NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
391761 |
1pfl   |
4082 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1pfl
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 200
_TA_constraint_stats_list.Viol_count 624
_TA_constraint_stats_list.Viol_total 29508.58
_TA_constraint_stats_list.Viol_max 53.92
_TA_constraint_stats_list.Viol_rms 1.96
_TA_constraint_stats_list.Viol_average_all_restraints 0.37
_TA_constraint_stats_list.Viol_average_violations_only 2.36
_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 2 GLY C 1 3 TRP N 1 3 TRP CA 1 3 TRP C -100.00 -20.00 -50.70 -49.76 -50.87 . . 0 "[ . 1 . 2]"
2 . 1 3 TRP C 1 4 ASN N 1 4 ASN CA 1 4 ASN C -100.00 -20.00 -59.65 -59.04 -59.59 . . 0 "[ . 1 . 2]"
3 . 1 4 ASN C 1 5 ALA N 1 5 ALA CA 1 5 ALA C -100.00 -20.00 -74.28 -82.31 -63.13 . . 0 "[ . 1 . 2]"
4 . 1 5 ALA C 1 6 TYR N 1 6 TYR CA 1 6 TYR C -100.00 -20.00 -73.83 -73.18 -73.70 . . 0 "[ . 1 . 2]"
5 . 1 6 TYR C 1 7 ILE N 1 7 ILE CA 1 7 ILE C -100.00 -20.00 -89.59 -91.15 -71.73 . . 0 "[ . 1 . 2]"
6 . 1 7 ILE C 1 8 ASP N 1 8 ASP CA 1 8 ASP C -100.00 -20.00 -65.21 -66.16 -67.00 . . 0 "[ . 1 . 2]"
7 . 1 8 ASP C 1 9 ASN N 1 9 ASN CA 1 9 ASN C -100.00 -20.00 -56.49 -56.10 -57.17 . . 0 "[ . 1 . 2]"
8 . 1 9 ASN C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -100.00 -20.00 -55.56 -86.45 -31.77 . . 0 "[ . 1 . 2]"
9 . 1 10 LEU C 1 11 MET N 1 11 MET CA 1 11 MET C -100.00 -20.00 -82.12 -79.58 -81.43 2.92 18 0 "[ . 1 . 2]"
10 . 1 11 MET C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -100.00 -20.00 -83.68 -84.01 -84.09 . . 0 "[ . 1 . 2]"
11 . 1 12 ALA C 1 13 ASP N 1 13 ASP CA 1 13 ASP C -100.00 -20.00 -86.53 -73.10 -82.37 1.17 3 0 "[ . 1 . 2]"
12 . 1 13 ASP C 1 14 GLY N 1 14 GLY CA 1 14 GLY C 20.00 100.00 33.08 19.37 63.82 0.63 19 0 "[ . 1 . 2]"
13 . 1 14 GLY C 1 15 THR N 1 15 THR CA 1 15 THR C -160.00 -80.00 -146.06 -149.81 -152.77 0.73 18 0 "[ . 1 . 2]"
14 . 1 15 THR C 1 16 CYS N 1 16 CYS CA 1 16 CYS C -170.00 -70.00 -75.41 -74.34 -79.65 2.61 15 0 "[ . 1 . 2]"
15 . 1 16 CYS C 1 17 GLN N 1 17 GLN CA 1 17 GLN C -170.00 -70.00 -142.93 -151.86 -88.67 . . 0 "[ . 1 . 2]"
16 . 1 18 ASP C 1 19 ALA N 1 19 ALA CA 1 19 ALA C -170.00 -70.00 -166.88 -171.97 -90.89 1.97 8 0 "[ . 1 . 2]"
17 . 1 19 ALA C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -170.00 -70.00 -141.03 -143.25 -143.99 . . 0 "[ . 1 . 2]"
18 . 1 20 ALA C 1 21 ILE N 1 21 ILE CA 1 21 ILE C -170.00 -70.00 -85.58 -91.86 -80.77 . . 0 "[ . 1 . 2]"
19 . 1 21 ILE C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -170.00 -70.00 -130.41 -145.76 -121.12 . . 0 "[ . 1 . 2]"
20 . 1 23 GLY C 1 24 TYR N 1 24 TYR CA 1 24 TYR C -100.00 -20.00 -83.25 -87.59 -76.99 . . 0 "[ . 1 . 2]"
21 . 1 26 ASP C 1 27 SER N 1 27 SER CA 1 27 SER C -170.00 -70.00 -104.79 -110.29 -98.79 . . 0 "[ . 1 . 2]"
22 . 1 29 SER C 1 30 VAL N 1 30 VAL CA 1 30 VAL C -100.00 -20.00 -91.94 -93.51 -95.54 . . 0 "[ . 1 . 2]"
