NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
454942 |
3trx   |
2958 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_3trx
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 241
_TA_constraint_stats_list.Viol_count 11
_TA_constraint_stats_list.Viol_total 7.20
_TA_constraint_stats_list.Viol_max 1.33
_TA_constraint_stats_list.Viol_rms 0.16
_TA_constraint_stats_list.Viol_average_all_restraints 0.03
_TA_constraint_stats_list.Viol_average_violations_only 0.65
_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 MET C 1 2 VAL N 1 2 VAL CA 1 2 VAL C -170.00 20.00 -58.01 -58.01 -58.01 . . 0 "[ ]"
2 . 1 2 VAL C 1 3 LYS N 1 3 LYS CA 1 3 LYS C -155.00 -85.00 -136.53 -136.53 -136.53 . . 0 "[ ]"
3 . 1 3 LYS C 1 4 GLN N 1 4 GLN CA 1 4 GLN C -175.00 -65.00 -97.99 -97.99 -97.99 . . 0 "[ ]"
4 . 1 4 GLN C 1 5 ILE N 1 5 ILE CA 1 5 ILE C -120.00 -60.00 -97.06 -97.06 -97.06 . . 0 "[ ]"
5 . 1 5 ILE C 1 6 GLU N 1 6 GLU CA 1 6 GLU C -175.00 -115.00 -143.93 -143.93 -143.93 . . 0 "[ ]"
6 . 1 6 GLU C 1 7 SER N 1 7 SER CA 1 7 SER C -180.00 -120.00 -153.23 -153.23 -153.23 . . 0 "[ ]"
7 . 1 7 SER C 1 8 LYS N 1 8 LYS CA 1 8 LYS C -95.00 -15.00 -74.08 -74.08 -74.08 . . 0 "[ ]"
8 . 1 8 LYS C 1 9 THR N 1 9 THR CA 1 9 THR C -85.00 -25.00 -47.14 -47.14 -47.14 . . 0 "[ ]"
9 . 1 9 THR C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -80.00 -20.00 -74.62 -74.62 -74.62 . . 0 "[ ]"
10 . 1 10 ALA C 1 11 PHE N 1 11 PHE CA 1 11 PHE C -95.00 -35.00 -44.32 -44.32 -44.32 . . 0 "[ ]"
11 . 1 11 PHE C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -75.00 25.00 -76.21 -76.21 -76.21 1.21 1 0 "[ ]"
12 . 1 12 GLN C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -90.00 -30.00 -56.85 -56.85 -56.85 . . 0 "[ ]"
13 . 1 13 GLU C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -95.00 -35.00 -53.89 -53.89 -53.89 . . 0 "[ ]"
14 . 1 14 ALA C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -95.00 -35.00 -74.87 -74.87 -74.87 . . 0 "[ ]"
15 . 1 15 LEU C 1 16 ASP N 1 16 ASP CA 1 16 ASP C -95.00 -35.00 -95.22 -95.22 -95.22 0.22 1 0 "[ ]"
16 . 1 16 ASP C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -105.00 -45.00 -99.17 -99.17 -99.17 . . 0 "[ ]"
17 . 1 17 ALA C 1 18 ALA N 1 18 ALA CA 1 18 ALA C -95.00 -35.00 -90.23 -90.23 -90.23 . . 0 "[ ]"
18 . 1 18 ALA C 1 19 GLY N 1 19 GLY CA 1 19 GLY C 15.00 105.00 66.60 66.60 66.60 . . 0 "[ ]"
19 . 1 19 GLY C 1 20 ASP N 1 20 ASP CA 1 20 ASP C 45.00 -45.00 -133.30 -133.30 -133.30 . . 0 "[ ]"
20 . 1 20 ASP C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -110.00 -40.00 -45.37 -45.37 -45.37 . . 0 "[ ]"
21 . 1 21 LYS C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -100.00 -40.00 -49.64 -49.64 -49.64 . . 0 "[ ]"
22 . 1 22 LEU C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -155.00 -85.00 -133.69 -133.69 -133.69 . . 0 "[ ]"
23 . 1 23 VAL C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -155.00 -85.00 -93.47 -93.47 -93.47 . . 0 "[ ]"
24 . 1 24 VAL C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -155.00 -85.00 -116.24 -116.24 -116.24 . . 0 "[ ]"
25 . 1 25 VAL C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -165.00 -75.00 -114.88 -114.88 -114.88 . . 0 "[ ]"
