NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
376780 |
1fpw   |
4798 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1fpw
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 204
_TA_constraint_stats_list.Viol_count 253
_TA_constraint_stats_list.Viol_total 8683.40
_TA_constraint_stats_list.Viol_max 10.85
_TA_constraint_stats_list.Viol_rms 0.65
_TA_constraint_stats_list.Viol_average_all_restraints 0.11
_TA_constraint_stats_list.Viol_average_violations_only 1.72
_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 10 LYS C 1 11 ASP N 1 11 ASP CA 1 11 ASP C -90.00 -30.00 -62.85 -56.15 -58.12 . . 0 "[ . 1 . 2]"
2 . 1 11 ASP C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -90.00 -30.00 -64.82 -54.15 -58.40 . . 0 "[ . 1 . 2]"
3 . 1 12 ASP C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -90.00 -30.00 -58.11 -72.74 -42.37 . . 0 "[ . 1 . 2]"
4 . 1 13 LEU C 1 14 THR N 1 14 THR CA 1 14 THR C -90.00 -30.00 -61.85 -83.52 -43.01 . . 0 "[ . 1 . 2]"
5 . 1 14 THR C 1 15 CYS N 1 15 CYS CA 1 15 CYS C -90.00 -30.00 -70.84 -85.89 -89.63 . . 0 "[ . 1 . 2]"
6 . 1 15 CYS C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -110.00 -10.00 -77.95 -106.17 -45.55 . . 0 "[ . 1 . 2]"
7 . 1 24 ARG C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -110.00 -10.00 -66.39 -103.80 -39.52 . . 0 "[ . 1 . 2]"
8 . 1 25 ARG C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -90.00 -30.00 -85.73 -89.74 -90.15 0.72 1 0 "[ . 1 . 2]"
9 . 1 26 GLU C 1 27 ILE N 1 27 ILE CA 1 27 ILE C -90.00 -30.00 -51.32 -71.77 -40.85 . . 0 "[ . 1 . 2]"
10 . 1 27 ILE C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -90.00 -30.00 -73.19 -67.92 -69.29 . . 0 "[ . 1 . 2]"
11 . 1 28 GLN C 1 29 GLN N 1 29 GLN CA 1 29 GLN C -90.00 -30.00 -65.25 -75.68 -53.66 . . 0 "[ . 1 . 2]"
12 . 1 29 GLN C 1 30 TRP N 1 30 TRP CA 1 30 TRP C -90.00 -30.00 -66.19 -75.06 -56.38 . . 0 "[ . 1 . 2]"
13 . 1 30 TRP C 1 31 HIS N 1 31 HIS CA 1 31 HIS C -90.00 -30.00 -52.17 -76.40 -40.29 . . 0 "[ . 1 . 2]"
14 . 1 31 HIS C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -90.00 -30.00 -61.81 -59.76 -63.32 . . 0 "[ . 1 . 2]"
15 . 1 32 LYS C 1 33 GLY N 1 33 GLY CA 1 33 GLY C -90.00 -30.00 -76.08 -81.52 -70.29 . . 0 "[ . 1 . 2]"
16 . 1 33 GLY C 1 34 PHE N 1 34 PHE CA 1 34 PHE C -90.00 -30.00 -68.97 -70.84 -72.08 . . 0 "[ . 1 . 2]"
17 . 1 34 PHE C 1 35 LEU N 1 35 LEU CA 1 35 LEU C -90.00 -30.00 -67.50 -65.39 -66.48 . . 0 "[ . 1 . 2]"
18 . 1 41 GLY C 1 42 GLN N 1 42 GLN CA 1 42 GLN C -150.00 -90.00 -142.81 -150.59 -94.51 0.59 2 0 "[ . 1 . 2]"
19 . 1 42 GLN C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -150.00 -90.00 -108.11 -140.23 -89.34 0.66 15 0 "[ . 1 . 2]"
20 . 1 43 LEU C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -150.00 -90.00 -89.58 -90.84 -88.91 1.09 17 0 "[ . 1 . 2]"
21 . 1 44 ALA C 1 45 ARG N 1 45 ARG CA 1 45 ARG C -90.00 -30.00 -44.52 -53.92 -39.47 . . 0 "[ . 1 . 2]"