23 . 1 30 VAL C 1 31 TRP N 1 31 TRP CA 1 31 TRP C -170.00 -70.00 -69.61 -70.22 -69.03 0.97 15 0 "[ . 1 . 2]"
24 . 1 33 ALA C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -100.00 -20.00 -49.62 -45.74 -47.63 . . 0 "[ . 1 . 2]"
25 . 1 36 GLY C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -170.00 -70.00 -93.14 -92.65 -95.24 . . 0 "[ . 1 . 2]"
26 . 1 38 THR C 1 39 PHE N 1 39 PHE CA 1 39 PHE C -100.00 -20.00 -60.05 -64.13 -57.40 . . 0 "[ . 1 . 2]"
27 . 1 39 PHE C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -100.00 -20.00 -57.27 -63.68 -54.20 . . 0 "[ . 1 . 2]"
28 . 1 40 VAL C 1 41 ASN N 1 41 ASN CA 1 41 ASN C -170.00 -70.00 -88.13 -93.14 -81.35 . . 0 "[ . 1 . 2]"
29 . 1 41 ASN C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -100.00 -20.00 -73.13 -70.17 -70.50 . . 0 "[ . 1 . 2]"
30 . 1 42 ILE C 1 43 THR N 1 43 THR CA 1 43 THR C -170.00 -70.00 -122.95 -158.73 -105.62 . . 0 "[ . 1 . 2]"
31 . 1 44 PRO C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -100.00 -20.00 -84.79 -88.16 -82.31 . . 0 "[ . 1 . 2]"
32 . 1 45 ALA C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -100.00 -20.00 -60.30 -59.19 -59.64 . . 0 "[ . 1 . 2]"
33 . 1 48 GLY C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -100.00 -20.00 -97.06 -100.09 -91.90 0.09 16 0 "[ . 1 . 2]"
34 . 1 49 VAL C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -100.00 -20.00 -67.05 -75.54 -59.08 . . 0 "[ . 1 . 2]"
35 . 1 50 LEU C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -170.00 -70.00 -144.53 -152.21 -131.52 . . 0 "[ . 1 . 2]"
36 . 1 52 GLY C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -100.00 -20.00 -66.69 -59.03 -61.77 . . 0 "[ . 1 . 2]"
37 . 1 53 LYS C 1 54 ASP N 1 54 ASP CA 1 54 ASP C -100.00 -20.00 -48.22 -86.09 -16.96 3.04 13 0 "[ . 1 . 2]"
38 . 1 54 ASP C 1 55 ARG N 1 55 ARG CA 1 55 ARG C -170.00 -70.00 -125.96 -171.68 -71.92 1.68 7 0 "[ . 1 . 2]"
39 . 1 56 SER C 1 57 SER N 1 57 SER CA 1 57 SER C -100.00 -20.00 -60.29 -93.83 -35.16 . . 0 "[ . 1 . 2]"
40 . 1 59 TYR C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -170.00 -70.00 -120.27 -131.56 -93.60 . . 0 "[ . 1 . 2]"
41 . 1 60 VAL C 1 61 ASN N 1 61 ASN CA 1 61 ASN C -170.00 -70.00 -88.26 -94.66 -83.21 . . 0 "[ . 1 . 2]"
42 . 1 63 LEU C 1 64 THR N 1 64 THR CA 1 64 THR C -170.00 -70.00 -160.56 -163.27 -157.47 . . 0 "[ . 1 . 2]"
43 . 1 64 THR C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -170.00 -70.00 -134.38 -135.27 -135.56 . . 0 "[ . 1 . 2]"
44 . 1 68 GLN C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -100.00 -20.00 -64.43 -66.14 -66.76 . . 0 "[ . 1 . 2]"
45 . 1 69 LYS C 1 70 CYS N 1 70 CYS CA 1 70 CYS C -170.00 -70.00 -110.00 -117.98 -99.85 . . 0 "[ . 1 . 2]"
46 . 1 70 CYS C 1 71 SER N 1 71 SER CA 1 71 SER C -170.00 -70.00 -117.31 -134.34 -140.89 . . 0 "[ . 1 . 2]"