26 . 1 26 ASP C 1 27 PHE N 1 27 PHE CA 1 27 PHE C -150.00 -70.00 -77.65 -77.65 -77.65 . . 0 "[ ]"
27 . 1 27 PHE C 1 28 SER N 1 28 SER CA 1 28 SER C 170.00 -90.00 -143.89 -143.89 -143.89 . . 0 "[ ]"
28 . 1 28 SER C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -150.00 -90.00 -100.69 -100.69 -100.69 . . 0 "[ ]"
29 . 1 29 ALA C 1 30 THR N 1 30 THR CA 1 30 THR C -180.00 0.00 -86.45 -86.45 -86.45 . . 0 "[ ]"
30 . 1 30 THR C 1 31 TRP N 1 31 TRP CA 1 31 TRP C -180.00 0.00 -70.40 -70.40 -70.40 . . 0 "[ ]"
31 . 1 31 TRP C 1 32 CYS N 1 32 CYS CA 1 32 CYS C -180.00 0.00 -54.04 -54.04 -54.04 . . 0 "[ ]"
32 . 1 32 CYS C 1 33 GLY N 1 33 GLY CA 1 33 GLY C -135.00 -35.00 -96.80 -96.80 -96.80 . . 0 "[ ]"
33 . 1 33 GLY C 1 34 PRO N 1 34 PRO CA 1 34 PRO C -135.00 -35.00 -47.36 -47.36 -47.36 . . 0 "[ ]"
34 . 1 34 PRO C 1 35 CYS N 1 35 CYS CA 1 35 CYS C -145.00 -35.00 -73.73 -73.73 -73.73 . . 0 "[ ]"
35 . 1 35 CYS C 1 36 LYS N 1 36 LYS CA 1 36 LYS C 175.00 -35.00 -89.54 -89.54 -89.54 . . 0 "[ ]"
36 . 1 36 LYS C 1 37 MET N 1 37 MET CA 1 37 MET C -95.00 -35.00 -80.49 -80.49 -80.49 . . 0 "[ ]"
37 . 1 37 MET C 1 38 ILE N 1 38 ILE CA 1 38 ILE C -165.00 -75.00 -97.28 -97.28 -97.28 . . 0 "[ ]"
38 . 1 38 ILE C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -85.00 -25.00 -68.25 -68.25 -68.25 . . 0 "[ ]"
39 . 1 39 LYS C 1 40 PRO N 1 40 PRO CA 1 40 PRO C -115.00 -45.00 -62.13 -62.13 -62.13 . . 0 "[ ]"
40 . 1 40 PRO C 1 41 PHE N 1 41 PHE CA 1 41 PHE C -105.00 -45.00 -106.33 -106.33 -106.33 1.33 1 0 "[ ]"
41 . 1 41 PHE C 1 42 PHE N 1 42 PHE CA 1 42 PHE C -85.00 -25.00 -85.33 -85.33 -85.33 0.33 1 0 "[ ]"
42 . 1 42 PHE C 1 43 HIS N 1 43 HIS CA 1 43 HIS C -85.00 -25.00 -85.35 -85.35 -85.35 0.35 1 0 "[ ]"
43 . 1 43 HIS C 1 44 SER N 1 44 SER CA 1 44 SER C -100.00 -40.00 -84.16 -84.16 -84.16 . . 0 "[ ]"
44 . 1 44 SER C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -85.00 -25.00 -67.98 -67.98 -67.98 . . 0 "[ ]"
45 . 1 45 LEU C 1 46 SER N 1 46 SER CA 1 46 SER C -85.00 -25.00 -55.53 -55.53 -55.53 . . 0 "[ ]"
46 . 1 46 SER C 1 47 GLU N 1 47 GLU CA 1 47 GLU C -115.00 -55.00 -91.93 -91.93 -91.93 . . 0 "[ ]"
47 . 1 47 GLU C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -105.00 5.00 -59.08 -59.08 -59.08 . . 0 "[ ]"
48 . 1 48 LYS C 1 49 TYR N 1 49 TYR CA 1 49 TYR C -165.00 -75.00 -86.40 -86.40 -86.40 . . 0 "[ ]"
49 . 1 49 TYR C 1 50 SER N 1 50 SER CA 1 50 SER C -95.00 -35.00 -87.34 -87.34 -87.34 . . 0 "[ ]"
50 . 1 50 SER C 1 51 ASN N 1 51 ASN CA 1 51 ASN C -120.00 -60.00 -96.76 -96.76 -96.76 . . 0 "[ ]"
51 . 1 51 ASN C 1 52 VAL N 1 52 VAL CA 1 52 VAL C -155.00 -85.00 -123.26 -123.26 -123.26 . . 0 "[ ]"
52 . 1 52 VAL C 1 53 ILE N 1 53 ILE CA 1 53 ILE C -155.00 -85.00 -104.70 -104.70 -104.70 . . 0 "[ ]"
53 . 1 53 ILE C 1 54 PHE N 1 54 PHE CA 1 54 PHE C -155.00 -85.00 -116.93 -116.93 -116.93 . . 0 "[ ]"
54 . 1 54 PHE C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -155.00 -85.00 -126.56 -126.56 -126.56 . . 0 "[ ]"
55 . 1 55 LEU C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -155.00 -85.00 -146.62 -146.62 -146.62 . . 0 "[ ]"
56 . 1 56 GLU C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -155.00 -85.00 -98.20 -98.20 -98.20 . . 0 "[ ]"