22 . 1 45 ARG C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -90.00 -30.00 -53.06 -63.94 -43.75 . . 0 "[ . 1 . 2]"
23 . 1 46 GLU C 1 47 ASP N 1 47 ASP CA 1 47 ASP C -90.00 -30.00 -66.23 -82.28 -47.64 . . 0 "[ . 1 . 2]"
24 . 1 47 ASP C 1 48 PHE N 1 48 PHE CA 1 48 PHE C -90.00 -30.00 -39.77 -45.36 -36.63 . . 0 "[ . 1 . 2]"
25 . 1 48 PHE C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -90.00 -30.00 -65.15 -77.16 -54.69 . . 0 "[ . 1 . 2]"
26 . 1 49 VAL C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -90.00 -30.00 -48.50 -66.73 -42.91 . . 0 "[ . 1 . 2]"
27 . 1 50 LYS C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -90.00 -30.00 -56.69 -63.71 -65.35 . . 0 "[ . 1 . 2]"
28 . 1 51 ILE C 1 52 TYR N 1 52 TYR CA 1 52 TYR C -90.00 -30.00 -58.42 -58.44 -62.46 . . 0 "[ . 1 . 2]"
29 . 1 52 TYR C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -90.00 -30.00 -60.74 -50.73 -55.84 . . 0 "[ . 1 . 2]"
30 . 1 53 LYS C 1 54 GLN N 1 54 GLN CA 1 54 GLN C -90.00 -30.00 -62.25 -80.68 -48.42 . . 0 "[ . 1 . 2]"
31 . 1 54 GLN C 1 55 PHE N 1 55 PHE CA 1 55 PHE C -110.00 -10.00 -80.81 -94.34 -56.42 . . 0 "[ . 1 . 2]"
32 . 1 61 PRO C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -110.00 -10.00 -55.59 -69.58 -107.49 . . 0 "[ . 1 . 2]"
33 . 1 62 GLU C 1 63 ASP N 1 63 ASP CA 1 63 ASP C -90.00 -30.00 -55.50 -70.47 -43.40 . . 0 "[ . 1 . 2]"
34 . 1 63 ASP C 1 64 PHE N 1 64 PHE CA 1 64 PHE C -90.00 -30.00 -57.20 -61.62 -62.29 . . 0 "[ . 1 . 2]"
35 . 1 64 PHE C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -90.00 -30.00 -55.05 -72.44 -43.11 . . 0 "[ . 1 . 2]"
36 . 1 65 ALA C 1 66 ASN N 1 66 ASN CA 1 66 ASN C -110.00 -10.00 -76.14 -66.59 -71.34 . . 0 "[ . 1 . 2]"
37 . 1 66 ASN C 1 67 HIS N 1 67 HIS CA 1 67 HIS C -90.00 -30.00 -53.27 -40.98 -42.41 . . 0 "[ . 1 . 2]"
38 . 1 67 HIS C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -90.00 -30.00 -61.57 -33.82 -47.01 . . 0 "[ . 1 . 2]"
39 . 1 68 LEU C 1 69 PHE N 1 69 PHE CA 1 69 PHE C -90.00 -30.00 -41.58 -41.61 -42.13 . . 0 "[ . 1 . 2]"
40 . 1 69 PHE C 1 70 THR N 1 70 THR CA 1 70 THR C -90.00 -30.00 -67.83 -90.31 -38.36 0.31 19 0 "[ . 1 . 2]"
41 . 1 78 GLY C 1 79 PHE N 1 79 PHE CA 1 79 PHE C -150.00 -90.00 -140.87 -149.88 -122.25 . . 0 "[ . 1 . 2]"
42 . 1 79 PHE C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -150.00 -90.00 -104.37 -97.10 -97.84 . . 0 "[ . 1 . 2]"
43 . 1 80 ILE C 1 81 HIS N 1 81 HIS CA 1 81 HIS C -150.00 -90.00 -90.12 -89.56 -89.62 1.30 3 0 "[ . 1 . 2]"
44 . 1 81 HIS C 1 82 PHE N 1 82 PHE CA 1 82 PHE C -90.00 -30.00 -41.21 -49.77 -32.05 . . 0 "[ . 1 . 2]"
45 . 1 82 PHE C 1 83 GLU N 1 83 GLU CA 1 83 GLU C -90.00 -30.00 -50.94 -48.03 -49.16 . . 0 "[ . 1 . 2]"
46 . 1 83 GLU C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -90.00 -30.00 -64.63 -75.36 -50.85 . . 0 "[ . 1 . 2]"
47 . 1 84 GLU C 1 85 PHE N 1 85 PHE CA 1 85 PHE C -90.00 -30.00 -59.52 -49.83 -51.93 . . 0 "[ . 1 . 2]"
48 . 1 85 PHE C 1 86 ILE N 1 86 ILE CA 1 86 ILE C -90.00 -30.00 -55.04 -60.91 -61.33 . . 0 "[ . 1 . 2]"