47 . 1 71 SER C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -100.00 -20.00 -51.71 -101.36 -43.83 1.36 3 0 "[ . 1 . 2]"
48 . 1 72 VAL C 1 73 ILE N 1 73 ILE CA 1 73 ILE C -170.00 -70.00 -126.39 -132.89 -133.61 . . 0 "[ . 1 . 2]"
49 . 1 74 ARG C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -170.00 -70.00 -87.18 -69.99 -70.61 0.46 4 0 "[ . 1 . 2]"
50 . 1 75 ASP C 1 76 SER N 1 76 SER CA 1 76 SER C -170.00 -70.00 -124.47 -129.11 -131.65 . . 0 "[ . 1 . 2]"
51 . 1 76 SER C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -100.00 -20.00 -48.87 -45.19 -52.31 . . 0 "[ . 1 . 2]"
52 . 1 77 LEU C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -110.00 -50.00 -99.94 -100.26 -103.55 1.77 11 0 "[ . 1 . 2]"
53 . 1 78 LEU C 1 79 GLN N 1 79 GLN CA 1 79 GLN C -110.00 -50.00 -59.05 -47.69 -47.81 2.87 13 0 "[ . 1 . 2]"
54 . 1 79 GLN C 1 80 ASP N 1 80 ASP CA 1 80 ASP C -100.00 -20.00 -91.42 -101.18 -101.24 4.24 4 0 "[ . 1 . 2]"
55 . 1 80 ASP C 1 81 GLY N 1 81 GLY CA 1 81 GLY C 20.00 100.00 94.97 97.86 97.43 2.62 4 0 "[ . 1 . 2]"
56 . 1 81 GLY C 1 82 GLU N 1 82 GLU CA 1 82 GLU C -170.00 -70.00 -152.04 -150.71 -153.00 0.94 11 0 "[ . 1 . 2]"
57 . 1 82 GLU C 1 83 PHE N 1 83 PHE CA 1 83 PHE C 20.00 100.00 50.78 19.80 60.61 0.20 4 0 "[ . 1 . 2]"
58 . 1 84 SER C 1 85 MET N 1 85 MET CA 1 85 MET C -170.00 -70.00 -135.69 -136.83 -136.88 . . 0 "[ . 1 . 2]"
59 . 1 86 ASP C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -170.00 -70.00 -110.42 -158.68 -90.50 . . 0 "[ . 1 . 2]"
60 . 1 87 LEU C 1 88 ARG N 1 88 ARG CA 1 88 ARG C -170.00 -70.00 -118.28 -150.01 -108.58 . . 0 "[ . 1 . 2]"
61 . 1 88 ARG C 1 89 THR N 1 89 THR CA 1 89 THR C -100.00 -20.00 -62.32 -65.64 -69.16 . . 0 "[ . 1 . 2]"
62 . 1 89 THR C 1 90 LYS N 1 90 LYS CA 1 90 LYS C -170.00 -70.00 -83.95 -88.45 -94.84 . . 0 "[ . 1 . 2]"
63 . 1 90 LYS C 1 91 SER N 1 91 SER CA 1 91 SER C -150.00 -90.00 -116.18 -145.98 -88.91 1.09 11 0 "[ . 1 . 2]"
64 . 1 91 SER C 1 92 THR N 1 92 THR CA 1 92 THR C -170.00 -70.00 -120.55 -154.41 -156.19 . . 0 "[ . 1 . 2]"
65 . 1 94 GLY C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -100.00 -20.00 -79.46 -78.71 -81.06 0.20 15 0 "[ . 1 . 2]"
66 . 1 96 PRO C 1 97 THR N 1 97 THR CA 1 97 THR C -170.00 -70.00 -103.92 -122.06 -90.48 . . 0 "[ . 1 . 2]"
67 . 1 97 THR C 1 98 PHE N 1 98 PHE CA 1 98 PHE C -170.00 -70.00 -148.13 -152.46 -154.07 . . 0 "[ . 1 . 2]"
68 . 1 100 VAL C 1 101 THR N 1 101 THR CA 1 101 THR C -170.00 -70.00 -120.95 -145.29 -110.21 . . 0 "[ . 1 . 2]"
69 . 1 101 THR C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -170.00 -70.00 -124.76 -117.29 -119.39 . . 0 "[ . 1 . 2]"
70 . 1 102 VAL C 1 103 THR N 1 103 THR CA 1 103 THR C -170.00 -70.00 -108.05 -105.07 -106.45 . . 0 "[ . 1 . 2]"
71 . 1 104 LYS C 1 105 THR N 1 105 THR CA 1 105 THR C -170.00 -70.00 -97.69 -130.15 -71.73 . . 0 "[ . 1 . 2]"
