NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384696 |
1klc   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1klc
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 164
_TA_constraint_stats_list.Viol_count 34
_TA_constraint_stats_list.Viol_total 20.06
_TA_constraint_stats_list.Viol_max 1.90
_TA_constraint_stats_list.Viol_rms 0.34
_TA_constraint_stats_list.Viol_average_all_restraints 0.12
_TA_constraint_stats_list.Viol_average_violations_only 0.59
_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 ALA C 1 2 LEU N 1 2 LEU CA 1 2 LEU C -135.00 -45.00 -102.14 -102.14 -102.14 . . 0 "[ ]"
2 . 1 2 LEU C 1 3 ASP N 1 3 ASP CA 1 3 ASP C -155.00 -85.00 -120.18 -120.18 -120.18 . . 0 "[ ]"
3 . 1 3 ASP C 1 4 THR N 1 4 THR CA 1 4 THR C -90.00 -30.00 -81.92 -81.92 -81.92 . . 0 "[ ]"
4 . 1 4 THR C 1 5 ASN N 1 5 ASN CA 1 5 ASN C -100.00 -20.00 -100.30 -100.30 -100.30 0.30 1 0 "[ ]"
5 . 1 5 ASN C 1 6 TYR N 1 6 TYR CA 1 6 TYR C -100.00 -20.00 -85.19 -85.19 -85.19 . . 0 "[ ]"
6 . 1 6 TYR C 1 7 CYS N 1 7 CYS CA 1 7 CYS C -100.00 -20.00 -89.85 -89.85 -89.85 . . 0 "[ ]"
7 . 1 7 CYS C 1 8 PHE N 1 8 PHE CA 1 8 PHE C -90.00 -30.00 -90.00 -90.00 -90.00 0.00 1 0 "[ ]"
8 . 1 8 PHE C 1 9 SER N 1 9 SER CA 1 9 SER C -165.00 -75.00 -123.49 -123.49 -123.49 . . 0 "[ ]"
9 . 1 9 SER C 1 10 SER N 1 10 SER CA 1 10 SER C -165.00 -75.00 -83.21 -83.21 -83.21 . . 0 "[ ]"
10 . 1 10 SER C 1 11 THR N 1 11 THR CA 1 11 THR C -155.00 -85.00 -101.37 -101.37 -101.37 . . 0 "[ ]"
11 . 1 12 GLU C 1 13 LYS N 1 13 LYS CA 1 13 LYS C -135.00 -45.00 -135.02 -135.02 -135.02 0.02 1 0 "[ ]"
12 . 1 13 LYS C 1 14 ASN N 1 14 ASN CA 1 14 ASN C -135.00 -45.00 -60.35 -60.35 -60.35 . . 0 "[ ]"
13 . 1 14 ASN C 1 15 CYS N 1 15 CYS CA 1 15 CYS C -135.00 -45.00 -73.19 -73.19 -73.19 . . 0 "[ ]"
14 . 1 17 VAL C 1 18 ARG N 1 18 ARG CA 1 18 ARG C -155.00 -85.00 -111.67 -111.67 -111.67 . . 0 "[ ]"
15 . 1 18 ARG C 1 19 GLN N 1 19 GLN CA 1 19 GLN C -135.00 -45.00 -65.52 -65.52 -65.52 . . 0 "[ ]"
16 . 1 20 LEU C 1 21 TYR N 1 21 TYR CA 1 21 TYR C -135.00 -45.00 -48.38 -48.38 -48.38 . . 0 "[ ]"
17 . 1 21 TYR C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -145.00 -95.00 -122.09 -122.09 -122.09 . . 0 "[ ]"
18 . 1 22 ILE C 1 23 ASP N 1 23 ASP CA 1 23 ASP C -155.00 -85.00 -83.66 -83.66 -83.66 1.34 1 0 "[ ]"
19 . 1 23 ASP C 1 24 PHE N 1 24 PHE CA 1 24 PHE C -60.00 0.00 -13.92 -13.92 -13.92 . . 0 "[ ]"
20 . 1 24 PHE C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -100.00 -20.00 -88.13 -88.13 -88.13 . . 0 "[ ]"
21 . 1 25 ARG C 1 26 LYS N 1 26 LYS CA 1 26 LYS C -100.00 -20.00 -63.63 -63.63 -63.63 . . 0 "[ ]"
22 . 1 26 LYS C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -150.00 -90.00 -90.28 -90.28 -90.28 . . 0 "[ ]"
23 . 1 27 ASP C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -150.00 -90.00 -88.78 -88.78 -88.78 1.22 1 0 "[ ]"
24 . 1 28 LEU C 1 29 GLY N 1 29 GLY CA 1 29 GLY C 30.00 90.00 63.73 63.73 63.73 . . 0 "[ ]"
25 . 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 TRP N 0.00 60.00 11.69 11.69 11.69 . . 0 "[ ]"
26 . 1 29 GLY C 1 30 TRP N 1 30 TRP CA 1 30 TRP C -135.00 -45.00 -44.73 -44.73 -44.73 0.27 1 0 "[ ]"
27 . 1 30 TRP C 1 31 LYS N 1 31 LYS CA 1 31 LYS C -155.00 -85.00 -106.96 -106.96 -106.96 . . 0 "[ ]"
28 . 1 31 LYS C 1 32 TRP N 1 32 TRP CA 1 32 TRP C -135.00 -45.00 -86.41 -86.41 -86.41 . . 0 "[ ]"
29 . 1 32 TRP C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -135.00 -45.00 -123.80 -123.80 -123.80 . . 0 "[ ]"
30 . 1 33 ILE C 1 34 HIS N 1 34 HIS CA 1 34 HIS C -145.00 -95.00 -94.75 -94.75 -94.75 0.25 1 0 "[ ]"
31 . 1 34 HIS C 1 35 GLU N 1 35 GLU CA 1 35 GLU C -135.00 -45.00 -131.64 -131.64 -131.64 . . 0 "[ ]"
32 . 1 36 PRO C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -135.00 -45.00 -59.93 -59.93 -59.93 . . 0 "[ ]"
33 . 1 39 TYR C 1 40 HIS N 1 40 HIS CA 1 40 HIS C -165.00 -75.00 -89.28 -89.28 -89.28 . . 0 "[ ]"
34 . 1 40 HIS C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -135.00 -45.00 -68.14 -68.14 -68.14 . . 0 "[ ]"
35 . 1 43 PHE C 1 44 CYS N 1 44 CYS CA 1 44 CYS C -145.00 -95.00 -134.62 -134.62 -134.62 . . 0 "[ ]"
36 . 1 47 PRO C 1 48 CYS N 1 48 CYS CA 1 48 CYS C -145.00 -95.00 -145.13 -145.13 -145.13 0.13 1 0 "[ ]"
37 . 1 49 PRO C 1 50 TYR N 1 50 TYR CA 1 50 TYR C -100.00 -20.00 -88.72 -88.72 -88.72 . . 0 "[ ]"