57 . 1 57 VAL C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -110.00 -50.00 -99.66 -99.66 -99.66 . . 0 "[ ]"
58 . 1 58 ASP C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -85.00 -25.00 -68.77 -68.77 -68.77 . . 0 "[ ]"
59 . 1 59 VAL C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -145.00 -75.00 -107.43 -107.43 -107.43 . . 0 "[ ]"
60 . 1 60 ASP C 1 61 ASP N 1 61 ASP CA 1 61 ASP C -110.00 -50.00 -109.04 -109.04 -109.04 . . 0 "[ ]"
61 . 1 61 ASP C 1 62 CYS N 1 62 CYS CA 1 62 CYS C -155.00 -85.00 -126.01 -126.01 -126.01 . . 0 "[ ]"
62 . 1 62 CYS C 1 63 GLN N 1 63 GLN CA 1 63 GLN C -95.00 -35.00 -61.43 -61.43 -61.43 . . 0 "[ ]"
63 . 1 63 GLN C 1 64 ASP N 1 64 ASP CA 1 64 ASP C -105.00 -45.00 -63.88 -63.88 -63.88 . . 0 "[ ]"
64 . 1 64 ASP C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -105.00 -45.00 -74.37 -74.37 -74.37 . . 0 "[ ]"
65 . 1 65 VAL C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -95.00 -35.00 -60.30 -60.30 -60.30 . . 0 "[ ]"
66 . 1 67 SER C 1 68 GLU N 1 68 GLU CA 1 68 GLU C -95.00 -35.00 -80.60 -80.60 -80.60 . . 0 "[ ]"
67 . 1 68 GLU C 1 69 CYS N 1 69 CYS CA 1 69 CYS C -155.00 -75.00 -93.19 -93.19 -93.19 . . 0 "[ ]"
68 . 1 69 CYS C 1 70 GLU N 1 70 GLU CA 1 70 GLU C 25.00 95.00 57.89 57.89 57.89 . . 0 "[ ]"
69 . 1 70 GLU C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -115.00 -55.00 -78.82 -78.82 -78.82 . . 0 "[ ]"
70 . 1 71 VAL C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -145.00 -85.00 -145.56 -145.56 -145.56 0.56 1 0 "[ ]"
71 . 1 72 LYS C 1 73 CYS N 1 73 CYS CA 1 73 CYS C -180.00 -120.00 -176.26 -176.26 -176.26 . . 0 "[ ]"
72 . 1 75 PRO C 1 76 THR N 1 76 THR CA 1 76 THR C -175.00 -65.00 -126.58 -126.58 -126.58 . . 0 "[ ]"
73 . 1 76 THR C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -155.00 -85.00 -97.22 -97.22 -97.22 . . 0 "[ ]"
74 . 1 77 PHE C 1 78 GLN N 1 78 GLN CA 1 78 GLN C -155.00 -85.00 -125.53 -125.53 -125.53 . . 0 "[ ]"
75 . 1 78 GLN C 1 79 PHE N 1 79 PHE CA 1 79 PHE C -150.00 -90.00 -119.70 -119.70 -119.70 . . 0 "[ ]"
76 . 1 79 PHE C 1 80 PHE N 1 80 PHE CA 1 80 PHE C -155.00 -85.00 -115.05 -115.05 -115.05 . . 0 "[ ]"
77 . 1 80 PHE C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -175.00 -65.00 -140.17 -140.17 -140.17 . . 0 "[ ]"
78 . 1 81 LYS C 1 82 LYS N 1 82 LYS CA 1 82 LYS C 15.00 105.00 57.37 57.37 57.37 . . 0 "[ ]"
79 . 1 82 LYS C 1 83 GLY N 1 83 GLY CA 1 83 GLY C 5.00 -175.00 95.17 95.17 95.17 . . 0 "[ ]"
80 . 1 83 GLY C 1 84 GLN N 1 84 GLN CA 1 84 GLN C -155.00 -85.00 -127.67 -127.67 -127.67 . . 0 "[ ]"
81 . 1 84 GLN C 1 85 LYS N 1 85 LYS CA 1 85 LYS C -100.00 -40.00 -69.22 -69.22 -69.22 . . 0 "[ ]"
82 . 1 85 LYS C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -155.00 -85.00 -132.95 -132.95 -132.95 . . 0 "[ ]"
83 . 1 87 GLY C 1 88 GLU N 1 88 GLU CA 1 88 GLU C 170.00 -130.00 -164.92 -164.92 -164.92 . . 0 "[ ]"
84 . 1 89 PHE C 1 90 SER N 1 90 SER CA 1 90 SER C -165.00 -75.00 -107.31 -107.31 -107.31 . . 0 "[ ]"
85 . 1 90 SER C 1 91 GLY N 1 91 GLY CA 1 91 GLY C 5.00 175.00 122.66 122.66 122.66 . . 0 "[ ]"
86 . 1 91 GLY C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -110.00 -50.00 -72.24 -72.24 -72.24 . . 0 "[ ]"