72 . 1 105 THR C 1 106 ASP N 1 106 ASP CA 1 106 ASP C -100.00 -20.00 -95.78 -100.25 -90.44 0.25 2 0 "[ . 1 . 2]"
73 . 1 106 ASP C 1 107 LYS N 1 107 LYS CA 1 107 LYS C -170.00 -70.00 -146.08 -156.98 -126.95 . . 0 "[ . 1 . 2]"
74 . 1 107 LYS C 1 108 THR N 1 108 THR CA 1 108 THR C -170.00 -70.00 -140.05 -147.88 -129.95 . . 0 "[ . 1 . 2]"
75 . 1 108 THR C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -170.00 -70.00 -123.37 -127.26 -129.78 . . 0 "[ . 1 . 2]"
76 . 1 109 LEU C 1 110 VAL N 1 110 VAL CA 1 110 VAL C -170.00 -70.00 -83.90 -93.36 -76.30 . . 0 "[ . 1 . 2]"
77 . 1 110 VAL C 1 111 LEU N 1 111 LEU CA 1 111 LEU C -170.00 -70.00 -128.81 -133.92 -120.29 . . 0 "[ . 1 . 2]"
78 . 1 111 LEU C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -170.00 -70.00 -132.73 -132.39 -134.13 . . 0 "[ . 1 . 2]"
79 . 1 115 LYS C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -100.00 -20.00 -59.45 -17.19 -111.55 19.80 1 9 "[+ . *- *** * * *]"
80 . 1 117 GLY C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -100.00 -20.00 -70.29 -102.39 -21.55 2.39 13 0 "[ . 1 . 2]"
81 . 1 118 VAL C 1 119 HIS N 1 119 HIS CA 1 119 HIS C -100.00 -20.00 -79.24 -99.07 -66.48 . . 0 "[ . 1 . 2]"
82 . 1 121 GLY C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -100.00 -20.00 -77.18 -75.27 -76.68 . . 0 "[ . 1 . 2]"
83 . 1 122 LEU C 1 123 ILE N 1 123 ILE CA 1 123 ILE C -100.00 -20.00 -68.65 -72.30 -81.08 . . 0 "[ . 1 . 2]"
84 . 1 123 ILE C 1 124 ASN N 1 124 ASN CA 1 124 ASN C -100.00 -20.00 -63.34 -66.31 -58.24 . . 0 "[ . 1 . 2]"
85 . 1 124 ASN C 1 125 LYS N 1 125 LYS CA 1 125 LYS C -100.00 -20.00 -82.31 -85.87 -78.57 . . 0 "[ . 1 . 2]"
86 . 1 125 LYS C 1 126 LYS N 1 126 LYS CA 1 126 LYS C -100.00 -20.00 -84.04 -90.90 -75.45 . . 0 "[ . 1 . 2]"
87 . 1 126 LYS C 1 127 CYS N 1 127 CYS CA 1 127 CYS C -100.00 -20.00 -89.50 -90.03 -90.66 . . 0 "[ . 1 . 2]"
88 . 1 127 CYS C 1 128 TYR N 1 128 TYR CA 1 128 TYR C -100.00 -20.00 -66.21 -71.83 -61.33 . . 0 "[ . 1 . 2]"
89 . 1 128 TYR C 1 129 GLU N 1 129 GLU CA 1 129 GLU C -100.00 -20.00 -81.78 -79.77 -81.10 . . 0 "[ . 1 . 2]"
90 . 1 129 GLU C 1 130 MET N 1 130 MET CA 1 130 MET C -100.00 -20.00 -59.39 -58.88 -58.92 . . 0 "[ . 1 . 2]"
91 . 1 130 MET C 1 131 ALA N 1 131 ALA CA 1 131 ALA C -100.00 -20.00 -79.65 -85.40 -69.35 . . 0 "[ . 1 . 2]"
92 . 1 131 ALA C 1 132 SER N 1 132 SER CA 1 132 SER C -100.00 -20.00 -60.15 -59.09 -59.86 . . 0 "[ . 1 . 2]"
93 . 1 132 SER C 1 133 HIS N 1 133 HIS CA 1 133 HIS C -100.00 -20.00 -79.90 -82.24 -77.42 . . 0 "[ . 1 . 2]"
94 . 1 133 HIS C 1 134 LEU N 1 134 LEU CA 1 134 LEU C -100.00 -20.00 -67.21 -69.69 -63.63 . . 0 "[ . 1 . 2]"
95 . 1 134 LEU C 1 135 ARG N 1 135 ARG CA 1 135 ARG C -100.00 -20.00 -89.97 -93.53 -85.21 . . 0 "[ . 1 . 2]"
96 . 1 135 ARG C 1 136 ARG N 1 136 ARG CA 1 136 ARG C -100.00 -20.00 -79.09 -79.68 -80.78 . . 0 "[ . 1 . 2]"
97 . 1 136 ARG C 1 137 SER N 1 137 SER CA 1 137 SER C -170.00 -70.00 -82.66 -82.82 -84.25 . . 0 "[ . 1 . 2]"