38 . 1 51 ILE C 1 52 TRP N 1 52 TRP CA 1 52 TRP C -135.00 -45.00 -84.38 -84.38 -84.38 . . 0 "[ ]"
39 . 1 53 SER C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -135.00 -45.00 -76.85 -76.85 -76.85 . . 0 "[ ]"
40 . 1 54 LEU C 1 55 ASP N 1 55 ASP CA 1 55 ASP C -100.00 -20.00 -85.50 -85.50 -85.50 . . 0 "[ ]"
41 . 1 55 ASP C 1 56 THR N 1 56 THR CA 1 56 THR C -145.00 -95.00 -94.74 -94.74 -94.74 0.26 1 0 "[ ]"
42 . 1 56 THR C 1 57 GLN N 1 57 GLN CA 1 57 GLN C -100.00 -20.00 -66.89 -66.89 -66.89 . . 0 "[ ]"
43 . 1 57 GLN C 1 58 TYR N 1 58 TYR CA 1 58 TYR C -100.00 -20.00 -67.02 -67.02 -67.02 . . 0 "[ ]"
44 . 1 58 TYR C 1 59 SER N 1 59 SER CA 1 59 SER C -100.00 -20.00 -78.36 -78.36 -78.36 . . 0 "[ ]"
45 . 1 59 SER C 1 60 LYS N 1 60 LYS CA 1 60 LYS C -100.00 -20.00 -86.79 -86.79 -86.79 . . 0 "[ ]"
46 . 1 60 LYS C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -90.00 -30.00 -66.88 -66.88 -66.88 . . 0 "[ ]"
47 . 1 61 VAL C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -90.00 -30.00 -56.79 -56.79 -56.79 . . 0 "[ ]"
48 . 1 62 LEU C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -90.00 -30.00 -45.22 -45.22 -45.22 . . 0 "[ ]"
49 . 1 63 ALA C 1 64 LEU N 1 64 LEU CA 1 64 LEU C -90.00 -30.00 -90.19 -90.19 -90.19 0.19 1 0 "[ ]"
50 . 1 64 LEU C 1 65 TYR N 1 65 TYR CA 1 65 TYR C -90.00 -30.00 -54.55 -54.55 -54.55 . . 0 "[ ]"
51 . 1 65 TYR C 1 66 ASN N 1 66 ASN CA 1 66 ASN C -100.00 -20.00 -91.54 -91.54 -91.54 . . 0 "[ ]"
52 . 1 66 ASN C 1 67 GLN N 1 67 GLN CA 1 67 GLN C -90.00 -30.00 -57.20 -57.20 -57.20 . . 0 "[ ]"
53 . 1 67 GLN C 1 68 HIS N 1 68 HIS CA 1 68 HIS C -165.00 -75.00 -98.82 -98.82 -98.82 . . 0 "[ ]"
54 . 1 68 HIS C 1 69 ASN N 1 69 ASN CA 1 69 ASN C -145.00 -95.00 -94.61 -94.61 -94.61 0.39 1 0 "[ ]"
55 . 1 70 PRO N 1 70 PRO CA 1 70 PRO C 1 71 GLY N 90.00 150.00 104.89 104.89 104.89 . . 0 "[ ]"
56 . 1 70 PRO C 1 71 GLY N 1 71 GLY CA 1 71 GLY C 60.00 120.00 120.14 120.14 120.14 0.14 1 0 "[ ]"
57 . 1 71 GLY N 1 71 GLY CA 1 71 GLY C 1 72 ALA N -30.00 30.00 16.46 16.46 16.46 . . 0 "[ ]"
58 . 1 71 GLY C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -120.00 -60.00 -113.30 -113.30 -113.30 . . 0 "[ ]"
59 . 1 72 ALA C 1 73 SER N 1 73 SER CA 1 73 SER C -130.00 -50.00 -101.77 -101.77 -101.77 . . 0 "[ ]"
60 . 1 73 SER C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -135.00 -45.00 -93.40 -93.40 -93.40 . . 0 "[ ]"
61 . 1 74 ALA C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -90.00 -30.00 -52.64 -52.64 -52.64 . . 0 "[ ]"
62 . 1 76 PRO C 1 77 CYS N 1 77 CYS CA 1 77 CYS C -145.00 -95.00 -145.56 -145.56 -145.56 0.56 1 0 "[ ]"
63 . 1 77 CYS C 1 78 CYS N 1 78 CYS CA 1 78 CYS C -100.00 -20.00 -52.75 -52.75 -52.75 . . 0 "[ ]"
64 . 1 78 CYS C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -145.00 -95.00 -144.21 -144.21 -144.21 . . 0 "[ ]"
65 . 1 81 GLN C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -165.00 -75.00 -86.56 -86.56 -86.56 . . 0 "[ ]"
66 . 1 83 LEU C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -165.00 -75.00 -148.22 -148.22 -148.22 . . 0 "[ ]"
67 . 1 85 PRO C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -165.00 -75.00 -165.19 -165.19 -165.19 0.19 1 0 "[ ]"
68 . 1 87 PRO C 1 88 ILE N 1 88 ILE CA 1 88 ILE C -145.00 -95.00 -119.64 -119.64 -119.64 . . 0 "[ ]"
69 . 1 88 ILE C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -165.00 -75.00 -164.28 -164.28 -164.28 . . 0 "[ ]"
70 . 1 89 VAL C 1 90 TYR N 1 90 TYR CA 1 90 TYR C 165.00 -105.00 -121.06 -121.06 -121.06 . . 0 "[ ]"
71 . 1 90 TYR C 1 91 TYR N 1 91 TYR CA 1 91 TYR C -155.00 -85.00 -126.81 -126.81 -126.81 . . 0 "[ ]"
72 . 1 91 TYR C 1 92 VAL N 1 92 VAL CA 1 92 VAL C -145.00 -95.00 -114.37 -114.37 -114.37 . . 0 "[ ]"
73 . 1 92 VAL C 1 93 GLY N 1 93 GLY CA 1 93 GLY C 20.00 80.00 74.37 74.37 74.37 . . 0 "[ ]"
74 . 1 93 GLY N 1 93 GLY CA 1 93 GLY C 1 94 ARG N -90.00 -30.00 -82.52 -82.52 -82.52 . . 0 "[ ]"
75 . 1 93 GLY C 1 94 ARG N 1 94 ARG CA 1 94 ARG C -155.00 -85.00 -140.61 -140.61 -140.61 . . 0 "[ ]"
76 . 1 94 ARG C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -165.00 -75.00 -104.19 -104.19 -104.19 . . 0 "[ ]"
77 . 1 96 PRO C 1 97 LYS N 1 97 LYS CA 1 97 LYS C -145.00 -95.00 -141.35 -141.35 -141.35 . . 0 "[ ]"
78 . 1 97 LYS C 1 98 VAL N 1 98 VAL CA 1 98 VAL C -155.00 -85.00 -94.07 -94.07 -94.07 . . 0 "[ ]"
