NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
539786 |
2ls5   |
18411 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ls5
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 205
_TA_constraint_stats_list.Viol_count 324
_TA_constraint_stats_list.Viol_total 6993.47
_TA_constraint_stats_list.Viol_max 7.08
_TA_constraint_stats_list.Viol_rms 0.41
_TA_constraint_stats_list.Viol_average_all_restraints 0.09
_TA_constraint_stats_list.Viol_average_violations_only 1.08
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 5 TYR C 1 6 ILE N 1 6 ILE CA 1 6 ILE C -124.00 -64.00 -100.54 -115.58 -87.78 . . 0 "[ . 1 . 2]"
2 . 1 6 ILE N 1 6 ILE CA 1 6 ILE C 1 7 VAL N -42.00 18.00 -11.97 -11.97 -13.37 . . 0 "[ . 1 . 2]"
3 . 1 6 ILE C 1 7 VAL N 1 7 VAL CA 1 7 VAL C -155.00 -95.00 -103.75 -104.51 -110.30 1.16 8 0 "[ . 1 . 2]"
4 . 1 7 VAL N 1 7 VAL CA 1 7 VAL C 1 8 ARG N 132.00 -168.00 158.06 155.07 153.77 . . 0 "[ . 1 . 2]"
5 . 1 7 VAL C 1 8 ARG N 1 8 ARG CA 1 8 ARG C -147.00 -87.00 -122.70 -122.47 -125.47 . . 0 "[ . 1 . 2]"
6 . 1 8 ARG N 1 8 ARG CA 1 8 ARG C 1 9 ILE N 125.00 -175.00 165.92 151.17 -178.70 . . 0 "[ . 1 . 2]"
7 . 1 8 ARG C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -87.00 -27.00 -74.74 -83.16 -65.92 . . 0 "[ . 1 . 2]"
8 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 GLY N 105.00 165.00 125.63 110.70 140.13 . . 0 "[ . 1 . 2]"
9 . 1 9 ILE C 1 10 GLY N 1 10 GLY CA 1 10 GLY C 69.00 129.00 100.54 107.63 103.16 . . 0 "[ . 1 . 2]"
10 . 1 10 GLY N 1 10 GLY CA 1 10 GLY C 1 11 GLU N -48.00 12.00 -12.54 -27.27 5.01 . . 0 "[ . 1 . 2]"
11 . 1 10 GLY C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -120.00 -60.00 -81.58 -86.37 -89.25 . . 0 "[ . 1 . 2]"
12 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 MET N 131.00 -169.00 154.55 154.67 153.37 . . 0 "[ . 1 . 2]"
13 . 1 11 GLU C 1 12 MET N 1 12 MET CA 1 12 MET C -125.00 -65.00 -77.39 -98.80 -65.76 . . 0 "[ . 1 . 2]"
14 . 1 12 MET N 1 12 MET CA 1 12 MET C 1 13 ALA N 99.00 159.00 131.48 111.90 146.43 . . 0 "[ . 1 . 2]"
15 . 1 12 MET C 1 13 ALA N 1 13 ALA CA 1 13 ALA C -110.00 -50.00 -68.41 -68.72 -69.99 . . 0 "[ . 1 . 2]"
16 . 1 13 ALA N 1 13 ALA CA 1 13 ALA C 1 14 PRO N 110.00 170.00 130.61 123.01 140.72 . . 0 "[ . 1 . 2]"
17 . 1 13 ALA C 1 14 PRO N 1 14 PRO CA 1 14 PRO C -96.00 -36.00 -63.14 -62.44 -63.24 . . 0 "[ . 1 . 2]"
18 . 1 14 PRO N 1 14 PRO CA 1 14 PRO C 1 15 ASP N 114.00 174.00 134.47 113.54 174.58 0.58 18 0 "[ . 1 . 2]"
19 . 1 14 PRO C 1 15 ASP N 1 15 ASP CA 1 15 ASP C -124.00 -64.00 -75.46 -82.82 -90.96 0.99 14 0 "[ . 1 . 2]"
20 . 1 16 PHE N 1 16 PHE CA 1 16 PHE C 1 17 THR N 117.00 177.00 160.52 166.52 166.00 . . 0 "[ . 1 . 2]"
21 . 1 16 PHE C 1 17 THR N 1 17 THR CA 1 17 THR C -156.00 -96.00 -122.51 -129.35 -131.17 . . 0 "[ . 1 . 2]"
22 . 1 17 THR N 1 17 THR CA 1 17 THR C 1 18 ILE N 100.00 160.00 106.06 107.12 106.43 1.21 14 0 "[ . 1 . 2]"
23 . 1 17 THR C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -156.00 -96.00 -106.12 -106.80 -107.81 0.40 14 0 "[ . 1 . 2]"