98 . 1 138 GLN C 1 139 TYR N 1 139 TYR CA 1 139 TYR C -170.00 -70.00 -102.00 -127.89 -82.98 . . 0 "[ . 1 . 2]"
99 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 ASP N 0.00 60.00 -13.82 -53.92 2.90 53.92 15 10 "[ * * - ** +** **]"
100 . 1 13 ASP N 1 13 ASP CA 1 13 ASP C 1 14 GLY N 0.00 60.00 -1.26 -2.62 -3.72 4.74 12 0 "[ . 1 . 2]"
101 . 1 14 GLY N 1 14 GLY CA 1 14 GLY C 1 15 THR N 15.00 75.00 31.31 33.44 32.78 1.03 15 0 "[ . 1 . 2]"
102 . 1 115 LYS N 1 115 LYS CA 1 115 LYS C 1 116 GLU N 130.00 -170.00 142.28 153.78 120.70 18.06 1 9 "[+ . *- *** * * *]"
103 . 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 GLY N 100.00 160.00 125.41 149.68 92.45 10.33 1 9 "[+ . ** **- * * *]"
104 . 1 112 LEU C 1 113 MET N 1 113 MET CA 1 113 MET C -150.00 -90.00 -94.09 -91.54 -94.72 1.69 3 0 "[ . 1 . 2]"
105 . 1 116 GLU C 1 117 GLY N 1 117 GLY CA 1 117 GLY C 60.00 120.00 65.39 71.01 56.57 6.75 10 3 "[* . +- . 2]"
106 . 1 3 TRP N 1 3 TRP CA 1 3 TRP CB 1 3 TRP CG -90.00 -30.00 -88.46 -86.59 -88.34 0.38 11 0 "[ . 1 . 2]"
107 . 1 4 ASN N 1 4 ASN CA 1 4 ASN CB 1 4 ASN CG -90.00 90.00 -43.98 40.68 -48.02 0.27 10 0 "[ . 1 . 2]"
108 . 1 6 TYR N 1 6 TYR CA 1 6 TYR CB 1 6 TYR CG -90.00 90.00 -46.92 -49.69 -50.10 . . 0 "[ . 1 . 2]"
109 . 1 7 ILE N 1 7 ILE CA 1 7 ILE CB 1 7 ILE CG1 -90.00 -30.00 -74.47 -81.94 -52.65 . . 0 "[ . 1 . 2]"
110 . 1 8 ASP N 1 8 ASP CA 1 8 ASP CB 1 8 ASP CG -90.00 -30.00 -90.50 -90.41 -90.54 0.97 18 0 "[ . 1 . 2]"
111 . 1 10 LEU N 1 10 LEU CA 1 10 LEU CB 1 10 LEU CG -90.00 90.00 -63.63 -91.42 -46.86 1.42 18 0 "[ . 1 . 2]"
112 . 1 11 MET N 1 11 MET CA 1 11 MET CB 1 11 MET CG -90.00 90.00 -49.25 -54.63 87.08 . . 0 "[ . 1 . 2]"
113 . 1 13 ASP N 1 13 ASP CA 1 13 ASP CB 1 13 ASP CG 30.00 90.00 37.35 23.19 95.14 6.81 15 3 "[ . 1 + -*2]"
114 . 1 15 THR N 1 15 THR CA 1 15 THR CB 1 15 THR OG1 150.00 -30.00 -72.86 -82.85 -66.32 . . 0 "[ . 1 . 2]"
115 . 1 16 CYS N 1 16 CYS CA 1 16 CYS CB 1 16 CYS SG 30.00 90.00 75.64 91.01 53.40 5.65 3 1 "[ + . 1 . 2]"
116 . 1 17 GLN N 1 17 GLN CA 1 17 GLN CB 1 17 GLN CG 150.00 -150.00 -152.85 -165.27 -147.33 2.67 20 0 "[ . 1 . 2]"
117 . 1 18 ASP N 1 18 ASP CA 1 18 ASP CB 1 18 ASP CG 150.00 -150.00 -154.41 157.49 -148.72 1.28 3 0 "[ . 1 . 2]"
118 . 1 21 ILE N 1 21 ILE CA 1 21 ILE CB 1 21 ILE CG1 -90.00 -30.00 -57.66 -58.19 -60.33 . . 0 "[ . 1 . 2]"
119 . 1 22 VAL N 1 22 VAL CA 1 22 VAL CB 1 22 VAL CG1 150.00 -150.00 -174.65 -175.83 -177.32 . . 0 "[ . 1 . 2]"
120 . 1 24 TYR N 1 24 TYR CA 1 24 TYR CB 1 24 TYR CG 30.00 90.00 84.65 78.96 88.46 . . 0 "[ . 1 . 2]"
121 . 1 26 ASP N 1 26 ASP CA 1 26 ASP CB 1 26 ASP CG 30.00 90.00 31.60 30.06 34.72 . . 0 "[ . 1 . 2]"
122 . 1 27 SER N 1 27 SER CA 1 27 SER CB 1 27 SER OG 30.00 90.00 41.96 41.55 41.05 . . 0 "[ . 1 . 2]"
123 . 1 29 SER N 1 29 SER CA 1 29 SER CB 1 29 SER OG 30.00 90.00 53.55 44.10 61.65 . . 0 "[ . 1 . 2]"