79 . 1 98 VAL C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -165.00 -75.00 -132.66 -132.66 -132.66 . . 0 "[ ]"
80 . 1 99 GLU C 1 100 GLN N 1 100 GLN CA 1 100 GLN C -165.00 -75.00 -148.48 -148.48 -148.48 . . 0 "[ ]"
81 . 1 100 GLN C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -135.00 -45.00 -44.20 -44.20 -44.20 0.80 1 0 "[ ]"
82 . 1 101 LEU C 1 102 SER N 1 102 SER CA 1 102 SER C -100.00 -20.00 -101.37 -101.37 -101.37 1.37 1 0 "[ ]"
83 . 1 102 SER C 1 103 ASN N 1 103 ASN CA 1 103 ASN C 25.00 115.00 56.27 56.27 56.27 . . 0 "[ ]"
84 . 1 103 ASN C 1 104 MET N 1 104 MET CA 1 104 MET C -145.00 -95.00 -93.63 -93.63 -93.63 1.37 1 0 "[ ]"
85 . 1 104 MET C 1 105 ILE N 1 105 ILE CA 1 105 ILE C -155.00 -85.00 -155.07 -155.07 -155.07 0.07 1 0 "[ ]"
86 . 1 105 ILE C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -135.00 -45.00 -114.33 -114.33 -114.33 . . 0 "[ ]"
87 . 1 106 VAL C 1 107 ARG N 1 107 ARG CA 1 107 ARG C -145.00 -95.00 -144.22 -144.22 -144.22 . . 0 "[ ]"
88 . 1 108 SER C 1 109 CYS N 1 109 CYS CA 1 109 CYS C -145.00 -95.00 -94.94 -94.94 -94.94 0.06 1 0 "[ ]"
89 . 1 110 LYS C 1 111 CYS N 1 111 CYS CA 1 111 CYS C -155.00 -85.00 -153.19 -153.19 -153.19 . . 0 "[ ]"
90 . 1 111 CYS C 1 112 SER N 1 112 SER CA 1 112 SER C -155.00 -85.00 -88.75 -88.75 -88.75 . . 0 "[ ]"
91 . 1 2 LEU N 1 2 LEU CA 1 2 LEU CB 1 2 LEU CG -90.00 -30.00 -50.19 -50.19 -50.19 . . 0 "[ ]"
92 . 1 2 LEU CA 1 2 LEU CB 1 2 LEU CG 1 2 LEU CD1 150.00 -150.00 -171.27 -171.27 -171.27 . . 0 "[ ]"
93 . 1 3 ASP N 1 3 ASP CA 1 3 ASP CB 1 3 ASP CG 30.00 90.00 38.83 38.83 38.83 . . 0 "[ ]"
94 . 1 4 THR N 1 4 THR CA 1 4 THR CB 1 4 THR OG1 30.00 90.00 84.29 84.29 84.29 . . 0 "[ ]"
95 . 1 6 TYR N 1 6 TYR CA 1 6 TYR CB 1 6 TYR CG 150.00 -150.00 167.68 167.68 167.68 . . 0 "[ ]"
96 . 1 7 CYS N 1 7 CYS CA 1 7 CYS CB 1 7 CYS SG -90.00 -30.00 -69.52 -69.52 -69.52 . . 0 "[ ]"
97 . 1 8 PHE N 1 8 PHE CA 1 8 PHE CB 1 8 PHE CG -90.00 -30.00 -90.74 -90.74 -90.74 0.74 1 0 "[ ]"
98 . 1 14 ASN N 1 14 ASN CA 1 14 ASN CB 1 14 ASN CG -90.00 -30.00 -44.62 -44.62 -44.62 . . 0 "[ ]"
99 . 1 15 CYS N 1 15 CYS CA 1 15 CYS CB 1 15 CYS SG 150.00 -150.00 163.04 163.04 163.04 . . 0 "[ ]"
100 . 1 17 VAL N 1 17 VAL CA 1 17 VAL CB 1 17 VAL CG1 20.00 100.00 71.02 71.02 71.02 . . 0 "[ ]"
101 . 1 19 GLN N 1 19 GLN CA 1 19 GLN CB 1 19 GLN CG 30.00 90.00 72.21 72.21 72.21 . . 0 "[ ]"
102 . 1 20 LEU N 1 20 LEU CA 1 20 LEU CB 1 20 LEU CG 150.00 -150.00 -172.09 -172.09 -172.09 . . 0 "[ ]"
103 . 1 20 LEU CA 1 20 LEU CB 1 20 LEU CG 1 20 LEU CD1 30.00 90.00 51.17 51.17 51.17 . . 0 "[ ]"
104 . 1 21 TYR N 1 21 TYR CA 1 21 TYR CB 1 21 TYR CG 150.00 -150.00 175.20 175.20 175.20 . . 0 "[ ]"
105 . 1 22 ILE N 1 22 ILE CA 1 22 ILE CB 1 22 ILE CG1 -90.00 -30.00 -57.43 -57.43 -57.43 . . 0 "[ ]"
106 . 1 22 ILE CA 1 22 ILE CB 1 22 ILE CG1 1 22 ILE CD1 150.00 -150.00 -169.39 -169.39 -169.39 . . 0 "[ ]"
107 . 1 24 PHE N 1 24 PHE CA 1 24 PHE CB 1 24 PHE CG -90.00 -30.00 -86.71 -86.71 -86.71 . . 0 "[ ]"
108 . 1 26 LYS N 1 26 LYS CA 1 26 LYS CB 1 26 LYS CG 150.00 -150.00 -148.10 -148.10 -148.10 1.90 1 0 "[ ]"
109 . 1 27 ASP N 1 27 ASP CA 1 27 ASP CB 1 27 ASP CG -90.00 -30.00 -90.95 -90.95 -90.95 0.95 1 0 "[ ]"
110 . 1 28 LEU N 1 28 LEU CA 1 28 LEU CB 1 28 LEU CG -90.00 -30.00 -55.73 -55.73 -55.73 . . 0 "[ ]"
111 . 1 28 LEU CA 1 28 LEU CB 1 28 LEU CG 1 28 LEU CD1 150.00 -150.00 -170.70 -170.70 -170.70 . . 0 "[ ]"
112 . 1 30 TRP N 1 30 TRP CA 1 30 TRP CB 1 30 TRP CG -90.00 -30.00 -88.23 -88.23 -88.23 . . 0 "[ ]"
113 . 1 31 LYS N 1 31 LYS CA 1 31 LYS CB 1 31 LYS CG -90.00 -30.00 -90.85 -90.85 -90.85 0.85 1 0 "[ ]"
114 . 1 32 TRP N 1 32 TRP CA 1 32 TRP CB 1 32 TRP CG 30.00 90.00 75.51 75.51 75.51 . . 0 "[ ]"
115 . 1 33 ILE N 1 33 ILE CA 1 33 ILE CB 1 33 ILE CG1 -90.00 -30.00 -83.32 -83.32 -83.32 . . 0 "[ ]"
116 . 1 33 ILE CA 1 33 ILE CB 1 33 ILE CG1 1 33 ILE CD1 150.00 -150.00 172.94 172.94 172.94 . . 0 "[ ]"
117 . 1 35 GLU N 1 35 GLU CA 1 35 GLU CB 1 35 GLU CG -90.00 -30.00 -87.59 -87.59 -87.59 . . 0 "[ ]"
118 . 1 37 LYS N 1 37 LYS CA 1 37 LYS CB 1 37 LYS CG -90.00 -30.00 -91.00 -91.00 -91.00 1.00 1 0 "[ ]"
119 . 1 39 TYR N 1 39 TYR CA 1 39 TYR CB 1 39 TYR CG 30.00 90.00 72.69 72.69 72.69 . . 0 "[ ]"
120 . 1 43 PHE N 1 43 PHE CA 1 43 PHE CB 1 43 PHE CG 30.00 90.00 74.16 74.16 74.16 . . 0 "[ ]"