87 . 1 92 ALA C 1 93 ASN N 1 93 ASN CA 1 93 ASN C -175.00 -65.00 -125.29 -125.29 -125.29 . . 0 "[ ]"
88 . 1 94 LYS C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -95.00 -35.00 -46.46 -46.46 -46.46 . . 0 "[ ]"
89 . 1 95 GLU C 1 96 LYS N 1 96 LYS CA 1 96 LYS C -85.00 5.00 -81.43 -81.43 -81.43 . . 0 "[ ]"
90 . 1 96 LYS C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -85.00 -25.00 -46.52 -46.52 -46.52 . . 0 "[ ]"
91 . 1 97 LEU C 1 98 GLU N 1 98 GLU CA 1 98 GLU C -95.00 -35.00 -50.17 -50.17 -50.17 . . 0 "[ ]"
92 . 1 98 GLU C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -90.00 -30.00 -49.10 -49.10 -49.10 . . 0 "[ ]"
93 . 1 99 ALA C 1 100 THR N 1 100 THR CA 1 100 THR C -100.00 -40.00 -56.17 -56.17 -56.17 . . 0 "[ ]"
94 . 1 100 THR C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -95.00 -35.00 -60.01 -60.01 -60.01 . . 0 "[ ]"
95 . 1 101 ILE C 1 102 ASN N 1 102 ASN CA 1 102 ASN C -95.00 35.00 -63.43 -63.43 -63.43 . . 0 "[ ]"
96 . 1 102 ASN C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -115.00 -55.00 -72.31 -72.31 -72.31 . . 0 "[ ]"
97 . 1 103 GLU C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -165.00 -75.00 -99.67 -99.67 -99.67 . . 0 "[ ]"
98 . 1 104 LEU C 1 105 VAL N 1 105 VAL CA 1 105 VAL C -105.00 -45.00 -51.43 -51.43 -51.43 . . 0 "[ ]"
99 . 1 3 LYS N 1 3 LYS CA 1 3 LYS C 1 4 GLN N -35.00 -105.00 139.69 139.69 139.69 . . 0 "[ ]"
100 . 1 5 ILE N 1 5 ILE CA 1 5 ILE C 1 6 GLU N 25.00 -155.00 169.09 169.09 169.09 . . 0 "[ ]"
101 . 1 6 GLU N 1 6 GLU CA 1 6 GLU C 1 7 SER N -85.00 65.00 -19.36 -19.36 -19.36 . . 0 "[ ]"
102 . 1 7 SER N 1 7 SER CA 1 7 SER C 1 8 LYS N 105.00 -75.00 176.94 176.94 176.94 . . 0 "[ ]"
103 . 1 8 LYS N 1 8 LYS CA 1 8 LYS C 1 9 THR N -100.00 0.00 -50.48 -50.48 -50.48 . . 0 "[ ]"
104 . 1 9 THR N 1 9 THR CA 1 9 THR C 1 10 ALA N -95.00 5.00 -34.95 -34.95 -34.95 . . 0 "[ ]"
105 . 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 LEU N -105.00 105.00 -42.82 -42.82 -42.82 . . 0 "[ ]"
106 . 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 ASP N -135.00 75.00 -13.61 -13.61 -13.61 . . 0 "[ ]"
107 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 ALA N -55.00 65.00 -1.32 -1.32 -1.32 . . 0 "[ ]"
108 . 1 18 ALA N 1 18 ALA CA 1 18 ALA C 1 19 GLY N -85.00 85.00 5.05 5.05 5.05 . . 0 "[ ]"
109 . 1 19 GLY N 1 19 GLY CA 1 19 GLY C 1 20 ASP N -175.00 5.00 -118.99 -118.99 -118.99 . . 0 "[ ]"
110 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 LYS N -85.00 85.00 -20.57 -20.57 -20.57 . . 0 "[ ]"
111 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 LEU N 25.00 -165.00 160.40 160.40 160.40 . . 0 "[ ]"
112 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 VAL N 25.00 -165.00 144.48 144.48 144.48 . . 0 "[ ]"
113 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 VAL N 25.00 -155.00 140.89 140.89 140.89 . . 0 "[ ]"
114 . 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 PHE N -55.00 -105.00 89.35 89.35 89.35 . . 0 "[ ]"
115 . 1 27 PHE N 1 27 PHE CA 1 27 PHE C 1 28 SER N -25.00 -115.00 94.93 94.93 94.93 . . 0 "[ ]"
116 . 1 28 SER N 1 28 SER CA 1 28 SER C 1 29 ALA N 130.00 -130.00 -179.05 -179.05 -179.05 . . 0 "[ ]"
117 . 1 29 ALA N 1 29 ALA CA 1 29 ALA C 1 30 THR N 120.00 -140.00 131.39 131.39 131.39 . . 0 "[ ]"