49 . 1 86 ILE C 1 87 THR N 1 87 THR CA 1 87 THR C -90.00 -30.00 -52.58 -47.49 -48.11 . . 0 "[ . 1 . 2]"
50 . 1 87 THR C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -90.00 -30.00 -60.12 -66.20 -67.79 . . 0 "[ . 1 . 2]"
51 . 1 88 VAL C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -90.00 -30.00 -52.43 -47.20 -49.95 . . 0 "[ . 1 . 2]"
52 . 1 98 GLU C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -110.00 -10.00 -49.73 -60.47 -42.45 . . 0 "[ . 1 . 2]"
53 . 1 99 GLU C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -90.00 -30.00 -62.12 -58.21 -61.85 . . 0 "[ . 1 . 2]"
54 . 1 100 LYS C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -90.00 -30.00 -57.79 -63.97 -69.98 . . 0 "[ . 1 . 2]"
55 . 1 101 LEU C 1 102 SER N 1 102 SER CA 1 102 SER C -90.00 -30.00 -57.96 -67.81 -49.02 . . 0 "[ . 1 . 2]"
56 . 1 102 SER C 1 103 TRP N 1 103 TRP CA 1 103 TRP C -90.00 -30.00 -57.03 -72.29 -44.44 . . 0 "[ . 1 . 2]"
57 . 1 103 TRP C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -90.00 -30.00 -55.31 -66.99 -44.51 . . 0 "[ . 1 . 2]"
58 . 1 104 ALA C 1 105 PHE N 1 105 PHE CA 1 105 PHE C -90.00 -30.00 -52.91 -47.78 -49.99 . . 0 "[ . 1 . 2]"
59 . 1 105 PHE C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -90.00 -30.00 -53.60 -67.79 -43.67 . . 0 "[ . 1 . 2]"
60 . 1 106 GLU C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -90.00 -30.00 -60.71 -81.73 -42.43 . . 0 "[ . 1 . 2]"
61 . 1 107 LEU C 1 108 TYR N 1 108 TYR CA 1 108 TYR C -90.00 -30.00 -68.03 -87.41 -44.80 . . 0 "[ . 1 . 2]"
62 . 1 114 GLY C 1 115 TYR N 1 115 TYR CA 1 115 TYR C -150.00 -90.00 -126.26 -127.05 -128.10 . . 0 "[ . 1 . 2]"
63 . 1 115 TYR C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -150.00 -90.00 -88.05 -90.00 -85.73 4.27 8 0 "[ . 1 . 2]"
64 . 1 116 ILE C 1 117 THR N 1 117 THR CA 1 117 THR C -150.00 -90.00 -141.33 -150.56 -133.58 0.56 5 0 "[ . 1 . 2]"
65 . 1 117 THR C 1 118 PHE N 1 118 PHE CA 1 118 PHE C -90.00 -30.00 -44.59 -51.54 -33.26 . . 0 "[ . 1 . 2]"
66 . 1 118 PHE C 1 119 ASP N 1 119 ASP CA 1 119 ASP C -90.00 -30.00 -53.98 -54.38 -59.52 . . 0 "[ . 1 . 2]"
67 . 1 119 ASP C 1 120 GLU N 1 120 GLU CA 1 120 GLU C -90.00 -30.00 -53.21 -60.74 -68.20 . . 0 "[ . 1 . 2]"
68 . 1 120 GLU C 1 121 MET N 1 121 MET CA 1 121 MET C -110.00 -10.00 -54.88 -65.78 -70.62 . . 0 "[ . 1 . 2]"
69 . 1 121 MET C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -90.00 -30.00 -46.23 -42.31 -44.14 . . 0 "[ . 1 . 2]"
70 . 1 122 LEU C 1 123 THR N 1 123 THR CA 1 123 THR C -90.00 -30.00 -57.41 -48.17 -50.98 . . 0 "[ . 1 . 2]"
71 . 1 123 THR C 1 124 ILE N 1 124 ILE CA 1 124 ILE C -110.00 -10.00 -62.67 -65.57 -67.76 . . 0 "[ . 1 . 2]"
72 . 1 124 ILE C 1 125 VAL N 1 125 VAL CA 1 125 VAL C -90.00 -30.00 -48.53 -61.71 -41.93 . . 0 "[ . 1 . 2]"
73 . 1 125 VAL C 1 126 ALA N 1 126 ALA CA 1 126 ALA C -90.00 -30.00 -63.75 -65.94 -67.27 . . 0 "[ . 1 . 2]"