121 . 1 44 CYS N 1 44 CYS CA 1 44 CYS CB 1 44 CYS SG -90.00 -30.00 -28.47 -28.47 -28.47 1.53 1 0 "[ ]"
122 . 1 45 LEU N 1 45 LEU CA 1 45 LEU CB 1 45 LEU CG -90.00 -30.00 -75.70 -75.70 -75.70 . . 0 "[ ]"
123 . 1 45 LEU CA 1 45 LEU CB 1 45 LEU CG 1 45 LEU CD1 150.00 -150.00 -171.93 -171.93 -171.93 . . 0 "[ ]"
124 . 1 51 ILE N 1 51 ILE CA 1 51 ILE CB 1 51 ILE CG1 30.00 90.00 48.62 48.62 48.62 . . 0 "[ ]"
125 . 1 51 ILE CA 1 51 ILE CB 1 51 ILE CG1 1 51 ILE CD1 150.00 -150.00 149.41 149.41 149.41 0.59 1 0 "[ ]"
126 . 1 54 LEU N 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG -90.00 -30.00 -57.67 -57.67 -57.67 . . 0 "[ ]"
127 . 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 1 54 LEU CD1 150.00 -150.00 156.17 156.17 156.17 . . 0 "[ ]"
128 . 1 56 THR N 1 56 THR CA 1 56 THR CB 1 56 THR OG1 30.00 90.00 86.98 86.98 86.98 . . 0 "[ ]"
129 . 1 58 TYR N 1 58 TYR CA 1 58 TYR CB 1 58 TYR CG 150.00 -150.00 156.11 156.11 156.11 . . 0 "[ ]"
130 . 1 61 VAL N 1 61 VAL CA 1 61 VAL CB 1 61 VAL CG1 150.00 -150.00 161.53 161.53 161.53 . . 0 "[ ]"
131 . 1 62 LEU N 1 62 LEU CA 1 62 LEU CB 1 62 LEU CG 150.00 -150.00 169.26 169.26 169.26 . . 0 "[ ]"
132 . 1 62 LEU CA 1 62 LEU CB 1 62 LEU CG 1 62 LEU CD1 30.00 90.00 89.66 89.66 89.66 . . 0 "[ ]"
133 . 1 64 LEU N 1 64 LEU CA 1 64 LEU CB 1 64 LEU CG -90.00 -30.00 -66.39 -66.39 -66.39 . . 0 "[ ]"
134 . 1 64 LEU CA 1 64 LEU CB 1 64 LEU CG 1 64 LEU CD1 150.00 -150.00 149.79 149.79 149.79 0.21 1 0 "[ ]"
135 . 1 65 TYR N 1 65 TYR CA 1 65 TYR CB 1 65 TYR CG 150.00 -150.00 173.45 173.45 173.45 . . 0 "[ ]"
136 . 1 66 ASN N 1 66 ASN CA 1 66 ASN CB 1 66 ASN CG 150.00 -150.00 -152.39 -152.39 -152.39 . . 0 "[ ]"
137 . 1 67 GLN N 1 67 GLN CA 1 67 GLN CB 1 67 GLN CG -90.00 -30.00 -90.58 -90.58 -90.58 0.58 1 0 "[ ]"
138 . 1 68 HIS N 1 68 HIS CA 1 68 HIS CB 1 68 HIS CG -90.00 -30.00 -90.76 -90.76 -90.76 0.76 1 0 "[ ]"
139 . 1 69 ASN N 1 69 ASN CA 1 69 ASN CB 1 69 ASN CG -90.00 -30.00 -67.93 -67.93 -67.93 . . 0 "[ ]"
140 . 1 78 CYS N 1 78 CYS CA 1 78 CYS CB 1 78 CYS SG 150.00 -150.00 -175.11 -175.11 -175.11 . . 0 "[ ]"
141 . 1 79 VAL N 1 79 VAL CA 1 79 VAL CB 1 79 VAL CG1 -90.00 -30.00 -37.48 -37.48 -37.48 . . 0 "[ ]"
142 . 1 81 GLN N 1 81 GLN CA 1 81 GLN CB 1 81 GLN CG 150.00 -150.00 167.86 167.86 167.86 . . 0 "[ ]"
143 . 1 83 LEU N 1 83 LEU CA 1 83 LEU CB 1 83 LEU CG -90.00 -30.00 -66.55 -66.55 -66.55 . . 0 "[ ]"
144 . 1 83 LEU CA 1 83 LEU CB 1 83 LEU CG 1 83 LEU CD1 150.00 -150.00 149.89 149.89 149.89 0.11 1 0 "[ ]"
145 . 1 84 GLU N 1 84 GLU CA 1 84 GLU CB 1 84 GLU CG -100.00 -20.00 -100.06 -100.06 -100.06 0.06 1 0 "[ ]"
146 . 1 86 LEU N 1 86 LEU CA 1 86 LEU CB 1 86 LEU CG 150.00 -150.00 148.77 148.77 148.77 1.23 1 0 "[ ]"
147 . 1 86 LEU CA 1 86 LEU CB 1 86 LEU CG 1 86 LEU CD1 30.00 90.00 90.44 90.44 90.44 0.44 1 0 "[ ]"
148 . 1 88 ILE N 1 88 ILE CA 1 88 ILE CB 1 88 ILE CG1 30.00 90.00 77.33 77.33 77.33 . . 0 "[ ]"
149 . 1 88 ILE CA 1 88 ILE CB 1 88 ILE CG1 1 88 ILE CD1 150.00 -150.00 -169.08 -169.08 -169.08 . . 0 "[ ]"
150 . 1 89 VAL N 1 89 VAL CA 1 89 VAL CB 1 89 VAL CG1 150.00 -150.00 -169.03 -169.03 -169.03 . . 0 "[ ]"
151 . 1 90 TYR N 1 90 TYR CA 1 90 TYR CB 1 90 TYR CG 30.00 90.00 37.12 37.12 37.12 . . 0 "[ ]"
152 . 1 91 TYR N 1 91 TYR CA 1 91 TYR CB 1 91 TYR CG -100.00 -20.00 -93.25 -93.25 -93.25 . . 0 "[ ]"
153 . 1 92 VAL N 1 92 VAL CA 1 92 VAL CB 1 92 VAL CG1 150.00 -150.00 -149.82 -149.82 -149.82 0.18 1 0 "[ ]"
154 . 1 94 ARG N 1 94 ARG CA 1 94 ARG CB 1 94 ARG CG -90.00 -30.00 -54.65 -54.65 -54.65 . . 0 "[ ]"
155 . 1 98 VAL N 1 98 VAL CA 1 98 VAL CB 1 98 VAL CG1 150.00 -150.00 178.56 178.56 178.56 . . 0 "[ ]"
156 . 1 100 GLN N 1 100 GLN CA 1 100 GLN CB 1 100 GLN CG -90.00 -30.00 -52.92 -52.92 -52.92 . . 0 "[ ]"
157 . 1 101 LEU N 1 101 LEU CA 1 101 LEU CB 1 101 LEU CG -90.00 -30.00 -54.81 -54.81 -54.81 . . 0 "[ ]"
158 . 1 101 LEU CA 1 101 LEU CB 1 101 LEU CG 1 101 LEU CD1 150.00 -150.00 -159.62 -159.62 -159.62 . . 0 "[ ]"
159 . 1 103 ASN N 1 103 ASN CA 1 103 ASN CB 1 103 ASN CG -90.00 -30.00 -73.43 -73.43 -73.43 . . 0 "[ ]"
160 . 1 105 ILE N 1 105 ILE CA 1 105 ILE CB 1 105 ILE CG1 -90.00 -30.00 -62.83 -62.83 -62.83 . . 0 "[ ]"
161 . 1 105 ILE CA 1 105 ILE CB 1 105 ILE CG1 1 105 ILE CD1 150.00 -150.00 -176.29 -176.29 -176.29 . . 0 "[ ]"
162 . 1 106 VAL N 1 106 VAL CA 1 106 VAL CB 1 106 VAL CG1 150.00 -150.00 162.85 162.85 162.85 . . 0 "[ ]"