124 . 1 30 VAL N 1 30 VAL CA 1 30 VAL CB 1 30 VAL CG1 150.00 -150.00 170.03 164.81 173.59 . . 0 "[ . 1 . 2]"
125 . 1 34 VAL N 1 34 VAL CA 1 34 VAL CB 1 34 VAL CG1 150.00 -150.00 -177.65 -176.55 -177.15 . . 0 "[ . 1 . 2]"
126 . 1 37 LYS N 1 37 LYS CA 1 37 LYS CB 1 37 LYS CG -90.00 90.00 -62.95 -87.62 -44.11 . . 0 "[ . 1 . 2]"
127 . 1 38 THR N 1 38 THR CA 1 38 THR CB 1 38 THR OG1 -90.00 -30.00 -88.71 -88.68 -90.09 0.97 14 0 "[ . 1 . 2]"
128 . 1 39 PHE N 1 39 PHE CA 1 39 PHE CB 1 39 PHE CG -90.00 90.00 -73.33 -72.30 -73.92 . . 0 "[ . 1 . 2]"
129 . 1 40 VAL N 1 40 VAL CA 1 40 VAL CB 1 40 VAL CG1 30.00 90.00 45.73 43.81 48.48 . . 0 "[ . 1 . 2]"
130 . 1 41 ASN N 1 41 ASN CA 1 41 ASN CB 1 41 ASN CG -90.00 -30.00 -80.67 -90.39 -66.90 0.39 18 0 "[ . 1 . 2]"
131 . 1 42 ILE N 1 42 ILE CA 1 42 ILE CB 1 42 ILE CG1 -90.00 -30.00 -89.56 -90.25 -90.31 0.51 5 0 "[ . 1 . 2]"
132 . 1 46 GLU N 1 46 GLU CA 1 46 GLU CB 1 46 GLU CG 30.00 90.00 32.81 29.17 59.27 0.83 5 0 "[ . 1 . 2]"
133 . 1 47 VAL N 1 47 VAL CA 1 47 VAL CB 1 47 VAL CG1 150.00 -150.00 145.29 145.07 145.02 5.57 10 4 "[ . +** . -2]"
134 . 1 49 VAL N 1 49 VAL CA 1 49 VAL CB 1 49 VAL CG1 30.00 90.00 64.53 59.04 70.98 . . 0 "[ . 1 . 2]"
135 . 1 50 LEU N 1 50 LEU CA 1 50 LEU CB 1 50 LEU CG -90.00 -30.00 -92.33 -93.02 -91.61 3.02 18 0 "[ . 1 . 2]"
136 . 1 51 VAL N 1 51 VAL CA 1 51 VAL CB 1 51 VAL CG1 -90.00 -30.00 -35.45 -34.87 -35.95 0.85 4 0 "[ . 1 . 2]"
137 . 1 53 LYS N 1 53 LYS CA 1 53 LYS CB 1 53 LYS CG -90.00 90.00 58.57 -93.93 75.17 3.93 5 0 "[ . 1 . 2]"
138 . 1 54 ASP N 1 54 ASP CA 1 54 ASP CB 1 54 ASP CG 150.00 -150.00 -161.53 -151.39 -153.21 0.14 5 0 "[ . 1 . 2]"
139 . 1 56 SER N 1 56 SER CA 1 56 SER CB 1 56 SER OG 150.00 -150.00 -174.86 -165.53 -173.03 . . 0 "[ . 1 . 2]"
140 . 1 57 SER N 1 57 SER CA 1 57 SER CB 1 57 SER OG 30.00 90.00 45.87 35.10 54.76 . . 0 "[ . 1 . 2]"
141 . 1 58 PHE N 1 58 PHE CA 1 58 PHE CB 1 58 PHE CG -90.00 90.00 67.66 45.88 89.01 . . 0 "[ . 1 . 2]"
142 . 1 59 TYR N 1 59 TYR CA 1 59 TYR CB 1 59 TYR CG -90.00 -30.00 -55.59 -68.58 -45.91 . . 0 "[ . 1 . 2]"
143 . 1 60 VAL N 1 60 VAL CA 1 60 VAL CB 1 60 VAL CG1 -90.00 -30.00 -83.06 -90.83 -59.33 0.83 2 0 "[ . 1 . 2]"
144 . 1 61 ASN N 1 61 ASN CA 1 61 ASN CB 1 61 ASN CG 30.00 90.00 57.51 40.28 75.44 . . 0 "[ . 1 . 2]"
145 . 1 63 LEU N 1 63 LEU CA 1 63 LEU CB 1 63 LEU CG -90.00 90.00 -45.52 -52.02 -55.78 . . 0 "[ . 1 . 2]"
146 . 1 64 THR N 1 64 THR CA 1 64 THR CB 1 64 THR OG1 30.00 90.00 46.69 47.29 46.93 . . 0 "[ . 1 . 2]"
147 . 1 65 LEU N 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 30.00 90.00 30.09 28.99 28.89 3.06 20 0 "[ . 1 . 2]"
148 . 1 70 CYS N 1 70 CYS CA 1 70 CYS CB 1 70 CYS SG 30.00 90.00 46.29 46.33 45.32 . . 0 "[ . 1 . 2]"
149 . 1 71 SER N 1 71 SER CA 1 71 SER CB 1 71 SER OG 30.00 90.00 73.85 64.09 63.02 1.65 15 0 "[ . 1 . 2]"