74 . 1 126 ALA C 1 127 SER N 1 127 SER CA 1 127 SER C -90.00 -30.00 -67.92 -78.72 -55.82 . . 0 "[ . 1 . 2]"
75 . 1 127 SER C 1 128 VAL N 1 128 VAL CA 1 128 VAL C -90.00 -30.00 -66.06 -65.43 -66.15 0.16 12 0 "[ . 1 . 2]"
76 . 1 128 VAL C 1 129 TYR N 1 129 TYR CA 1 129 TYR C -90.00 -30.00 -76.45 -90.98 -62.66 0.98 8 0 "[ . 1 . 2]"
77 . 1 129 TYR C 1 130 LYS N 1 130 LYS CA 1 130 LYS C -90.00 -30.00 -78.25 -90.84 -57.69 0.84 8 0 "[ . 1 . 2]"
78 . 1 145 PRO C 1 146 GLU N 1 146 GLU CA 1 146 GLU C -90.00 -30.00 -58.58 -75.59 -47.40 . . 0 "[ . 1 . 2]"
79 . 1 146 GLU C 1 147 MET N 1 147 MET CA 1 147 MET C -90.00 -30.00 -65.27 -67.45 -71.01 . . 0 "[ . 1 . 2]"
80 . 1 147 MET C 1 148 ARG N 1 148 ARG CA 1 148 ARG C -90.00 -30.00 -58.93 -57.99 -58.21 . . 0 "[ . 1 . 2]"
81 . 1 148 ARG C 1 149 VAL N 1 149 VAL CA 1 149 VAL C -90.00 -30.00 -61.90 -67.08 -68.92 . . 0 "[ . 1 . 2]"
82 . 1 149 VAL C 1 150 LYS N 1 150 LYS CA 1 150 LYS C -90.00 -30.00 -62.44 -71.59 -52.68 . . 0 "[ . 1 . 2]"
83 . 1 150 LYS C 1 151 LYS N 1 151 LYS CA 1 151 LYS C -90.00 -30.00 -72.83 -79.02 -80.97 . . 0 "[ . 1 . 2]"
84 . 1 151 LYS C 1 152 ILE N 1 152 ILE CA 1 152 ILE C -90.00 -30.00 -57.87 -43.77 -49.30 . . 0 "[ . 1 . 2]"
85 . 1 152 ILE C 1 153 PHE N 1 153 PHE CA 1 153 PHE C -90.00 -30.00 -58.78 -68.89 -72.26 . . 0 "[ . 1 . 2]"
86 . 1 153 PHE C 1 154 LYS N 1 154 LYS CA 1 154 LYS C -90.00 -30.00 -54.45 -48.92 -52.17 . . 0 "[ . 1 . 2]"
87 . 1 154 LYS C 1 155 LEU N 1 155 LEU CA 1 155 LEU C -110.00 -10.00 -82.73 -105.83 -52.04 . . 0 "[ . 1 . 2]"
88 . 1 162 GLY C 1 163 TYR N 1 163 TYR CA 1 163 TYR C -150.00 -90.00 -125.46 -150.34 -89.11 0.89 19 0 "[ . 1 . 2]"
89 . 1 163 TYR C 1 164 ILE N 1 164 ILE CA 1 164 ILE C -150.00 -90.00 -104.62 -135.96 -88.31 1.69 15 0 "[ . 1 . 2]"
90 . 1 164 ILE C 1 165 THR N 1 165 THR CA 1 165 THR C -170.00 -70.00 -114.32 -144.19 -92.12 . . 0 "[ . 1 . 2]"
91 . 1 165 THR C 1 166 LEU N 1 166 LEU CA 1 166 LEU C -90.00 -30.00 -51.94 -49.04 -49.34 . . 0 "[ . 1 . 2]"
92 . 1 166 LEU C 1 167 ASP N 1 167 ASP CA 1 167 ASP C -90.00 -30.00 -48.29 -78.52 -35.66 . . 0 "[ . 1 . 2]"
93 . 1 167 ASP C 1 168 GLU N 1 168 GLU CA 1 168 GLU C -90.00 -30.00 -64.80 -60.95 -61.29 . . 0 "[ . 1 . 2]"
94 . 1 168 GLU C 1 169 PHE N 1 169 PHE CA 1 169 PHE C -110.00 -10.00 -69.59 -79.96 -56.62 . . 0 "[ . 1 . 2]"
95 . 1 169 PHE C 1 170 ARG N 1 170 ARG CA 1 170 ARG C -110.00 -10.00 -61.65 -48.66 -54.27 . . 0 "[ . 1 . 2]"
96 . 1 170 ARG C 1 171 GLU N 1 171 GLU CA 1 171 GLU C -90.00 -30.00 -62.30 -78.19 -46.63 . . 0 "[ . 1 . 2]"
97 . 1 171 GLU C 1 172 GLY N 1 172 GLY CA 1 172 GLY C -90.00 -30.00 -65.44 -78.73 -49.31 . . 0 "[ . 1 . 2]"
98 . 1 172 GLY C 1 173 SER N 1 173 SER CA 1 173 SER C -110.00 -10.00 -68.12 -54.27 -57.98 . . 0 "[ . 1 . 2]"
99 . 1 173 SER C 1 174 LYS N 1 174 LYS CA 1 174 LYS C -110.00 -10.00 -64.78 -91.26 -42.34 . . 0 "[ . 1 . 2]"
100 . 1 174 LYS C 1 175 VAL N 1 175 VAL CA 1 175 VAL C -90.00 -30.00 -76.79 -90.74 -52.34 0.74 2 0 "[ . 1 . 2]"