163 . 1 109 CYS N 1 109 CYS CA 1 109 CYS CB 1 109 CYS SG -90.00 -30.00 -65.94 -65.94 -65.94 . . 0 "[ ]"
164 . 1 111 CYS N 1 111 CYS CA 1 111 CYS CB 1 111 CYS SG -90.00 -30.00 -82.42 -82.42 -82.42 . . 0 "[ ]"
stop_
save_
save_distance_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 164
_TA_constraint_stats_list.Viol_count 35
_TA_constraint_stats_list.Viol_total 20.85
_TA_constraint_stats_list.Viol_max 1.84
_TA_constraint_stats_list.Viol_rms 0.34
_TA_constraint_stats_list.Viol_average_all_restraints 0.13
_TA_constraint_stats_list.Viol_average_violations_only 0.60
_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 . 2 1 ALA C 2 2 LEU N 2 2 LEU CA 2 2 LEU C -135.00 -45.00 -101.63 -101.63 -101.63 . . 0 "[ ]"
2 . 2 2 LEU C 2 3 ASP N 2 3 ASP CA 2 3 ASP C -155.00 -85.00 -120.80 -120.80 -120.80 . . 0 "[ ]"
3 . 2 3 ASP C 2 4 THR N 2 4 THR CA 2 4 THR C -90.00 -30.00 -82.15 -82.15 -82.15 . . 0 "[ ]"
4 . 2 4 THR C 2 5 ASN N 2 5 ASN CA 2 5 ASN C -100.00 -20.00 -100.43 -100.43 -100.43 0.43 1 0 "[ ]"
5 . 2 5 ASN C 2 6 TYR N 2 6 TYR CA 2 6 TYR C -100.00 -20.00 -85.26 -85.26 -85.26 . . 0 "[ ]"
6 . 2 6 TYR C 2 7 CYS N 2 7 CYS CA 2 7 CYS C -100.00 -20.00 -89.97 -89.97 -89.97 . . 0 "[ ]"
7 . 2 7 CYS C 2 8 PHE N 2 8 PHE CA 2 8 PHE C -90.00 -30.00 -90.00 -90.00 -90.00 0.00 1 0 "[ ]"
8 . 2 8 PHE C 2 9 SER N 2 9 SER CA 2 9 SER C -165.00 -75.00 -123.47 -123.47 -123.47 . . 0 "[ ]"
9 . 2 9 SER C 2 10 SER N 2 10 SER CA 2 10 SER C -165.00 -75.00 -83.21 -83.21 -83.21 . . 0 "[ ]"
10 . 2 10 SER C 2 11 THR N 2 11 THR CA 2 11 THR C -155.00 -85.00 -101.40 -101.40 -101.40 . . 0 "[ ]"
11 . 2 12 GLU C 2 13 LYS N 2 13 LYS CA 2 13 LYS C -135.00 -45.00 -134.98 -134.98 -134.98 . . 0 "[ ]"
12 . 2 13 LYS C 2 14 ASN N 2 14 ASN CA 2 14 ASN C -135.00 -45.00 -60.33 -60.33 -60.33 . . 0 "[ ]"
13 . 2 14 ASN C 2 15 CYS N 2 15 CYS CA 2 15 CYS C -135.00 -45.00 -73.01 -73.01 -73.01 . . 0 "[ ]"
14 . 2 17 VAL C 2 18 ARG N 2 18 ARG CA 2 18 ARG C -155.00 -85.00 -112.49 -112.49 -112.49 . . 0 "[ ]"
15 . 2 18 ARG C 2 19 GLN N 2 19 GLN CA 2 19 GLN C -135.00 -45.00 -65.23 -65.23 -65.23 . . 0 "[ ]"
16 . 2 20 LEU C 2 21 TYR N 2 21 TYR CA 2 21 TYR C -135.00 -45.00 -48.41 -48.41 -48.41 . . 0 "[ ]"
17 . 2 21 TYR C 2 22 ILE N 2 22 ILE CA 2 22 ILE C -145.00 -95.00 -122.15 -122.15 -122.15 . . 0 "[ ]"
18 . 2 22 ILE C 2 23 ASP N 2 23 ASP CA 2 23 ASP C -155.00 -85.00 -83.65 -83.65 -83.65 1.35 1 0 "[ ]"
19 . 2 23 ASP C 2 24 PHE N 2 24 PHE CA 2 24 PHE C -60.00 0.00 -13.98 -13.98 -13.98 . . 0 "[ ]"
20 . 2 24 PHE C 2 25 ARG N 2 25 ARG CA 2 25 ARG C -100.00 -20.00 -88.13 -88.13 -88.13 . . 0 "[ ]"
21 . 2 25 ARG C 2 26 LYS N 2 26 LYS CA 2 26 LYS C -100.00 -20.00 -63.64 -63.64 -63.64 . . 0 "[ ]"
22 . 2 26 LYS C 2 27 ASP N 2 27 ASP CA 2 27 ASP C -150.00 -90.00 -90.15 -90.15 -90.15 . . 0 "[ ]"
23 . 2 27 ASP C 2 28 LEU N 2 28 LEU CA 2 28 LEU C -150.00 -90.00 -88.71 -88.71 -88.71 1.29 1 0 "[ ]"
24 . 2 28 LEU C 2 29 GLY N 2 29 GLY CA 2 29 GLY C 30.00 90.00 63.71 63.71 63.71 . . 0 "[ ]"
25 . 2 29 GLY N 2 29 GLY CA 2 29 GLY C 2 30 TRP N 0.00 60.00 11.72 11.72 11.72 . . 0 "[ ]"
26 . 2 29 GLY C 2 30 TRP N 2 30 TRP CA 2 30 TRP C -135.00 -45.00 -44.79 -44.79 -44.79 0.21 1 0 "[ ]"
27 . 2 30 TRP C 2 31 LYS N 2 31 LYS CA 2 31 LYS C -155.00 -85.00 -106.82 -106.82 -106.82 . . 0 "[ ]"
28 . 2 31 LYS C 2 32 TRP N 2 32 TRP CA 2 32 TRP C -135.00 -45.00 -86.36 -86.36 -86.36 . . 0 "[ ]"
29 . 2 32 TRP C 2 33 ILE N 2 33 ILE CA 2 33 ILE C -135.00 -45.00 -123.83 -123.83 -123.83 . . 0 "[ ]"
30 . 2 33 ILE C 2 34 HIS N 2 34 HIS CA 2 34 HIS C -145.00 -95.00 -94.69 -94.69 -94.69 0.31 1 0 "[ ]"
31 . 2 34 HIS C 2 35 GLU N 2 35 GLU CA 2 35 GLU C -135.00 -45.00 -131.61 -131.61 -131.61 . . 0 "[ ]"
32 . 2 36 PRO C 2 37 LYS N 2 37 LYS CA 2 37 LYS C -135.00 -45.00 -59.94 -59.94 -59.94 . . 0 "[ ]"
33 . 2 39 TYR C 2 40 HIS N 2 40 HIS CA 2 40 HIS C -165.00 -75.00 -89.23 -89.23 -89.23 . . 0 "[ ]"
34 . 2 40 HIS C 2 41 ALA N 2 41 ALA CA 2 41 ALA C -135.00 -45.00 -68.26 -68.26 -68.26 . . 0 "[ ]"
35 . 2 43 PHE C 2 44 CYS N 2 44 CYS CA 2 44 CYS C -145.00 -95.00 -133.30 -133.30 -133.30 . . 0 "[ ]"
36 . 2 47 PRO C 2 48 CYS N 2 48 CYS CA 2 48 CYS C -145.00 -95.00 -145.00 -145.00 -145.00 0.00 1 0 "[ ]"
37 . 2 49 PRO C 2 50 TYR N 2 50 TYR CA 2 50 TYR C -100.00 -20.00 -88.62 -88.62 -88.62 . . 0 "[ ]"