24 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 THR N 100.00 160.00 145.74 144.51 143.27 . . 0 "[ . 1 . 2]"
25 . 1 18 ILE C 1 19 THR N 1 19 THR CA 1 19 THR C -117.00 -57.00 -90.94 -85.33 -85.39 . . 0 "[ . 1 . 2]"
26 . 1 19 THR N 1 19 THR CA 1 19 THR C 1 20 LEU N 95.00 155.00 124.84 129.41 128.20 . . 0 "[ . 1 . 2]"
27 . 1 23 GLY C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -108.00 -48.00 -85.64 -108.16 -108.40 0.88 16 0 "[ . 1 . 2]"
28 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 GLN N 71.00 -157.00 125.45 151.89 136.48 . . 0 "[ . 1 . 2]"
29 . 1 24 LYS C 1 25 GLN N 1 25 GLN CA 1 25 GLN C -149.00 -89.00 -98.53 -136.09 -87.52 1.48 8 0 "[ . 1 . 2]"
30 . 1 25 GLN N 1 25 GLN CA 1 25 GLN C 1 26 VAL N 114.00 174.00 117.27 120.37 118.47 0.88 11 0 "[ . 1 . 2]"
31 . 1 25 GLN C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -163.00 -103.00 -117.95 -114.96 -116.91 . . 0 "[ . 1 . 2]"
32 . 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 THR N 101.00 161.00 143.27 143.77 133.25 . . 0 "[ . 1 . 2]"
33 . 1 26 VAL C 1 27 THR N 1 27 THR CA 1 27 THR C -122.00 -62.00 -106.91 -122.61 -82.41 0.61 2 0 "[ . 1 . 2]"
34 . 1 27 THR N 1 27 THR CA 1 27 THR C 1 28 LEU N 112.00 172.00 145.73 143.42 143.30 . . 0 "[ . 1 . 2]"
35 . 1 33 GLY C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -116.00 -56.00 -114.07 -117.45 -96.06 1.45 18 0 "[ . 1 . 2]"
36 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 VAL N 129.00 -171.00 164.77 155.24 174.74 . . 0 "[ . 1 . 2]"
37 . 1 34 LYS C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -126.00 -66.00 -78.81 -84.64 -70.45 . . 0 "[ . 1 . 2]"
38 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 VAL N 100.00 160.00 120.85 115.88 114.20 . . 0 "[ . 1 . 2]"
39 . 1 35 VAL C 1 36 VAL N 1 36 VAL CA 1 36 VAL C -151.00 -91.00 -112.14 -108.60 -110.25 . . 0 "[ . 1 . 2]"
40 . 1 36 VAL N 1 36 VAL CA 1 36 VAL C 1 37 MET N 102.00 162.00 119.32 120.60 115.32 . . 0 "[ . 1 . 2]"
41 . 1 36 VAL C 1 37 MET N 1 37 MET CA 1 37 MET C -152.00 -92.00 -101.84 -113.15 -91.68 0.32 20 0 "[ . 1 . 2]"
42 . 1 37 MET N 1 37 MET CA 1 37 MET C 1 38 LEU N 105.00 165.00 123.62 117.05 115.32 . . 0 "[ . 1 . 2]"
43 . 1 37 MET C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -146.00 -86.00 -116.46 -104.66 -107.88 . . 0 "[ . 1 . 2]"
44 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 GLN N 95.00 155.00 121.25 110.87 108.58 0.22 6 0 "[ . 1 . 2]"
45 . 1 38 LEU C 1 39 GLN N 1 39 GLN CA 1 39 GLN C -138.00 -78.00 -114.96 -139.50 -91.10 1.50 10 0 "[ . 1 . 2]"
46 . 1 39 GLN N 1 39 GLN CA 1 39 GLN C 1 40 PHE N 90.00 150.00 124.71 106.14 148.54 . . 0 "[ . 1 . 2]"
47 . 1 39 GLN C 1 40 PHE N 1 40 PHE CA 1 40 PHE C -130.00 -70.00 -96.24 -99.70 -101.45 . . 0 "[ . 1 . 2]"
48 . 1 40 PHE N 1 40 PHE CA 1 40 PHE C 1 41 THR N 103.00 163.00 116.51 109.64 107.14 . . 0 "[ . 1 . 2]"
49 . 1 40 PHE C 1 41 THR N 1 41 THR CA 1 41 THR C -165.00 -105.00 -131.33 -127.82 -129.41 . . 0 "[ . 1 . 2]"
50 . 1 41 THR N 1 41 THR CA 1 41 THR C 1 42 ALA N 134.00 -166.00 -178.44 -174.62 -174.92 . . 0 "[ . 1 . 2]"