101 . 1 178 SER C 1 179 ILE N 1 179 ILE CA 1 179 ILE C -90.00 -30.00 -62.88 -54.13 -62.47 0.46 8 0 "[ . 1 . 2]"
102 . 1 179 ILE C 1 180 ILE N 1 180 ILE CA 1 180 ILE C -90.00 -30.00 -57.94 -74.88 -32.34 . . 0 "[ . 1 . 2]"
103 . 1 180 ILE C 1 181 GLY N 1 181 GLY CA 1 181 GLY C -90.00 -30.00 -46.48 -42.79 -49.76 . . 0 "[ . 1 . 2]"
104 . 1 181 GLY C 1 182 ALA N 1 182 ALA CA 1 182 ALA C -90.00 -30.00 -66.14 -79.15 -52.21 . . 0 "[ . 1 . 2]"
105 . 1 182 ALA C 1 183 LEU N 1 183 LEU CA 1 183 LEU C -90.00 -30.00 -44.58 -45.11 -46.16 0.95 11 0 "[ . 1 . 2]"
106 . 1 183 LEU C 1 184 ASN N 1 184 ASN CA 1 184 ASN C -90.00 -30.00 -73.97 -92.01 -45.32 2.01 10 0 "[ . 1 . 2]"
107 . 1 184 ASN C 1 185 LEU N 1 185 LEU CA 1 185 LEU C -90.00 -30.00 -69.47 -98.57 -44.77 8.57 11 5 "[ * . - 1+ .** 2]"
108 . 1 185 LEU C 1 186 TYR N 1 186 TYR CA 1 186 TYR C -90.00 -30.00 -61.08 -68.67 -72.24 2.85 12 0 "[ . 1 . 2]"
109 . 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 GLU N -90.00 10.00 -25.52 -25.07 -27.41 . . 0 "[ . 1 . 2]"
110 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 ILE N -70.00 -10.00 -58.62 -67.56 -70.55 0.91 10 0 "[ . 1 . 2]"
111 . 1 27 ILE N 1 27 ILE CA 1 27 ILE C 1 28 GLN N -70.00 -10.00 -25.30 -27.30 -29.20 . . 0 "[ . 1 . 2]"
112 . 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 GLN N -70.00 -10.00 -38.09 -58.28 -25.49 . . 0 "[ . 1 . 2]"
113 . 1 29 GLN N 1 29 GLN CA 1 29 GLN C 1 30 TRP N -70.00 -10.00 -48.87 -50.05 -50.43 . . 0 "[ . 1 . 2]"
114 . 1 30 TRP N 1 30 TRP CA 1 30 TRP C 1 21 TYR N -70.00 -10.00 -75.44 -80.85 -71.82 10.85 17 10 "[-** * * **** . + 2]"
115 . 1 31 HIS N 1 31 HIS CA 1 31 HIS C 1 32 LYS N -70.00 -10.00 -60.78 -61.78 -65.01 0.08 19 0 "[ . 1 . 2]"
116 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 GLY N -70.00 -10.00 -29.92 -28.99 -30.64 . . 0 "[ . 1 . 2]"
117 . 1 33 GLY N 1 33 GLY CA 1 33 GLY C 1 34 PHE N -70.00 -10.00 -32.98 -30.13 -32.80 . . 0 "[ . 1 . 2]"
118 . 1 34 PHE N 1 34 PHE CA 1 34 PHE C 1 35 LEU N -70.00 -10.00 -43.49 -52.70 -35.62 . . 0 "[ . 1 . 2]"
119 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 ARG N -90.00 10.00 -34.65 -45.72 -20.37 . . 0 "[ . 1 . 2]"
120 . 1 42 GLN N 1 42 GLN CA 1 42 GLN C 1 43 LEU N 100.00 160.00 131.77 136.49 132.12 . . 0 "[ . 1 . 2]"
121 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 ALA N 100.00 160.00 115.16 129.10 124.52 . . 0 "[ . 1 . 2]"
122 . 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 ARG N 100.00 160.00 156.16 148.84 160.77 0.77 6 0 "[ . 1 . 2]"
123 . 1 45 ARG N 1 45 ARG CA 1 45 ARG C 1 46 GLU N -90.00 10.00 -39.33 -38.24 -41.71 . . 0 "[ . 1 . 2]"
124 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 ASP N -70.00 -10.00 -48.77 -54.85 -57.90 . . 0 "[ . 1 . 2]"
125 . 1 47 ASP N 1 47 ASP CA 1 47 ASP C 1 48 PHE N -70.00 -10.00 -55.20 -63.02 -46.13 . . 0 "[ . 1 . 2]"
126 . 1 48 PHE N 1 48 PHE CA 1 48 PHE C 1 49 VAL N -70.00 -10.00 -53.40 -46.83 -53.84 . . 0 "[ . 1 . 2]"