118 . 1 33 GLY N 1 33 GLY CA 1 33 GLY C 1 34 PRO N -175.00 5.00 -68.48 -68.48 -68.48 . . 0 "[ ]"
119 . 1 34 PRO N 1 34 PRO CA 1 34 PRO C 1 35 CYS N -80.00 70.00 -30.87 -30.87 -30.87 . . 0 "[ ]"
120 . 1 35 CYS N 1 35 CYS CA 1 35 CYS C 1 36 LYS N -65.00 55.00 -36.12 -36.12 -36.12 . . 0 "[ ]"
121 . 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 MET N -90.00 10.00 5.26 5.26 5.26 . . 0 "[ ]"
122 . 1 37 MET N 1 37 MET CA 1 37 MET C 1 38 ILE N -85.00 -105.00 -17.58 -17.58 -17.58 . . 0 "[ ]"
123 . 1 38 ILE N 1 38 ILE CA 1 38 ILE C 1 39 LYS N -65.00 -165.00 9.53 9.53 9.53 . . 0 "[ ]"
124 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 PRO N -85.00 15.00 -42.79 -42.79 -42.79 . . 0 "[ ]"
125 . 1 40 PRO N 1 40 PRO CA 1 40 PRO C 1 41 PHE N -90.00 10.00 0.91 0.91 0.91 . . 0 "[ ]"
126 . 1 41 PHE N 1 41 PHE CA 1 41 PHE C 1 42 PHE N -60.00 40.00 -48.40 -48.40 -48.40 . . 0 "[ ]"
127 . 1 42 PHE N 1 42 PHE CA 1 42 PHE C 1 43 HIS N -100.00 0.00 -24.18 -24.18 -24.18 . . 0 "[ ]"
128 . 1 43 HIS N 1 43 HIS CA 1 43 HIS C 1 44 SER N -100.00 0.00 -12.15 -12.15 -12.15 . . 0 "[ ]"
129 . 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 LEU N -85.00 -105.00 -20.19 -20.19 -20.19 . . 0 "[ ]"
130 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 SER N -80.00 20.00 -8.67 -8.67 -8.67 . . 0 "[ ]"
131 . 1 46 SER N 1 46 SER CA 1 46 SER C 1 47 GLU N -95.00 5.00 -43.67 -43.67 -43.67 . . 0 "[ ]"
132 . 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 LYS N -105.00 75.00 -35.29 -35.29 -35.29 . . 0 "[ ]"
133 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 TYR N -95.00 45.00 -71.28 -71.28 -71.28 . . 0 "[ ]"
134 . 1 52 VAL N 1 52 VAL CA 1 52 VAL C 1 53 ILE N 25.00 -105.00 148.26 148.26 148.26 . . 0 "[ ]"
135 . 1 53 ILE N 1 53 ILE CA 1 53 ILE C 1 54 PHE N 25.00 -155.00 133.53 133.53 133.53 . . 0 "[ ]"
136 . 1 54 PHE N 1 54 PHE CA 1 54 PHE C 1 55 LEU N 25.00 -155.00 144.66 144.66 144.66 . . 0 "[ ]"
137 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 GLU N -25.00 -115.00 167.56 167.56 167.56 . . 0 "[ ]"
138 . 1 57 VAL N 1 57 VAL CA 1 57 VAL C 1 58 ASP N 25.00 -155.00 139.05 139.05 139.05 . . 0 "[ ]"
139 . 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 VAL N -5.00 175.00 110.68 110.68 110.68 . . 0 "[ ]"
140 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 ASP N -75.00 -115.00 17.60 17.60 17.60 . . 0 "[ ]"
141 . 1 60 ASP N 1 60 ASP CA 1 60 ASP C 1 61 ASP N -100.00 0.00 -45.81 -45.81 -45.81 . . 0 "[ ]"
142 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 CYS N -85.00 85.00 -3.68 -3.68 -3.68 . . 0 "[ ]"
143 . 1 62 CYS N 1 62 CYS CA 1 62 CYS C 1 63 GLN N -25.00 -115.00 43.55 43.55 43.55 . . 0 "[ ]"
144 . 1 63 GLN N 1 63 GLN CA 1 63 GLN C 1 64 ASP N -35.00 85.00 -21.52 -21.52 -21.52 . . 0 "[ ]"
145 . 1 64 ASP N 1 64 ASP CA 1 64 ASP C 1 65 VAL N -75.00 65.00 -42.09 -42.09 -42.09 . . 0 "[ ]"
146 . 1 68 GLU N 1 68 GLU CA 1 68 GLU C 1 69 CYS N -85.00 85.00 -32.38 -32.38 -32.38 . . 0 "[ ]"
147 . 1 69 CYS N 1 69 CYS CA 1 69 CYS C 1 70 GLU N -50.00 50.00 0.21 0.21 0.21 . . 0 "[ ]"
148 . 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 VAL N -55.00 -115.00 44.39 44.39 44.39 . . 0 "[ ]"