38 . 2 51 ILE C 2 52 TRP N 2 52 TRP CA 2 52 TRP C -135.00 -45.00 -84.46 -84.46 -84.46 . . 0 "[ ]"
39 . 2 53 SER C 2 54 LEU N 2 54 LEU CA 2 54 LEU C -135.00 -45.00 -76.92 -76.92 -76.92 . . 0 "[ ]"
40 . 2 54 LEU C 2 55 ASP N 2 55 ASP CA 2 55 ASP C -100.00 -20.00 -85.87 -85.87 -85.87 . . 0 "[ ]"
41 . 2 55 ASP C 2 56 THR N 2 56 THR CA 2 56 THR C -145.00 -95.00 -94.88 -94.88 -94.88 0.12 1 0 "[ ]"
42 . 2 56 THR C 2 57 GLN N 2 57 GLN CA 2 57 GLN C -100.00 -20.00 -66.85 -66.85 -66.85 . . 0 "[ ]"
43 . 2 57 GLN C 2 58 TYR N 2 58 TYR CA 2 58 TYR C -100.00 -20.00 -66.95 -66.95 -66.95 . . 0 "[ ]"
44 . 2 58 TYR C 2 59 SER N 2 59 SER CA 2 59 SER C -100.00 -20.00 -78.16 -78.16 -78.16 . . 0 "[ ]"
45 . 2 59 SER C 2 60 LYS N 2 60 LYS CA 2 60 LYS C -100.00 -20.00 -86.66 -86.66 -86.66 . . 0 "[ ]"
46 . 2 60 LYS C 2 61 VAL N 2 61 VAL CA 2 61 VAL C -90.00 -30.00 -66.98 -66.98 -66.98 . . 0 "[ ]"
47 . 2 61 VAL C 2 62 LEU N 2 62 LEU CA 2 62 LEU C -90.00 -30.00 -56.77 -56.77 -56.77 . . 0 "[ ]"
48 . 2 62 LEU C 2 63 ALA N 2 63 ALA CA 2 63 ALA C -90.00 -30.00 -45.13 -45.13 -45.13 . . 0 "[ ]"
49 . 2 63 ALA C 2 64 LEU N 2 64 LEU CA 2 64 LEU C -90.00 -30.00 -90.15 -90.15 -90.15 0.15 1 0 "[ ]"
50 . 2 64 LEU C 2 65 TYR N 2 65 TYR CA 2 65 TYR C -90.00 -30.00 -54.54 -54.54 -54.54 . . 0 "[ ]"
51 . 2 65 TYR C 2 66 ASN N 2 66 ASN CA 2 66 ASN C -100.00 -20.00 -91.52 -91.52 -91.52 . . 0 "[ ]"
52 . 2 66 ASN C 2 67 GLN N 2 67 GLN CA 2 67 GLN C -90.00 -30.00 -57.10 -57.10 -57.10 . . 0 "[ ]"
53 . 2 67 GLN C 2 68 HIS N 2 68 HIS CA 2 68 HIS C -165.00 -75.00 -98.85 -98.85 -98.85 . . 0 "[ ]"
54 . 2 68 HIS C 2 69 ASN N 2 69 ASN CA 2 69 ASN C -145.00 -95.00 -94.62 -94.62 -94.62 0.38 1 0 "[ ]"
55 . 2 70 PRO N 2 70 PRO CA 2 70 PRO C 2 71 GLY N 90.00 150.00 104.94 104.94 104.94 . . 0 "[ ]"
56 . 2 70 PRO C 2 71 GLY N 2 71 GLY CA 2 71 GLY C 60.00 120.00 120.14 120.14 120.14 0.14 1 0 "[ ]"
57 . 2 71 GLY N 2 71 GLY CA 2 71 GLY C 2 72 ALA N -30.00 30.00 16.29 16.29 16.29 . . 0 "[ ]"
58 . 2 71 GLY C 2 72 ALA N 2 72 ALA CA 2 72 ALA C -120.00 -60.00 -113.14 -113.14 -113.14 . . 0 "[ ]"
59 . 2 72 ALA C 2 73 SER N 2 73 SER CA 2 73 SER C -130.00 -50.00 -101.73 -101.73 -101.73 . . 0 "[ ]"
60 . 2 73 SER C 2 74 ALA N 2 74 ALA CA 2 74 ALA C -135.00 -45.00 -93.35 -93.35 -93.35 . . 0 "[ ]"
61 . 2 74 ALA C 2 75 ALA N 2 75 ALA CA 2 75 ALA C -90.00 -30.00 -52.66 -52.66 -52.66 . . 0 "[ ]"
62 . 2 76 PRO C 2 77 CYS N 2 77 CYS CA 2 77 CYS C -145.00 -95.00 -145.42 -145.42 -145.42 0.42 1 0 "[ ]"
63 . 2 77 CYS C 2 78 CYS N 2 78 CYS CA 2 78 CYS C -100.00 -20.00 -53.43 -53.43 -53.43 . . 0 "[ ]"
64 . 2 78 CYS C 2 79 VAL N 2 79 VAL CA 2 79 VAL C -145.00 -95.00 -144.30 -144.30 -144.30 . . 0 "[ ]"
65 . 2 81 GLN C 2 82 ALA N 2 82 ALA CA 2 82 ALA C -165.00 -75.00 -86.85 -86.85 -86.85 . . 0 "[ ]"
66 . 2 83 LEU C 2 84 GLU N 2 84 GLU CA 2 84 GLU C -165.00 -75.00 -148.42 -148.42 -148.42 . . 0 "[ ]"
67 . 2 85 PRO C 2 86 LEU N 2 86 LEU CA 2 86 LEU C -165.00 -75.00 -165.18 -165.18 -165.18 0.18 1 0 "[ ]"
68 . 2 87 PRO C 2 88 ILE N 2 88 ILE CA 2 88 ILE C -145.00 -95.00 -119.72 -119.72 -119.72 . . 0 "[ ]"
69 . 2 88 ILE C 2 89 VAL N 2 89 VAL CA 2 89 VAL C -165.00 -75.00 -164.28 -164.28 -164.28 . . 0 "[ ]"
70 . 2 89 VAL C 2 90 TYR N 2 90 TYR CA 2 90 TYR C 165.00 -105.00 -121.08 -121.08 -121.08 . . 0 "[ ]"
71 . 2 90 TYR C 2 91 TYR N 2 91 TYR CA 2 91 TYR C -155.00 -85.00 -126.92 -126.92 -126.92 . . 0 "[ ]"
72 . 2 91 TYR C 2 92 VAL N 2 92 VAL CA 2 92 VAL C -145.00 -95.00 -114.41 -114.41 -114.41 . . 0 "[ ]"
73 . 2 92 VAL C 2 93 GLY N 2 93 GLY CA 2 93 GLY C 20.00 80.00 74.35 74.35 74.35 . . 0 "[ ]"
74 . 2 93 GLY N 2 93 GLY CA 2 93 GLY C 2 94 ARG N -90.00 -30.00 -82.49 -82.49 -82.49 . . 0 "[ ]"
75 . 2 93 GLY C 2 94 ARG N 2 94 ARG CA 2 94 ARG C -155.00 -85.00 -140.59 -140.59 -140.59 . . 0 "[ ]"
76 . 2 94 ARG C 2 95 LYS N 2 95 LYS CA 2 95 LYS C -165.00 -75.00 -104.15 -104.15 -104.15 . . 0 "[ ]"
77 . 2 96 PRO C 2 97 LYS N 2 97 LYS CA 2 97 LYS C -145.00 -95.00 -141.35 -141.35 -141.35 . . 0 "[ ]"
78 . 2 97 LYS C 2 98 VAL N 2 98 VAL CA 2 98 VAL C -155.00 -85.00 -94.02 -94.02 -94.02 . . 0 "[ ]"
79 . 2 98 VAL C 2 99 GLU N 2 99 GLU CA 2 99 GLU C -165.00 -75.00 -132.63 -132.63 -132.63 . . 0 "[ ]"
80 . 2 99 GLU C 2 100 GLN N 2 100 GLN CA 2 100 GLN C -165.00 -75.00 -148.46 -148.46 -148.46 . . 0 "[ ]"
