0.77 14 0 "[ . 1 . 2 ]"
60 . 1 129 SER C 1 130 ILE N 1 130 ILE CA 1 130 ILE C -140.00 -80.00 -124.73 -79.65 -119.03 1.52 2 0 "[ . 1 . 2 ]"
61 . 1 130 ILE N 1 130 ILE CA 1 130 ILE C 1 131 VAL N 110.00 170.00 141.28 150.19 147.07 . . 0 "[ . 1 . 2 ]"
62 . 1 130 ILE C 1 131 VAL N 1 131 VAL CA 1 131 VAL C -115.00 -65.00 -98.08 -115.37 -86.17 0.37 11 0 "[ . 1 . 2 ]"
63 . 1 131 VAL N 1 131 VAL CA 1 131 VAL C 1 132 GLU N 100.00 160.00 99.65 99.51 99.46 1.94 14 0 "[ . 1 . 2 ]"
64 . 1 132 GLU N 1 132 GLU CA 1 132 GLU C 1 133 GLU N -39.00 -17.00 -24.06 -23.87 -25.82 0.21 9 0 "[ . 1 . 2 ]"
65 . 1 133 GLU N 1 133 GLU CA 1 133 GLU C 1 134 GLU N -37.00 -11.00 -10.71 -13.18 -9.16 1.84 11 0 "[ . 1 . 2 ]"
66 . 1 134 GLU C 1 135 LEU N 1 135 LEU CA 1 135 LEU C -102.00 -52.00 -78.74 -51.20 -60.08 1.52 8 0 "[ . 1 . 2 ]"
67 . 1 135 LEU N 1 135 LEU CA 1 135 LEU C 1 136 GLN N 119.00 161.00 140.29 120.54 161.53 0.53 14 0 "[ . 1 . 2 ]"
68 . 1 135 LEU C 1 136 GLN N 1 136 GLN CA 1 136 GLN C -104.00 -64.00 -88.81 -101.71 -103.23 1.24 17 0 "[ . 1 . 2 ]"
69 . 1 137 PHE N 1 137 PHE CA 1 137 PHE C 1 138 ASP N 127.00 169.00 152.93 166.43 143.61 1.53 6 0 "[ . 1 . 2 ]"
70 . 1 140 SER C 1 141 LEU N 1 141 LEU CA 1 141 LEU C -130.00 -90.00 -107.25 -128.53 -88.12 1.88 3 0 "[ . 1 . 2 ]"
71 . 1 146 GLN C 1 147 SER N 1 147 SER CA 1 147 SER C -125.00 -65.00 -89.08 -88.26 -88.72 . . 0 "[ . 1 . 2 ]"
72 . 1 147 SER N 1 147 SER CA 1 147 SER C 1 148 GLU N 110.00 160.00 131.13 134.42 132.79 . . 0 "[ . 1 . 2 ]"
73 . 1 156 PRO C 1 157 GLU N 1 157 GLU CA 1 157 GLU C -120.00 -60.00 -67.37 -88.17 -59.83 0.17 7 0 "[ . 1 . 2 ]"
74 . 1 157 GLU N 1 157 GLU CA 1 157 GLU C 1 158 ILE N 100.00 160.00 110.74 113.79 112.33 0.93 7 0 "[ . 1 . 2 ]"
75 . 1 161 ASN C 1 162 MET N 1 162 MET CA 1 162 MET C -100.00 -60.00 -87.38 -100.29 -69.31 0.29 3 0 "[ . 1 . 2 ]"
76 . 1 162 MET C 1 163 SER N 1 163 SER CA 1 163 SER C -130.00 -70.00 -130.64 -130.47 -130.54 1.39 14 0 "[ . 1 . 2 ]"
77 . 1 163 SER N 1 163 SER CA 1 163 SER C 1 164 GLY N -30.00 30.00 32.10 31.96 31.88 2.98 14 0 "[ . 1 . 2 ]"
78 . 1 172 LYS C 1 173 LEU N 1 173 LEU CA 1 173 LEU C -130.00 -50.00 -129.69 -130.50 -130.55 0.87 14 0 "[ . 1 . 2 ]"
79 . 1 173 LEU N 1 173 LEU CA 1 173 LEU C 1 174 ILE N 120.00 160.00 151.46 148.75 148.56 0.60 17 0 "[ . 1 . 2 ]"
80 . 1 173 LEU C 1 174 ILE N 1 174 ILE CA 1 174 ILE C -140.00 -80.00 -93.10 -79.96 -80.18 0.27 4 0 "[ . 1 . 2 ]"
81 . 1 174 ILE N 1 174 ILE CA 1 174 ILE C 1 175 PRO N 70.00 150.00 145.48 137.89 150.44 0.44 17 0 "[ . 1 . 2 ]"
82 . 1 177 THR C 1 178 ASN N 1 178 ASN CA 1 178 ASN C -130.00 -70.00 -74.75 -79.01 -69.24 0.76 13 0 "[ . 1 . 2 ]"
83 . 1 178 ASN N 1 178 ASN CA 1 178 ASN C 1 179 TYR N 110.00 150.00 110.85 110.90 109.80 1.16 17 0 "[ . 1 . 2 ]"
84 . 1 184 TYR N 1 184 TYR CA 1 184 TYR C 1 185 LEU N 135.00 165.00 151.66 139.57 165.44 0.44 22 0 "[ . 1 . 2 ]"
85 . 1 192 ALA C 1 193 VAL N 1 193 VAL CA 1 193 VAL C -140.00 -90.00 -89.36 -89.41 -89.44 1.06 21 0 "[ . 1 . 2 ]"
86 . 1 194 ILE C 1 195 LYS N 1 195 LYS CA 1 195 LYS C -150.00 -70.00 -71.11 -78.64 -69.38 0.62 17 0 "[ . 1 . 2 ]"
87 . 1 200 CYS C 1 201 THR N 1 201 THR CA 1 201 THR C -110.00 -60.00 -94.16 -92.08 -92.49 . . 0 "[ . 1 . 2 ]"
88 . 1 201 THR N 1 201 THR CA 1 201 THR C 1 202 LEU N 100.00 160.00 123.44 105.93 155.79 . . 0 "[ . 1 . 2 ]"
89 . 1 201 THR C 1 202 LEU N 1 202 LEU CA 1 202 LEU C -125.00 -75.00 -92.56 -126.60 -74.60 1.60 5 0 "[ . 1 . 2 ]"
90 . 1 202 LEU N 1 202 LEU CA 1 202 LEU C 1 203 LEU N 130.00 170.00 163.57 157.19 170.39 0.39 20 0 "[ . 1 . 2 ]"
91 . 1 202 LEU C 1 202 LEU N 1 203 LEU CA 1 203 LEU C -105.00 -55.00 -19.48 -8.64 -9.95 48.28 12 22 [***********+*******-**]
92 . 1 203 LEU N 1 203 LEU CA 1 203 LEU C 1 204 PRO N 105.00 155.00 157.69 155.46 159.75 4.75 11 0 "[ . 1 . 2 ]"
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