149 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 LYS N 25.00 -155.00 154.05 154.05 154.05 . . 0 "[ ]"
150 . 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 CYS N -85.00 45.00 22.71 22.71 22.71 . . 0 "[ ]"
151 . 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 PHE N 25.00 -105.00 121.64 121.64 121.64 . . 0 "[ ]"
152 . 1 77 PHE N 1 77 PHE CA 1 77 PHE C 1 78 GLN N 45.00 -165.00 134.62 134.62 134.62 . . 0 "[ ]"
153 . 1 78 GLN N 1 78 GLN CA 1 78 GLN C 1 79 PHE N 45.00 -165.00 153.70 153.70 153.70 . . 0 "[ ]"
154 . 1 79 PHE N 1 79 PHE CA 1 79 PHE C 1 80 PHE N 55.00 -155.00 116.06 116.06 116.06 . . 0 "[ ]"
155 . 1 80 PHE N 1 80 PHE CA 1 80 PHE C 1 81 LYS N 45.00 -155.00 144.08 144.08 144.08 . . 0 "[ ]"
156 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 LYS N 15.00 -105.00 127.35 127.35 127.35 . . 0 "[ ]"
157 . 1 85 LYS N 1 85 LYS CA 1 85 LYS C 1 86 VAL N 25.00 -165.00 137.86 137.86 137.86 . . 0 "[ ]"
158 . 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 GLY N -105.00 75.00 -24.46 -24.46 -24.46 . . 0 "[ ]"
159 . 1 87 GLY N 1 87 GLY CA 1 87 GLY C 1 88 GLU N 100.00 -160.00 151.79 151.79 151.79 . . 0 "[ ]"
160 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 PHE N 125.00 -115.00 124.28 124.28 124.28 0.72 1 0 "[ ]"
161 . 1 89 PHE N 1 89 PHE CA 1 89 PHE C 1 90 SER N -25.00 -115.00 135.26 135.26 135.26 . . 0 "[ ]"
162 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 GLY N 115.00 -145.00 170.22 170.22 170.22 . . 0 "[ ]"
163 . 1 91 GLY N 1 91 GLY CA 1 91 GLY C 1 92 ALA N 5.00 -175.00 141.59 141.59 141.59 . . 0 "[ ]"
164 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 ASN N 25.00 -165.00 70.09 70.09 70.09 . . 0 "[ ]"
165 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 GLU N -95.00 65.00 -54.33 -54.33 -54.33 . . 0 "[ ]"
166 . 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 LYS N -85.00 85.00 -18.39 -18.39 -18.39 . . 0 "[ ]"
167 . 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 LEU N -95.00 45.00 -44.00 -44.00 -44.00 . . 0 "[ ]"
168 . 1 98 GLU N 1 98 GLU CA 1 98 GLU C 1 99 ALA N -105.00 105.00 -72.77 -72.77 -72.77 . . 0 "[ ]"
169 . 1 101 ILE N 1 101 ILE CA 1 101 ILE C 1 102 ASN N -165.00 -25.00 -37.75 -37.75 -37.75 . . 0 "[ ]"
170 . 1 2 VAL N 1 2 VAL CA 1 2 VAL CB 1 2 VAL CG1 125.00 -155.00 -175.48 -175.48 -175.48 . . 0 "[ ]"
171 . 1 3 LYS N 1 3 LYS CA 1 3 LYS CB 1 3 LYS CG 140.00 -140.00 -167.92 -167.92 -167.92 . . 0 "[ ]"
172 . 1 4 GLN N 1 4 GLN CA 1 4 GLN CB 1 4 GLN CG 140.00 -140.00 173.81 173.81 173.81 . . 0 "[ ]"
173 . 1 5 ILE N 1 5 ILE CA 1 5 ILE CB 1 5 ILE CG1 -105.00 -25.00 -45.72 -45.72 -45.72 . . 0 "[ ]"
174 . 1 7 SER N 1 7 SER CA 1 7 SER CB 1 7 SER OG 40.00 80.00 64.02 64.02 64.02 . . 0 "[ ]"
175 . 1 8 LYS N 1 8 LYS CA 1 8 LYS CB 1 8 LYS CG 145.00 -175.00 177.73 177.73 177.73 . . 0 "[ ]"
176 . 1 9 THR N 1 9 THR CA 1 9 THR CB 1 9 THR OG1 -125.00 -35.00 -58.64 -58.64 -58.64 . . 0 "[ ]"
177 . 1 11 PHE N 1 11 PHE CA 1 11 PHE CB 1 11 PHE CG 150.00 -170.00 -176.92 -176.92 -176.92 . . 0 "[ ]"
178 . 1 15 LEU N 1 15 LEU CA 1 15 LEU CB 1 15 LEU CG -75.00 -35.00 -57.94 -57.94 -57.94 . . 0 "[ ]"
179 . 1 16 ASP N 1 16 ASP CA 1 16 ASP CB 1 16 ASP CG 155.00 -125.00 -160.61 -160.61 -160.61 . . 0 "[ ]"