127 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 LYS N -70.00 -10.00 -49.95 -59.82 -39.81 . . 0 "[ . 1 . 2]"
128 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 ILE N -90.00 10.00 -47.49 -37.02 -41.67 . . 0 "[ . 1 . 2]"
129 . 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 TYR N -90.00 10.00 -50.96 -64.10 -43.45 . . 0 "[ . 1 . 2]"
130 . 1 52 TYR N 1 52 TYR CA 1 52 TYR C 1 53 LYS N -70.00 -10.00 -42.63 -58.61 -31.09 . . 0 "[ . 1 . 2]"
131 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 GLN N -70.00 -10.00 -43.84 -58.20 -63.34 . . 0 "[ . 1 . 2]"
132 . 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 PHE N -70.00 -10.00 -31.62 -28.73 -31.26 . . 0 "[ . 1 . 2]"
133 . 1 55 PHE N 1 55 PHE CA 1 55 PHE C 1 56 PHE N -90.00 10.00 -22.11 -27.67 -28.90 . . 0 "[ . 1 . 2]"
134 . 1 63 ASP N 1 63 ASP CA 1 63 ASP C 1 64 PHE N -70.00 -10.00 -42.97 -56.29 -21.07 . . 0 "[ . 1 . 2]"
135 . 1 64 PHE N 1 64 PHE CA 1 64 PHE C 1 65 ALA N -70.00 -10.00 -59.29 -50.99 -53.97 . . 0 "[ . 1 . 2]"
136 . 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 ASN N -70.00 -10.00 -27.23 -35.53 -18.46 . . 0 "[ . 1 . 2]"
137 . 1 66 ASN N 1 66 ASN CA 1 66 ASN C 1 67 HIS N -70.00 -10.00 -50.17 -69.81 -31.64 . . 0 "[ . 1 . 2]"
138 . 1 67 HIS N 1 67 HIS CA 1 67 HIS C 1 68 LEU N -70.00 -10.00 -47.23 -68.43 -28.10 . . 0 "[ . 1 . 2]"
139 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 PHE N -70.00 -10.00 -62.96 -69.39 -70.11 1.18 9 0 "[ . 1 . 2]"
140 . 1 69 PHE N 1 69 PHE CA 1 69 PHE C 1 70 THR N -70.00 -10.00 -45.99 -63.74 -21.41 . . 0 "[ . 1 . 2]"
141 . 1 70 THR N 1 70 THR CA 1 70 THR C 1 71 VAL N -70.00 -10.00 -51.80 -49.90 -51.49 . . 0 "[ . 1 . 2]"
142 . 1 79 PHE N 1 79 PHE CA 1 79 PHE C 1 80 ILE N 100.00 160.00 151.58 146.20 141.14 1.23 17 0 "[ . 1 . 2]"
143 . 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 HIS N 100.00 160.00 134.94 113.90 155.09 . . 0 "[ . 1 . 2]"
144 . 1 81 HIS N 1 81 HIS CA 1 81 HIS C 1 82 PHE N 100.00 160.00 159.82 150.43 161.44 1.44 4 0 "[ . 1 . 2]"
145 . 1 82 PHE N 1 82 PHE CA 1 82 PHE C 1 83 GLU N -70.00 -10.00 -61.85 -70.31 -70.95 2.32 8 0 "[ . 1 . 2]"
146 . 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 GLU N -70.00 -10.00 -43.79 -37.75 -37.77 . . 0 "[ . 1 . 2]"
147 . 1 84 GLU N 1 84 GLU CA 1 84 GLU C 1 85 PHE N -70.00 -10.00 -38.46 -66.63 -20.35 . . 0 "[ . 1 . 2]"
148 . 1 85 PHE N 1 85 PHE CA 1 85 PHE C 1 86 ILE N -70.00 -10.00 -61.33 -53.82 -56.29 0.51 3 0 "[ . 1 . 2]"
149 . 1 86 ILE N 1 86 ILE CA 1 86 ILE C 1 87 THR N -70.00 -10.00 -34.55 -47.23 -18.85 . . 0 "[ . 1 . 2]"
150 . 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 VAL N -70.00 -10.00 -48.09 -56.10 -39.55 . . 0 "[ . 1 . 2]"
151 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 LEU N -70.00 -10.00 -48.74 -59.53 -35.08 . . 0 "[ . 1 . 2]"
152 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 SER N -70.00 -10.00 -38.80 -36.13 -37.82 . . 0 "[ . 1 . 2]"