150 . 1 72 VAL N 1 72 VAL CA 1 72 VAL CB 1 72 VAL CG1 150.00 -150.00 -165.12 -171.69 -159.03 . . 0 "[ . 1 . 2]"
151 . 1 73 ILE N 1 73 ILE CA 1 73 ILE CB 1 73 ILE CG1 -90.00 -30.00 -75.95 -67.75 -69.12 . . 0 "[ . 1 . 2]"
152 . 1 75 ASP N 1 75 ASP CA 1 75 ASP CB 1 75 ASP CG 150.00 -150.00 153.81 148.19 173.59 1.81 6 0 "[ . 1 . 2]"
153 . 1 77 LEU N 1 77 LEU CA 1 77 LEU CB 1 77 LEU CG 150.00 -150.00 -162.36 -174.38 -149.15 0.85 12 0 "[ . 1 . 2]"
154 . 1 79 GLN N 1 79 GLN CA 1 79 GLN CB 1 79 GLN CG 30.00 90.00 59.49 38.78 68.23 . . 0 "[ . 1 . 2]"
155 . 1 80 ASP N 1 80 ASP CA 1 80 ASP CB 1 80 ASP CG 150.00 -150.00 -170.74 175.86 -149.92 0.08 4 0 "[ . 1 . 2]"
156 . 1 82 GLU N 1 82 GLU CA 1 82 GLU CB 1 82 GLU CG -90.00 -30.00 -90.27 -91.83 -85.14 1.83 11 0 "[ . 1 . 2]"
157 . 1 84 SER N 1 84 SER CA 1 84 SER CB 1 84 SER OG 30.00 90.00 45.81 36.09 61.60 . . 0 "[ . 1 . 2]"
158 . 1 85 MET N 1 85 MET CA 1 85 MET CB 1 85 MET CG 150.00 -150.00 -165.35 -158.70 -159.09 . . 0 "[ . 1 . 2]"
159 . 1 86 ASP N 1 86 ASP CA 1 86 ASP CB 1 86 ASP CG -90.00 -30.00 -83.65 -90.60 -90.66 1.18 12 0 "[ . 1 . 2]"
160 . 1 88 ARG N 1 88 ARG CA 1 88 ARG CB 1 88 ARG CG -90.00 90.00 89.95 85.76 92.78 2.78 8 0 "[ . 1 . 2]"
161 . 1 89 THR N 1 89 THR CA 1 89 THR CB 1 89 THR OG1 30.00 90.00 83.43 77.31 92.39 2.39 20 0 "[ . 1 . 2]"
162 . 1 90 LYS N 1 90 LYS CA 1 90 LYS CB 1 90 LYS CG -90.00 -30.00 -28.76 -27.76 -27.81 2.24 2 0 "[ . 1 . 2]"
163 . 1 91 SER N 1 91 SER CA 1 91 SER CB 1 91 SER OG 150.00 -150.00 165.64 -159.45 151.71 1.87 6 0 "[ . 1 . 2]"
164 . 1 92 THR N 1 92 THR CA 1 92 THR CB 1 92 THR OG1 30.00 90.00 65.40 52.87 72.19 . . 0 "[ . 1 . 2]"
165 . 1 96 PRO N 1 96 PRO CA 1 96 PRO CB 1 96 PRO CG 30.00 90.00 27.23 27.48 27.40 3.12 14 0 "[ . 1 . 2]"
166 . 1 97 THR N 1 97 THR CA 1 97 THR CB 1 97 THR OG1 30.00 90.00 51.65 37.75 59.22 . . 0 "[ . 1 . 2]"
167 . 1 98 PHE N 1 98 PHE CA 1 98 PHE CB 1 98 PHE CG -90.00 -30.00 -65.29 -61.67 -68.33 . . 0 "[ . 1 . 2]"
168 . 1 99 ASN N 1 99 ASN CA 1 99 ASN CB 1 99 ASN CG -90.00 -30.00 -38.15 -54.12 -29.76 0.24 19 0 "[ . 1 . 2]"
169 . 1 100 VAL N 1 100 VAL CA 1 100 VAL CB 1 100 VAL CG1 150.00 -150.00 -164.01 -167.92 -168.69 . . 0 "[ . 1 . 2]"
170 . 1 101 THR N 1 101 THR CA 1 101 THR CB 1 101 THR OG1 -90.00 -30.00 -66.95 -62.55 -65.53 . . 0 "[ . 1 . 2]"
171 . 1 102 VAL N 1 102 VAL CA 1 102 VAL CB 1 102 VAL CG1 150.00 -150.00 157.51 159.26 158.42 1.26 3 0 "[ . 1 . 2]"
172 . 1 103 THR N 1 103 THR CA 1 103 THR CB 1 103 THR OG1 30.00 90.00 44.69 38.37 50.07 . . 0 "[ . 1 . 2]"
173 . 1 104 LYS N 1 104 LYS CA 1 104 LYS CB 1 104 LYS CG 150.00 -150.00 176.28 175.74 175.21 . . 0 "[ . 1 . 2]"
174 . 1 105 THR N 1 105 THR CA 1 105 THR CB 1 105 THR OG1 30.00 90.00 65.40 62.17 70.44 . . 0 "[ . 1 . 2]"
175 . 1 106 ASP N 1 106 ASP CA 1 106 ASP CB 1 106 ASP CG 150.00 -150.00 -166.11 -152.99 -159.75 . . 0 "[ . 1 . 2]"