51 . 1 41 THR C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -175.00 -47.00 -157.00 -172.16 -135.54 . . 0 "[ . 1 . 2]"
52 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 SER N 112.00 172.00 149.64 151.65 147.12 0.55 20 0 "[ . 1 . 2]"
53 . 1 45 CYS C 1 46 GLY N 1 46 GLY CA 1 46 GLY C -93.00 -33.00 -77.75 -79.01 -83.41 0.56 16 0 "[ . 1 . 2]"
54 . 1 46 GLY N 1 46 GLY CA 1 46 GLY C 1 47 VAL N -57.00 3.00 -26.04 -28.48 -31.25 . . 0 "[ . 1 . 2]"
55 . 1 46 GLY C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -97.00 -37.00 -67.16 -64.56 -65.11 . . 0 "[ . 1 . 2]"
56 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 CYS N -70.00 -10.00 -39.23 -46.52 -32.48 . . 0 "[ . 1 . 2]"
57 . 1 47 VAL C 1 48 CYS N 1 48 CYS CA 1 48 CYS C -92.00 -32.00 -65.92 -72.32 -54.75 . . 0 "[ . 1 . 2]"
58 . 1 48 CYS N 1 48 CYS CA 1 48 CYS C 1 49 ARG N -77.00 -17.00 -19.03 -32.59 -14.85 2.15 17 0 "[ . 1 . 2]"
59 . 1 48 CYS C 1 49 ARG N 1 49 ARG CA 1 49 ARG C -93.00 -33.00 -73.83 -75.56 -77.60 . . 0 "[ . 1 . 2]"
60 . 1 49 ARG N 1 49 ARG CA 1 49 ARG C 1 50 LYS N -64.00 -4.00 -5.20 -11.98 -1.91 2.09 12 0 "[ . 1 . 2]"
61 . 1 49 ARG C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -104.00 -44.00 -93.80 -90.16 -94.02 1.30 6 0 "[ . 1 . 2]"
62 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 GLU N -66.00 -6.00 -51.72 -58.01 -43.29 . . 0 "[ . 1 . 2]"
63 . 1 50 LYS C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -99.00 -39.00 -62.51 -75.00 -52.43 . . 0 "[ . 1 . 2]"
64 . 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 MET N -63.00 -3.00 -48.37 -62.75 -63.32 2.25 18 0 "[ . 1 . 2]"
65 . 1 51 GLU C 1 52 MET N 1 52 MET CA 1 52 MET C -83.00 -23.00 -56.98 -56.29 -57.37 . . 0 "[ . 1 . 2]"
66 . 1 52 MET N 1 52 MET CA 1 52 MET C 1 53 PRO N -80.00 -20.00 -54.18 -65.03 -39.77 . . 0 "[ . 1 . 2]"
67 . 1 52 MET C 1 53 PRO N 1 53 PRO CA 1 53 PRO C -89.00 -29.00 -59.45 -69.86 -53.90 . . 0 "[ . 1 . 2]"
68 . 1 53 PRO N 1 53 PRO CA 1 53 PRO C 1 54 PHE N -63.00 -3.00 -38.14 -37.18 -37.96 . . 0 "[ . 1 . 2]"
69 . 1 53 PRO C 1 54 PHE N 1 54 PHE CA 1 54 PHE C -95.00 -35.00 -67.08 -67.04 -67.21 . . 0 "[ . 1 . 2]"
70 . 1 54 PHE N 1 54 PHE CA 1 54 PHE C 1 55 ILE N -68.00 -8.00 -43.84 -42.79 -43.73 . . 0 "[ . 1 . 2]"
71 . 1 54 PHE C 1 55 ILE N 1 55 ILE CA 1 55 ILE C -97.00 -37.00 -58.47 -62.13 -54.50 . . 0 "[ . 1 . 2]"
72 . 1 55 ILE N 1 55 ILE CA 1 55 ILE C 1 56 GLU N -73.00 -13.00 -49.12 -57.48 -37.49 . . 0 "[ . 1 . 2]"
73 . 1 55 ILE C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -93.00 -33.00 -60.25 -68.42 -49.05 . . 0 "[ . 1 . 2]"
74 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 LYS N -70.00 -10.00 -45.76 -44.52 -48.69 . . 0 "[ . 1 . 2]"
75 . 1 56 GLU C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -96.00 -36.00 -63.95 -72.66 -54.60 . . 0 "[ . 1 . 2]"
76 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 ASP N -66.00 -6.00 -52.23 -61.70 -41.52 . . 0 "[ . 1 . 2]"