180 . 1 20 ASP N 1 20 ASP CA 1 20 ASP CB 1 20 ASP CG 105.00 15.00 -7.09 -7.09 -7.09 . . 0 "[ ]"
181 . 1 21 LYS N 1 21 LYS CA 1 21 LYS CB 1 21 LYS CG -100.00 -20.00 -62.15 -62.15 -62.15 . . 0 "[ ]"
182 . 1 23 VAL N 1 23 VAL CA 1 23 VAL CB 1 23 VAL CG1 145.00 -145.00 -160.28 -160.28 -160.28 . . 0 "[ ]"
183 . 1 24 VAL N 1 24 VAL CA 1 24 VAL CB 1 24 VAL CG1 90.00 180.00 -179.03 -179.03 -179.03 0.97 1 0 "[ ]"
184 . 1 25 VAL N 1 25 VAL CA 1 25 VAL CB 1 25 VAL CG1 135.00 -135.00 -178.19 -178.19 -178.19 . . 0 "[ ]"
185 . 1 26 ASP N 1 26 ASP CA 1 26 ASP CB 1 26 ASP CG 140.00 -140.00 179.22 179.22 179.22 . . 0 "[ ]"
186 . 1 27 PHE N 1 27 PHE CA 1 27 PHE CB 1 27 PHE CG -85.00 -5.00 -75.26 -75.26 -75.26 . . 0 "[ ]"
187 . 1 30 THR N 1 30 THR CA 1 30 THR CB 1 30 THR OG1 135.00 -135.00 -167.81 -167.81 -167.81 . . 0 "[ ]"
188 . 1 31 TRP N 1 31 TRP CA 1 31 TRP CB 1 31 TRP CG 20.00 100.00 54.67 54.67 54.67 . . 0 "[ ]"
189 . 1 32 CYS N 1 32 CYS CA 1 32 CYS CB 1 32 CYS SG 140.00 -140.00 171.33 171.33 171.33 . . 0 "[ ]"
190 . 1 34 PRO N 1 34 PRO CA 1 34 PRO CB 1 34 PRO CG -50.00 -10.00 -10.20 -10.20 -10.20 . . 0 "[ ]"
191 . 1 35 CYS N 1 35 CYS CA 1 35 CYS CB 1 35 CYS SG -75.00 -35.00 -59.10 -59.10 -59.10 . . 0 "[ ]"
192 . 1 36 LYS N 1 36 LYS CA 1 36 LYS CB 1 36 LYS CG 135.00 -165.00 -173.54 -173.54 -173.54 . . 0 "[ ]"
193 . 1 38 ILE N 1 38 ILE CA 1 38 ILE CB 1 38 ILE CG1 -115.00 -15.00 -53.45 -53.45 -53.45 . . 0 "[ ]"
194 . 1 40 PRO N 1 40 PRO CA 1 40 PRO CB 1 40 PRO CG -35.00 5.00 -4.02 -4.02 -4.02 . . 0 "[ ]"
195 . 1 41 PHE N 1 41 PHE CA 1 41 PHE CB 1 41 PHE CG -75.00 5.00 -71.96 -71.96 -71.96 . . 0 "[ ]"
196 . 1 42 PHE N 1 42 PHE CA 1 42 PHE CB 1 42 PHE CG 155.00 -165.00 177.27 177.27 177.27 . . 0 "[ ]"
197 . 1 43 HIS N 1 43 HIS CA 1 43 HIS CB 1 43 HIS CG 145.00 -165.00 -163.87 -163.87 -163.87 1.13 1 0 "[ ]"
198 . 1 45 LEU N 1 45 LEU CA 1 45 LEU CB 1 45 LEU CG -75.00 -35.00 -49.49 -49.49 -49.49 . . 0 "[ ]"
199 . 1 46 SER N 1 46 SER CA 1 46 SER CB 1 46 SER OG 95.00 -95.00 -169.09 -169.09 -169.09 . . 0 "[ ]"
200 . 1 47 GLU N 1 47 GLU CA 1 47 GLU CB 1 47 GLU CG -80.00 -40.00 -58.38 -58.38 -58.38 . . 0 "[ ]"
201 . 1 48 LYS N 1 48 LYS CA 1 48 LYS CB 1 48 LYS CG 145.00 -135.00 -158.14 -158.14 -158.14 . . 0 "[ ]"
202 . 1 49 TYR N 1 49 TYR CA 1 49 TYR CB 1 49 TYR CG -100.00 -20.00 -79.36 -79.36 -79.36 . . 0 "[ ]"
203 . 1 50 SER N 1 50 SER CA 1 50 SER CB 1 50 SER OG 45.00 85.00 56.89 56.89 56.89 . . 0 "[ ]"
204 . 1 51 ASN N 1 51 ASN CA 1 51 ASN CB 1 51 ASN CG 165.00 -145.00 -168.31 -168.31 -168.31 . . 0 "[ ]"
205 . 1 52 VAL N 1 52 VAL CA 1 52 VAL CB 1 52 VAL CG1 145.00 -135.00 -173.89 -173.89 -173.89 . . 0 "[ ]"
206 . 1 53 ILE N 1 53 ILE CA 1 53 ILE CB 1 53 ILE CG1 155.00 -25.00 -66.35 -66.35 -66.35 . . 0 "[ ]"
207 . 1 54 PHE N 1 54 PHE CA 1 54 PHE CB 1 54 PHE CG -75.00 -35.00 -59.89 -59.89 -59.89 . . 0 "[ ]"
208 . 1 55 LEU N 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG -75.00 -35.00 -56.53 -56.53 -56.53 . . 0 "[ ]"
209 . 1 57 VAL N 1 57 VAL CA 1 57 VAL CB 1 57 VAL CG1 120.00 -120.00 -179.57 -179.57 -179.57 . . 0 "[ ]"
210 . 1 58 ASP N 1 58 ASP CA 1 58 ASP CB 1 58 ASP CG 155.00 -165.00 -167.69 -167.69 -167.69 . . 0 "[ ]"