176 . 1 108 THR N 1 108 THR CA 1 108 THR CB 1 108 THR OG1 30.00 90.00 77.84 75.54 73.89 . . 0 "[ . 1 . 2]"
177 . 1 109 LEU N 1 109 LEU CA 1 109 LEU CB 1 109 LEU CG 150.00 -150.00 -147.35 -147.79 -148.08 4.22 9 0 "[ . 1 . 2]"
178 . 1 110 VAL N 1 110 VAL CA 1 110 VAL CB 1 110 VAL CG1 150.00 -150.00 155.84 155.41 154.16 0.15 19 0 "[ . 1 . 2]"
179 . 1 111 LEU N 1 111 LEU CA 1 111 LEU CB 1 111 LEU CG -90.00 90.00 -46.23 -37.07 -38.09 . . 0 "[ . 1 . 2]"
180 . 1 112 LEU N 1 112 LEU CA 1 112 LEU CB 1 112 LEU CG 150.00 -150.00 -168.51 -167.64 -177.10 2.02 9 0 "[ . 1 . 2]"
181 . 1 113 MET N 1 113 MET CA 1 113 MET CB 1 113 MET CG 150.00 -150.00 -168.32 -156.64 -157.85 0.15 20 0 "[ . 1 . 2]"
182 . 1 115 LYS N 1 115 LYS CA 1 115 LYS CB 1 115 LYS CG -90.00 -30.00 -70.89 -91.04 -26.41 3.59 7 0 "[ . 1 . 2]"
183 . 1 116 GLU N 1 116 GLU CA 1 116 GLU CB 1 116 GLU CG 150.00 -150.00 -161.23 -175.02 -149.93 0.07 17 0 "[ . 1 . 2]"
184 . 1 118 VAL N 1 118 VAL CA 1 118 VAL CB 1 118 VAL CG1 30.00 90.00 74.52 84.65 64.51 0.26 6 0 "[ . 1 . 2]"
185 . 1 119 HIS N 1 119 HIS CA 1 119 HIS CB 1 119 HIS CG 150.00 -150.00 -173.24 -166.27 -170.47 . . 0 "[ . 1 . 2]"
186 . 1 122 LEU N 1 122 LEU CA 1 122 LEU CB 1 122 LEU CG -90.00 90.00 -35.80 -45.14 -25.18 . . 0 "[ . 1 . 2]"
187 . 1 123 ILE N 1 123 ILE CA 1 123 ILE CB 1 123 ILE CG1 -90.00 -30.00 -71.67 -71.85 -72.64 . . 0 "[ . 1 . 2]"
188 . 1 124 ASN N 1 124 ASN CA 1 124 ASN CB 1 124 ASN CG 150.00 -150.00 -174.82 174.22 -160.72 . . 0 "[ . 1 . 2]"
189 . 1 125 LYS N 1 125 LYS CA 1 125 LYS CB 1 125 LYS CG -90.00 90.00 -67.58 -86.98 93.49 3.49 11 0 "[ . 1 . 2]"
190 . 1 126 LYS N 1 126 LYS CA 1 126 LYS CB 1 126 LYS CG -90.00 90.00 -82.93 -91.39 -62.88 1.39 7 0 "[ . 1 . 2]"
191 . 1 127 CYS N 1 127 CYS CA 1 127 CYS CB 1 127 CYS SG 150.00 -150.00 -156.71 -162.59 -150.48 . . 0 "[ . 1 . 2]"
192 . 1 128 TYR N 1 128 TYR CA 1 128 TYR CB 1 128 TYR CG 150.00 -150.00 -162.59 173.22 -148.63 1.37 16 0 "[ . 1 . 2]"
193 . 1 129 GLU N 1 129 GLU CA 1 129 GLU CB 1 129 GLU CG -90.00 90.00 -73.04 -75.73 -76.10 . . 0 "[ . 1 . 2]"
194 . 1 130 MET N 1 130 MET CA 1 130 MET CB 1 130 MET CG 150.00 -150.00 -148.81 -148.77 -148.94 2.91 3 0 "[ . 1 . 2]"
195 . 1 132 SER N 1 132 SER CA 1 132 SER CB 1 132 SER OG -90.00 90.00 -60.48 -90.05 81.71 0.05 12 0 "[ . 1 . 2]"
196 . 1 133 HIS N 1 133 HIS CA 1 133 HIS CB 1 133 HIS CG 150.00 -150.00 -160.60 -164.02 -167.37 . . 0 "[ . 1 . 2]"
197 . 1 134 LEU N 1 134 LEU CA 1 134 LEU CB 1 134 LEU CG -90.00 -30.00 -75.89 -78.72 -72.57 . . 0 "[ . 1 . 2]"
198 . 1 135 ARG N 1 135 ARG CA 1 135 ARG CB 1 135 ARG CG -90.00 90.00 -86.21 -73.41 -74.47 0.60 11 0 "[ . 1 . 2]"
199 . 1 136 ARG N 1 136 ARG CA 1 136 ARG CB 1 136 ARG CG -90.00 90.00 -77.01 -90.11 -53.40 0.11 11 0 "[ . 1 . 2]"
200 . 1 137 SER N 1 137 SER CA 1 137 SER CB 1 137 SER OG -90.00 90.00 77.22 73.19 81.37 . . 0 "[ . 1 . 2]"
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