77 . 1 57 LYS C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -106.00 -46.00 -105.13 -108.15 -87.13 2.15 2 0 "[ . 1 . 2]"
78 . 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 ILE N -65.00 -5.00 -27.09 -65.65 -5.26 0.65 19 0 "[ . 1 . 2]"
79 . 1 58 ASP C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -104.00 -44.00 -92.03 -95.21 -101.99 2.50 14 0 "[ . 1 . 2]"
80 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 TRP N -69.00 -9.00 -55.41 -55.44 -56.72 . . 0 "[ . 1 . 2]"
81 . 1 59 ILE C 1 60 TRP N 1 60 TRP CA 1 60 TRP C -92.00 -32.00 -68.21 -81.66 -59.89 . . 0 "[ . 1 . 2]"
82 . 1 60 TRP N 1 60 TRP CA 1 60 TRP C 1 61 LEU N -80.00 -20.00 -64.63 -77.43 -48.29 . . 0 "[ . 1 . 2]"
83 . 1 60 TRP C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -94.00 -34.00 -49.81 -50.98 -53.47 . . 0 "[ . 1 . 2]"
84 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 LYS N -69.00 -9.00 -30.88 -43.66 -16.57 . . 0 "[ . 1 . 2]"
85 . 1 61 LEU C 1 62 LYS N 1 62 LYS CA 1 62 LYS C -91.00 -31.00 -80.82 -91.60 -67.47 0.60 11 0 "[ . 1 . 2]"
86 . 1 62 LYS N 1 62 LYS CA 1 62 LYS C 1 63 HIS N -65.00 -5.00 -33.24 -38.30 -53.15 . . 0 "[ . 1 . 2]"
87 . 1 62 LYS C 1 63 HIS N 1 63 HIS CA 1 63 HIS C -131.00 -71.00 -124.32 -131.57 -105.83 0.57 9 0 "[ . 1 . 2]"
88 . 1 63 HIS N 1 63 HIS CA 1 63 HIS C 1 64 LYS N -40.00 20.00 -25.76 -47.08 24.76 7.08 7 2 "[ . + 1 -. 2]"
89 . 1 68 ASP C 1 69 PHE N 1 69 PHE CA 1 69 PHE C -162.00 -102.00 -120.34 -106.36 -110.67 1.50 2 0 "[ . 1 . 2]"
90 . 1 69 PHE N 1 69 PHE CA 1 69 PHE C 1 70 ALA N 103.00 163.00 134.47 108.46 155.17 . . 0 "[ . 1 . 2]"
91 . 1 69 PHE C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -172.00 -112.00 -133.33 -124.97 -130.22 0.25 5 0 "[ . 1 . 2]"
92 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 LEU N 105.00 165.00 128.56 104.37 143.88 0.63 5 0 "[ . 1 . 2]"
93 . 1 70 ALA C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -158.00 -98.00 -130.05 -117.46 -129.41 . . 0 "[ . 1 . 2]"
94 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 ILE N 115.00 175.00 118.34 118.67 117.74 0.39 7 0 "[ . 1 . 2]"
95 . 1 71 LEU C 1 72 ILE N 1 72 ILE CA 1 72 ILE C -157.00 -97.00 -126.19 -126.79 -128.15 . . 0 "[ . 1 . 2]"
96 . 1 72 ILE N 1 72 ILE CA 1 72 ILE C 1 73 GLY N 102.00 162.00 124.65 115.84 131.31 . . 0 "[ . 1 . 2]"
97 . 1 72 ILE C 1 73 GLY N 1 73 GLY CA 1 73 GLY C -149.00 -89.00 -91.67 -92.69 -94.81 1.42 18 0 "[ . 1 . 2]"
98 . 1 73 GLY N 1 73 GLY CA 1 73 GLY C 1 74 ILE N 101.00 161.00 127.68 133.83 133.73 . . 0 "[ . 1 . 2]"
99 . 1 73 GLY C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -119.00 -59.00 -114.33 -120.80 -101.65 1.80 2 0 "[ . 1 . 2]"
100 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 ASP N 90.00 150.00 118.00 100.91 141.64 . . 0 "[ . 1 . 2]"
101 . 1 74 ILE C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -173.00 -45.00 -86.51 -82.59 -84.52 . . 0 "[ . 1 . 2]"
102 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 ARG N 87.00 147.00 134.42 118.34 144.85 . . 0 "[ . 1 . 2]"