81 . 2 100 GLN C 2 101 LEU N 2 101 LEU CA 2 101 LEU C -135.00 -45.00 -44.24 -44.24 -44.24 0.76 1 0 "[ ]"
82 . 2 101 LEU C 2 102 SER N 2 102 SER CA 2 102 SER C -100.00 -20.00 -101.37 -101.37 -101.37 1.37 1 0 "[ ]"
83 . 2 102 SER C 2 103 ASN N 2 103 ASN CA 2 103 ASN C 25.00 115.00 56.30 56.30 56.30 . . 0 "[ ]"
84 . 2 103 ASN C 2 104 MET N 2 104 MET CA 2 104 MET C -145.00 -95.00 -93.54 -93.54 -93.54 1.46 1 0 "[ ]"
85 . 2 104 MET C 2 105 ILE N 2 105 ILE CA 2 105 ILE C -155.00 -85.00 -155.15 -155.15 -155.15 0.15 1 0 "[ ]"
86 . 2 105 ILE C 2 106 VAL N 2 106 VAL CA 2 106 VAL C -135.00 -45.00 -114.40 -114.40 -114.40 . . 0 "[ ]"
87 . 2 106 VAL C 2 107 ARG N 2 107 ARG CA 2 107 ARG C -145.00 -95.00 -144.57 -144.57 -144.57 . . 0 "[ ]"
88 . 2 108 SER C 2 109 CYS N 2 109 CYS CA 2 109 CYS C -145.00 -95.00 -93.68 -93.68 -93.68 1.32 1 0 "[ ]"
89 . 2 110 LYS C 2 111 CYS N 2 111 CYS CA 2 111 CYS C -155.00 -85.00 -155.48 -155.48 -155.48 0.48 1 0 "[ ]"
90 . 2 111 CYS C 2 112 SER N 2 112 SER CA 2 112 SER C -155.00 -85.00 -84.91 -84.91 -84.91 0.09 1 0 "[ ]"
91 . 2 2 LEU N 2 2 LEU CA 2 2 LEU CB 2 2 LEU CG -90.00 -30.00 -49.95 -49.95 -49.95 . . 0 "[ ]"
92 . 2 2 LEU CA 2 2 LEU CB 2 2 LEU CG 2 2 LEU CD1 150.00 -150.00 -171.73 -171.73 -171.73 . . 0 "[ ]"
93 . 2 3 ASP N 2 3 ASP CA 2 3 ASP CB 2 3 ASP CG 30.00 90.00 39.00 39.00 39.00 . . 0 "[ ]"
94 . 2 4 THR N 2 4 THR CA 2 4 THR CB 2 4 THR OG1 30.00 90.00 84.28 84.28 84.28 . . 0 "[ ]"
95 . 2 6 TYR N 2 6 TYR CA 2 6 TYR CB 2 6 TYR CG 150.00 -150.00 167.72 167.72 167.72 . . 0 "[ ]"
96 . 2 7 CYS N 2 7 CYS CA 2 7 CYS CB 2 7 CYS SG -90.00 -30.00 -69.34 -69.34 -69.34 . . 0 "[ ]"
97 . 2 8 PHE N 2 8 PHE CA 2 8 PHE CB 2 8 PHE CG -90.00 -30.00 -90.82 -90.82 -90.82 0.82 1 0 "[ ]"
98 . 2 14 ASN N 2 14 ASN CA 2 14 ASN CB 2 14 ASN CG -90.00 -30.00 -44.60 -44.60 -44.60 . . 0 "[ ]"
99 . 2 15 CYS N 2 15 CYS CA 2 15 CYS CB 2 15 CYS SG 150.00 -150.00 163.10 163.10 163.10 . . 0 "[ ]"
100 . 2 17 VAL N 2 17 VAL CA 2 17 VAL CB 2 17 VAL CG1 20.00 100.00 72.05 72.05 72.05 . . 0 "[ ]"
101 . 2 19 GLN N 2 19 GLN CA 2 19 GLN CB 2 19 GLN CG 30.00 90.00 72.26 72.26 72.26 . . 0 "[ ]"
102 . 2 20 LEU N 2 20 LEU CA 2 20 LEU CB 2 20 LEU CG 150.00 -150.00 -172.09 -172.09 -172.09 . . 0 "[ ]"
103 . 2 20 LEU CA 2 20 LEU CB 2 20 LEU CG 2 20 LEU CD1 30.00 90.00 51.28 51.28 51.28 . . 0 "[ ]"
104 . 2 21 TYR N 2 21 TYR CA 2 21 TYR CB 2 21 TYR CG 150.00 -150.00 175.23 175.23 175.23 . . 0 "[ ]"
105 . 2 22 ILE N 2 22 ILE CA 2 22 ILE CB 2 22 ILE CG1 -90.00 -30.00 -57.30 -57.30 -57.30 . . 0 "[ ]"
106 . 2 22 ILE CA 2 22 ILE CB 2 22 ILE CG1 2 22 ILE CD1 150.00 -150.00 -169.47 -169.47 -169.47 . . 0 "[ ]"
107 . 2 24 PHE N 2 24 PHE CA 2 24 PHE CB 2 24 PHE CG -90.00 -30.00 -86.63 -86.63 -86.63 . . 0 "[ ]"
108 . 2 26 LYS N 2 26 LYS CA 2 26 LYS CB 2 26 LYS CG 150.00 -150.00 -148.16 -148.16 -148.16 1.84 1 0 "[ ]"
109 . 2 27 ASP N 2 27 ASP CA 2 27 ASP CB 2 27 ASP CG -90.00 -30.00 -90.94 -90.94 -90.94 0.94 1 0 "[ ]"
110 . 2 28 LEU N 2 28 LEU CA 2 28 LEU CB 2 28 LEU CG -90.00 -30.00 -55.69 -55.69 -55.69 . . 0 "[ ]"
111 . 2 28 LEU CA 2 28 LEU CB 2 28 LEU CG 2 28 LEU CD1 150.00 -150.00 -170.74 -170.74 -170.74 . . 0 "[ ]"
112 . 2 30 TRP N 2 30 TRP CA 2 30 TRP CB 2 30 TRP CG -90.00 -30.00 -88.24 -88.24 -88.24 . . 0 "[ ]"
113 . 2 31 LYS N 2 31 LYS CA 2 31 LYS CB 2 31 LYS CG -90.00 -30.00 -90.87 -90.87 -90.87 0.87 1 0 "[ ]"
114 . 2 32 TRP N 2 32 TRP CA 2 32 TRP CB 2 32 TRP CG 30.00 90.00 75.52 75.52 75.52 . . 0 "[ ]"
115 . 2 33 ILE N 2 33 ILE CA 2 33 ILE CB 2 33 ILE CG1 -90.00 -30.00 -83.34 -83.34 -83.34 . . 0 "[ ]"
116 . 2 33 ILE CA 2 33 ILE CB 2 33 ILE CG1 2 33 ILE CD1 150.00 -150.00 173.00 173.00 173.00 . . 0 "[ ]"
117 . 2 35 GLU N 2 35 GLU CA 2 35 GLU CB 2 35 GLU CG -90.00 -30.00 -87.66 -87.66 -87.66 . . 0 "[ ]"
118 . 2 37 LYS N 2 37 LYS CA 2 37 LYS CB 2 37 LYS CG -90.00 -30.00 -90.99 -90.99 -90.99 0.99 1 0 "[ ]"
119 . 2 39 TYR N 2 39 TYR CA 2 39 TYR CB 2 39 TYR CG 30.00 90.00 72.76 72.76 72.76 . . 0 "[ ]"
120 . 2 43 PHE N 2 43 PHE CA 2 43 PHE CB 2 43 PHE CG 30.00 90.00 74.29 74.29 74.29 . . 0 "[ ]"
121 . 2 44 CYS N 2 44 CYS CA 2 44 CYS CB 2 44 CYS SG -90.00 -30.00 -29.35 -29.35 -29.35 0.65 1 0 "[ ]"
122 . 2 45 LEU N 2 45 LEU CA 2 45 LEU CB 2 45 LEU CG -90.00 -30.00 -75.59 -75.59 -75.59 . . 0 "[ ]"
123 . 2 45 LEU CA 2 45 LEU CB 2 45 LEU CG 2 45 LEU CD1 150.00 -150.00 -171.99 -171.99 -171.99 . . 0 "[ ]"