153 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 LEU N -90.00 10.00 -42.46 -64.87 -28.91 . . 0 "[ . 1 . 2]"
154 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 SER N -70.00 -10.00 -53.44 -70.42 -35.92 0.42 17 0 "[ . 1 . 2]"
155 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 TRP N -70.00 -10.00 -44.98 -40.32 -45.21 . . 0 "[ . 1 . 2]"
156 . 1 103 TRP N 1 103 TRP CA 1 103 TRP C 1 104 ALA N -70.00 -10.00 -44.57 -49.21 -51.51 . . 0 "[ . 1 . 2]"
157 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 PHE N -70.00 -10.00 -48.12 -47.06 -49.17 . . 0 "[ . 1 . 2]"
158 . 1 105 PHE N 1 105 PHE CA 1 105 PHE C 1 106 GLU N -70.00 -10.00 -51.85 -54.76 -57.08 0.45 11 0 "[ . 1 . 2]"
159 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 LEU N -70.00 -10.00 -42.93 -28.23 -34.25 . . 0 "[ . 1 . 2]"
160 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 TYR N -70.00 -10.00 -45.14 -36.24 -38.70 . . 0 "[ . 1 . 2]"
161 . 1 115 TYR N 1 115 TYR CA 1 115 TYR C 1 116 ILE N 100.00 160.00 138.32 141.71 140.08 . . 0 "[ . 1 . 2]"
162 . 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 THR N 100.00 160.00 164.16 162.21 166.58 6.58 14 4 "[ * 1 +. *- 2]"
163 . 1 117 THR N 1 117 THR CA 1 117 THR C 1 118 PHE N 100.00 160.00 154.13 148.37 144.89 1.62 12 0 "[ . 1 . 2]"
164 . 1 118 PHE N 1 118 PHE CA 1 118 PHE C 1 119 ASP N -70.00 -10.00 -46.84 -65.55 -15.57 . . 0 "[ . 1 . 2]"
165 . 1 119 ASP N 1 119 ASP CA 1 119 ASP C 1 120 GLU N -70.00 -10.00 -59.85 -71.30 -44.08 1.30 3 0 "[ . 1 . 2]"
166 . 1 120 GLU N 1 120 GLU CA 1 120 GLU C 1 121 MET N -70.00 -10.00 -48.30 -70.57 -23.25 0.57 14 0 "[ . 1 . 2]"
167 . 1 121 MET N 1 121 MET CA 1 121 MET C 1 122 LEU N -90.00 10.00 -59.24 -78.50 -39.85 . . 0 "[ . 1 . 2]"
168 . 1 122 LEU N 1 122 LEU CA 1 122 LEU C 1 123 THR N -70.00 -10.00 -43.48 -60.51 -28.03 . . 0 "[ . 1 . 2]"
169 . 1 123 THR N 1 123 THR CA 1 123 THR C 1 124 ILE N -70.00 -10.00 -58.23 -70.42 -45.63 0.42 20 0 "[ . 1 . 2]"
170 . 1 124 ILE N 1 124 ILE CA 1 124 ILE C 1 125 VAL N -90.00 10.00 -52.61 -53.84 -55.64 . . 0 "[ . 1 . 2]"
171 . 1 125 VAL N 1 125 VAL CA 1 125 VAL C 1 126 ALA N -70.00 -10.00 -42.81 -61.69 -26.05 . . 0 "[ . 1 . 2]"
172 . 1 126 ALA N 1 126 ALA CA 1 126 ALA C 1 127 SER N -70.00 -10.00 -29.98 -31.10 -33.15 . . 0 "[ . 1 . 2]"
173 . 1 127 SER N 1 127 SER CA 1 127 SER C 1 128 VAL N -70.00 -10.00 -46.85 -67.39 -26.54 . . 0 "[ . 1 . 2]"
174 . 1 128 VAL N 1 128 VAL CA 1 128 VAL C 1 129 TYR N -70.00 -10.00 -27.76 -29.34 -31.70 . . 0 "[ . 1 . 2]"
175 . 1 129 TYR N 1 129 TYR CA 1 129 TYR C 1 130 LYS N -70.00 -10.00 -36.68 -47.49 -48.00 . . 0 "[ . 1 . 2]"
176 . 1 146 GLU N 1 146 GLU CA 1 146 GLU C 1 147 MET N -90.00 10.00 -42.07 -69.86 -27.31 . . 0 "[ . 1 . 2]"
177 . 1 147 MET N 1 147 MET CA 1 147 MET C 1 148 ARG N -70.00 -10.00 -51.61 -56.45 -58.13 0.84 14 0 "[ . 1 . 2]"
178 . 1 148 ARG N 1 148 ARG CA 1 148 ARG C 1 149 VAL N -70.00 -10.00 -35.22 -50.17 -25.50 . . 0 "[ . 1 . 2]"