211 . 1 59 VAL N 1 59 VAL CA 1 59 VAL CB 1 59 VAL CG1 -75.00 -35.00 -61.11 -61.11 -61.11 . . 0 "[ ]"
212 . 1 60 ASP N 1 60 ASP CA 1 60 ASP CB 1 60 ASP CG 145.00 -155.00 -168.70 -168.70 -168.70 . . 0 "[ ]"
213 . 1 61 ASP N 1 61 ASP CA 1 61 ASP CB 1 61 ASP CG 135.00 -165.00 172.73 172.73 172.73 . . 0 "[ ]"
214 . 1 64 ASP N 1 64 ASP CA 1 64 ASP CB 1 64 ASP CG 35.00 75.00 38.93 38.93 38.93 . . 0 "[ ]"
215 . 1 65 VAL N 1 65 VAL CA 1 65 VAL CB 1 65 VAL CG1 135.00 -135.00 -163.86 -163.86 -163.86 . . 0 "[ ]"
216 . 1 68 GLU N 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG 140.00 -140.00 -151.69 -151.69 -151.69 . . 0 "[ ]"
217 . 1 69 CYS N 1 69 CYS CA 1 69 CYS CB 1 69 CYS SG -80.00 -40.00 -67.24 -67.24 -67.24 . . 0 "[ ]"
218 . 1 71 VAL N 1 71 VAL CA 1 71 VAL CB 1 71 VAL CG1 135.00 -135.00 -145.64 -145.64 -145.64 . . 0 "[ ]"
219 . 1 72 LYS N 1 72 LYS CA 1 72 LYS CB 1 72 LYS CG 165.00 -45.00 -124.54 -124.54 -124.54 . . 0 "[ ]"
220 . 1 73 CYS N 1 73 CYS CA 1 73 CYS CB 1 73 CYS SG 35.00 75.00 45.44 45.44 45.44 . . 0 "[ ]"
221 . 1 74 THR N 1 74 THR CA 1 74 THR CB 1 74 THR OG1 35.00 95.00 43.82 43.82 43.82 . . 0 "[ ]"
222 . 1 75 PRO N 1 75 PRO CA 1 75 PRO CB 1 75 PRO CG -75.00 15.00 12.22 12.22 12.22 . . 0 "[ ]"
223 . 1 76 THR N 1 76 THR CA 1 76 THR CB 1 76 THR OG1 -115.00 -15.00 -72.95 -72.95 -72.95 . . 0 "[ ]"
224 . 1 77 PHE N 1 77 PHE CA 1 77 PHE CB 1 77 PHE CG -75.00 -25.00 -75.05 -75.05 -75.05 0.05 1 0 "[ ]"
225 . 1 79 PHE N 1 79 PHE CA 1 79 PHE CB 1 79 PHE CG -80.00 -30.00 -71.87 -71.87 -71.87 . . 0 "[ ]"
226 . 1 80 PHE N 1 80 PHE CA 1 80 PHE CB 1 80 PHE CG -85.00 -35.00 -74.33 -74.33 -74.33 . . 0 "[ ]"
227 . 1 81 LYS N 1 81 LYS CA 1 81 LYS CB 1 81 LYS CG 140.00 -140.00 -157.16 -157.16 -157.16 . . 0 "[ ]"
228 . 1 85 LYS N 1 85 LYS CA 1 85 LYS CB 1 85 LYS CG 140.00 -140.00 -167.40 -167.40 -167.40 . . 0 "[ ]"
229 . 1 86 VAL N 1 86 VAL CA 1 86 VAL CB 1 86 VAL CG1 -85.00 -25.00 -81.85 -81.85 -81.85 . . 0 "[ ]"
230 . 1 89 PHE N 1 89 PHE CA 1 89 PHE CB 1 89 PHE CG 30.00 90.00 87.59 87.59 87.59 . . 0 "[ ]"
231 . 1 90 SER N 1 90 SER CA 1 90 SER CB 1 90 SER OG 55.00 85.00 78.59 78.59 78.59 . . 0 "[ ]"
232 . 1 93 ASN N 1 93 ASN CA 1 93 ASN CB 1 93 ASN CG 165.00 -135.00 -155.12 -155.12 -155.12 . . 0 "[ ]"
233 . 1 96 LYS N 1 96 LYS CA 1 96 LYS CB 1 96 LYS CG 145.00 -175.00 -174.66 -174.66 -174.66 0.34 1 0 "[ ]"
234 . 1 97 LEU N 1 97 LEU CA 1 97 LEU CB 1 97 LEU CG -100.00 -20.00 -77.02 -77.02 -77.02 . . 0 "[ ]"
235 . 1 98 GLU N 1 98 GLU CA 1 98 GLU CB 1 98 GLU CG 140.00 -140.00 179.95 179.95 179.95 . . 0 "[ ]"
236 . 1 100 THR N 1 100 THR CA 1 100 THR CB 1 100 THR OG1 -85.00 -35.00 -48.93 -48.93 -48.93 . . 0 "[ ]"
237 . 1 101 ILE N 1 101 ILE CA 1 101 ILE CB 1 101 ILE CG1 -105.00 -35.00 -84.76 -84.76 -84.76 . . 0 "[ ]"
238 . 1 102 ASN N 1 102 ASN CA 1 102 ASN CB 1 102 ASN CG 140.00 -140.00 -155.21 -155.21 -155.21 . . 0 "[ ]"
239 . 1 103 GLU N 1 103 GLU CA 1 103 GLU CB 1 103 GLU CG 140.00 -140.00 -159.75 -159.75 -159.75 . . 0 "[ ]"
240 . 1 104 LEU N 1 104 LEU CA 1 104 LEU CB 1 104 LEU CG -100.00 -20.00 -34.44 -34.44 -34.44 . . 0 "[ ]"
241 . 1 105 VAL N 1 105 VAL CA 1 105 VAL CB 1 105 VAL CG1 0.00 120.00 67.79 67.79 67.79 . . 0 "[ ]"
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