124 . 2 51 ILE N 2 51 ILE CA 2 51 ILE CB 2 51 ILE CG1 30.00 90.00 48.55 48.55 48.55 . . 0 "[ ]"
125 . 2 51 ILE CA 2 51 ILE CB 2 51 ILE CG1 2 51 ILE CD1 150.00 -150.00 149.42 149.42 149.42 0.58 1 0 "[ ]"
126 . 2 54 LEU N 2 54 LEU CA 2 54 LEU CB 2 54 LEU CG -90.00 -30.00 -57.64 -57.64 -57.64 . . 0 "[ ]"
127 . 2 54 LEU CA 2 54 LEU CB 2 54 LEU CG 2 54 LEU CD1 150.00 -150.00 156.04 156.04 156.04 . . 0 "[ ]"
128 . 2 56 THR N 2 56 THR CA 2 56 THR CB 2 56 THR OG1 30.00 90.00 86.65 86.65 86.65 . . 0 "[ ]"
129 . 2 58 TYR N 2 58 TYR CA 2 58 TYR CB 2 58 TYR CG 150.00 -150.00 156.05 156.05 156.05 . . 0 "[ ]"
130 . 2 61 VAL N 2 61 VAL CA 2 61 VAL CB 2 61 VAL CG1 150.00 -150.00 161.51 161.51 161.51 . . 0 "[ ]"
131 . 2 62 LEU N 2 62 LEU CA 2 62 LEU CB 2 62 LEU CG 150.00 -150.00 169.20 169.20 169.20 . . 0 "[ ]"
132 . 2 62 LEU CA 2 62 LEU CB 2 62 LEU CG 2 62 LEU CD1 30.00 90.00 89.67 89.67 89.67 . . 0 "[ ]"
133 . 2 64 LEU N 2 64 LEU CA 2 64 LEU CB 2 64 LEU CG -90.00 -30.00 -66.45 -66.45 -66.45 . . 0 "[ ]"
134 . 2 64 LEU CA 2 64 LEU CB 2 64 LEU CG 2 64 LEU CD1 150.00 -150.00 149.71 149.71 149.71 0.29 1 0 "[ ]"
135 . 2 65 TYR N 2 65 TYR CA 2 65 TYR CB 2 65 TYR CG 150.00 -150.00 173.58 173.58 173.58 . . 0 "[ ]"
136 . 2 66 ASN N 2 66 ASN CA 2 66 ASN CB 2 66 ASN CG 150.00 -150.00 -152.39 -152.39 -152.39 . . 0 "[ ]"
137 . 2 67 GLN N 2 67 GLN CA 2 67 GLN CB 2 67 GLN CG -90.00 -30.00 -90.54 -90.54 -90.54 0.54 1 0 "[ ]"
138 . 2 68 HIS N 2 68 HIS CA 2 68 HIS CB 2 68 HIS CG -90.00 -30.00 -90.77 -90.77 -90.77 0.77 1 0 "[ ]"
139 . 2 69 ASN N 2 69 ASN CA 2 69 ASN CB 2 69 ASN CG -90.00 -30.00 -67.82 -67.82 -67.82 . . 0 "[ ]"
140 . 2 78 CYS N 2 78 CYS CA 2 78 CYS CB 2 78 CYS SG 150.00 -150.00 -175.57 -175.57 -175.57 . . 0 "[ ]"
141 . 2 79 VAL N 2 79 VAL CA 2 79 VAL CB 2 79 VAL CG1 -90.00 -30.00 -36.40 -36.40 -36.40 . . 0 "[ ]"
142 . 2 81 GLN N 2 81 GLN CA 2 81 GLN CB 2 81 GLN CG 150.00 -150.00 165.51 165.51 165.51 . . 0 "[ ]"
143 . 2 83 LEU N 2 83 LEU CA 2 83 LEU CB 2 83 LEU CG -90.00 -30.00 -66.26 -66.26 -66.26 . . 0 "[ ]"
144 . 2 83 LEU CA 2 83 LEU CB 2 83 LEU CG 2 83 LEU CD1 150.00 -150.00 149.90 149.90 149.90 0.10 1 0 "[ ]"
145 . 2 84 GLU N 2 84 GLU CA 2 84 GLU CB 2 84 GLU CG -100.00 -20.00 -100.03 -100.03 -100.03 0.03 1 0 "[ ]"
146 . 2 86 LEU N 2 86 LEU CA 2 86 LEU CB 2 86 LEU CG 150.00 -150.00 148.79 148.79 148.79 1.21 1 0 "[ ]"
147 . 2 86 LEU CA 2 86 LEU CB 2 86 LEU CG 2 86 LEU CD1 30.00 90.00 90.42 90.42 90.42 0.42 1 0 "[ ]"
148 . 2 88 ILE N 2 88 ILE CA 2 88 ILE CB 2 88 ILE CG1 30.00 90.00 77.30 77.30 77.30 . . 0 "[ ]"
149 . 2 88 ILE CA 2 88 ILE CB 2 88 ILE CG1 2 88 ILE CD1 150.00 -150.00 -169.12 -169.12 -169.12 . . 0 "[ ]"
150 . 2 89 VAL N 2 89 VAL CA 2 89 VAL CB 2 89 VAL CG1 150.00 -150.00 -169.03 -169.03 -169.03 . . 0 "[ ]"
151 . 2 90 TYR N 2 90 TYR CA 2 90 TYR CB 2 90 TYR CG 30.00 90.00 37.07 37.07 37.07 . . 0 "[ ]"
152 . 2 91 TYR N 2 91 TYR CA 2 91 TYR CB 2 91 TYR CG -100.00 -20.00 -93.27 -93.27 -93.27 . . 0 "[ ]"
153 . 2 92 VAL N 2 92 VAL CA 2 92 VAL CB 2 92 VAL CG1 150.00 -150.00 -149.83 -149.83 -149.83 0.17 1 0 "[ ]"
154 . 2 94 ARG N 2 94 ARG CA 2 94 ARG CB 2 94 ARG CG -90.00 -30.00 -54.47 -54.47 -54.47 . . 0 "[ ]"
155 . 2 98 VAL N 2 98 VAL CA 2 98 VAL CB 2 98 VAL CG1 150.00 -150.00 178.56 178.56 178.56 . . 0 "[ ]"
156 . 2 100 GLN N 2 100 GLN CA 2 100 GLN CB 2 100 GLN CG -90.00 -30.00 -53.00 -53.00 -53.00 . . 0 "[ ]"
157 . 2 101 LEU N 2 101 LEU CA 2 101 LEU CB 2 101 LEU CG -90.00 -30.00 -54.88 -54.88 -54.88 . . 0 "[ ]"
158 . 2 101 LEU CA 2 101 LEU CB 2 101 LEU CG 2 101 LEU CD1 150.00 -150.00 -159.52 -159.52 -159.52 . . 0 "[ ]"
159 . 2 103 ASN N 2 103 ASN CA 2 103 ASN CB 2 103 ASN CG -90.00 -30.00 -73.98 -73.98 -73.98 . . 0 "[ ]"
160 . 2 105 ILE N 2 105 ILE CA 2 105 ILE CB 2 105 ILE CG1 -90.00 -30.00 -62.87 -62.87 -62.87 . . 0 "[ ]"
161 . 2 105 ILE CA 2 105 ILE CB 2 105 ILE CG1 2 105 ILE CD1 150.00 -150.00 -176.29 -176.29 -176.29 . . 0 "[ ]"
162 . 2 106 VAL N 2 106 VAL CA 2 106 VAL CB 2 106 VAL CG1 150.00 -150.00 162.83 162.83 162.83 . . 0 "[ ]"
163 . 2 109 CYS N 2 109 CYS CA 2 109 CYS CB 2 109 CYS SG -90.00 -30.00 -71.04 -71.04 -71.04 . . 0 "[ ]"
164 . 2 111 CYS N 2 111 CYS CA 2 111 CYS CB 2 111 CYS SG -90.00 -30.00 -83.18 -83.18 -83.18 . . 0 "[ ]"
stop_
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 4:02:02 AM GMT (wattos1)