179 . 1 149 VAL N 1 149 VAL CA 1 149 VAL C 1 150 LYS N -70.00 -10.00 -42.34 -48.47 -52.04 . . 0 "[ . 1 . 2]"
180 . 1 150 LYS N 1 150 LYS CA 1 150 LYS C 1 151 LYS N -70.00 -10.00 -35.22 -48.89 -18.34 . . 0 "[ . 1 . 2]"
181 . 1 151 LYS N 1 151 LYS CA 1 151 LYS C 1 152 ILE N -70.00 -10.00 -48.63 -69.46 -31.85 . . 0 "[ . 1 . 2]"
182 . 1 152 ILE N 1 152 ILE CA 1 152 ILE C 1 153 PHE N -70.00 -10.00 -51.38 -66.90 -27.20 . . 0 "[ . 1 . 2]"
183 . 1 153 PHE N 1 153 PHE CA 1 153 PHE C 1 154 LYS N -70.00 -10.00 -47.92 -70.36 -17.79 0.36 10 0 "[ . 1 . 2]"
184 . 1 154 LYS N 1 154 LYS CA 1 154 LYS C 1 155 LEU N -70.00 -10.00 -38.07 -28.52 -30.95 . . 0 "[ . 1 . 2]"
185 . 1 155 LEU N 1 155 LEU CA 1 155 LEU C 1 156 MET N -90.00 10.00 -22.76 -63.03 10.73 0.73 20 0 "[ . 1 . 2]"
186 . 1 163 TYR N 1 163 TYR CA 1 163 TYR C 1 164 ILE N 100.00 160.00 159.60 158.66 155.83 3.16 9 0 "[ . 1 . 2]"
187 . 1 164 ILE N 1 164 ILE CA 1 164 ILE C 1 165 THR N 100.00 160.00 145.87 141.05 140.72 2.65 6 0 "[ . 1 . 2]"
188 . 1 165 THR N 1 165 THR CA 1 165 THR C 1 166 LEU N 100.00 160.00 160.54 158.61 161.73 1.73 16 0 "[ . 1 . 2]"
189 . 1 166 LEU N 1 166 LEU CA 1 166 LEU C 1 167 ASP N -70.00 -10.00 -49.97 -40.05 -48.55 1.29 3 0 "[ . 1 . 2]"
190 . 1 167 ASP N 1 167 ASP CA 1 167 ASP C 1 168 GLU N -70.00 -10.00 -49.69 -60.34 -38.87 . . 0 "[ . 1 . 2]"
191 . 1 168 GLU N 1 168 GLU CA 1 168 GLU C 1 169 PHE N -70.00 -10.00 -41.53 -32.12 -33.80 . . 0 "[ . 1 . 2]"
192 . 1 169 PHE N 1 169 PHE CA 1 169 PHE C 1 170 ARG N -70.00 -10.00 -35.30 -64.43 -14.18 . . 0 "[ . 1 . 2]"
193 . 1 170 ARG N 1 170 ARG CA 1 170 ARG C 1 171 GLU N -70.00 -10.00 -55.28 -33.30 -34.24 0.45 17 0 "[ . 1 . 2]"
194 . 1 171 GLU N 1 171 GLU CA 1 171 GLU C 1 172 GLY N -70.00 -10.00 -42.70 -59.55 -69.16 . . 0 "[ . 1 . 2]"
195 . 1 172 GLY N 1 172 GLY CA 1 172 GLY C 1 173 SER N -70.00 -10.00 -47.38 -70.06 -9.65 0.35 6 0 "[ . 1 . 2]"
196 . 1 173 SER N 1 173 SER CA 1 173 SER C 1 174 LYS N -70.00 -10.00 -36.51 -54.71 -63.46 0.02 17 0 "[ . 1 . 2]"
197 . 1 174 LYS N 1 174 LYS CA 1 174 LYS C 1 175 VAL N -70.00 -10.00 -45.17 -61.99 -31.65 . . 0 "[ . 1 . 2]"
198 . 1 179 ILE N 1 179 ILE CA 1 179 ILE C 1 180 ILE N -90.00 10.00 -28.06 -12.10 -18.70 . . 0 "[ . 1 . 2]"
199 . 1 180 ILE N 1 180 ILE CA 1 180 ILE C 1 181 GLY N -70.00 -10.00 -55.13 -71.72 -28.98 1.72 8 0 "[ . 1 . 2]"
200 . 1 181 GLY N 1 181 GLY CA 1 181 GLY C 1 182 ALA N -70.00 -10.00 -53.12 -56.97 -58.26 0.86 12 0 "[ . 1 . 2]"
201 . 1 182 ALA N 1 182 ALA CA 1 182 ALA C 1 183 LEU N -70.00 -10.00 -64.66 -71.67 -50.30 1.67 8 0 "[ . 1 . 2]"
202 . 1 183 LEU N 1 183 LEU CA 1 183 LEU C 1 184 ASN N -70.00 -10.00 -30.60 -27.65 -31.73 . . 0 "[ . 1 . 2]"
203 . 1 184 ASN N 1 184 ASN CA 1 184 ASN C 1 185 LEU N -70.00 -10.00 -52.07 -39.09 -40.29 6.76 16 3 "[ - . 1* .+ 2]"
204 . 1 185 LEU N 1 185 LEU CA 1 185 LEU C 1 186 TYR N -70.00 -10.00 -30.53 -30.83 -32.68 2.18 3 0 "[ . 1 . 2]"
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