103 . 1 79 PRO C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -80.00 -20.00 -55.10 -54.63 -56.25 . . 0 "[ . 1 . 2]"
104 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 GLU N -76.00 -16.00 -55.89 -53.97 -55.27 . . 0 "[ . 1 . 2]"
105 . 1 80 LEU C 1 81 GLU N 1 81 GLU CA 1 81 GLU C -91.00 -31.00 -61.17 -67.61 -50.52 . . 0 "[ . 1 . 2]"
106 . 1 81 GLU N 1 81 GLU CA 1 81 GLU C 1 82 LYS N -71.00 -11.00 -33.13 -30.79 -33.43 . . 0 "[ . 1 . 2]"
107 . 1 81 GLU C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -95.00 -35.00 -65.14 -82.61 -58.86 . . 0 "[ . 1 . 2]"
108 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 VAL N -73.00 -13.00 -53.21 -51.07 -52.66 . . 0 "[ . 1 . 2]"
109 . 1 82 LYS C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -91.00 -31.00 -57.72 -56.53 -57.53 . . 0 "[ . 1 . 2]"
110 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 LEU N -75.00 -15.00 -46.83 -52.75 -41.52 . . 0 "[ . 1 . 2]"
111 . 1 83 VAL C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -89.00 -29.00 -64.16 -69.28 -58.52 . . 0 "[ . 1 . 2]"
112 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 ALA N -69.00 -9.00 -40.54 -40.43 -42.36 . . 0 "[ . 1 . 2]"
113 . 1 84 LEU C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -99.00 -39.00 -73.05 -99.84 -61.28 0.84 7 0 "[ . 1 . 2]"
114 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 PHE N -69.00 -9.00 -35.42 -26.59 -27.62 . . 0 "[ . 1 . 2]"
115 . 1 85 ALA C 1 86 PHE N 1 86 PHE CA 1 86 PHE C -103.00 -43.00 -71.21 -84.85 -64.63 . . 0 "[ . 1 . 2]"
116 . 1 86 PHE N 1 86 PHE CA 1 86 PHE C 1 87 ALA N -61.00 -1.00 -44.70 -48.94 -52.49 . . 0 "[ . 1 . 2]"
117 . 1 86 PHE C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -94.00 -34.00 -59.12 -53.34 -54.63 . . 0 "[ . 1 . 2]"
118 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 LYS N -69.00 -9.00 -49.23 -56.01 -32.18 . . 0 "[ . 1 . 2]"
119 . 1 94 TYR C 1 95 PRO N 1 95 PRO CA 1 95 PRO C -93.00 -33.00 -63.54 -70.50 -60.06 . . 0 "[ . 1 . 2]"
120 . 1 95 PRO N 1 95 PRO CA 1 95 PRO C 1 96 LEU N 115.00 175.00 137.12 135.89 134.83 . . 0 "[ . 1 . 2]"
121 . 1 95 PRO C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -151.00 -91.00 -109.17 -106.23 -109.31 . . 0 "[ . 1 . 2]"
122 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 GLY N 127.00 -173.00 149.61 144.63 142.07 . . 0 "[ . 1 . 2]"
123 . 1 97 GLY C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -138.00 -78.00 -103.42 -121.60 -86.74 . . 0 "[ . 1 . 2]"
124 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 ASP N 118.00 178.00 133.92 129.62 127.09 . . 0 "[ . 1 . 2]"
125 . 1 98 LEU C 1 99 ASP N 1 99 ASP CA 1 99 ASP C -146.00 -86.00 -119.96 -109.84 -115.23 . . 0 "[ . 1 . 2]"
126 . 1 99 ASP N 1 99 ASP CA 1 99 ASP C 1 100 PRO N 34.00 174.00 76.63 78.95 76.10 . . 0 "[ . 1 . 2]"
127 . 1 102 ALA C 1 103 ASP N 1 103 ASP CA 1 103 ASP C -99.00 -39.00 -81.27 -91.08 -70.94 . . 0 "[ . 1 . 2]"
128 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C 1 104 ILE N -66.00 -6.00 -48.18 -29.08 -39.55 . . 0 "[ . 1 . 2]"
129 . 1 103 ASP C 1 104 ILE N 1 104 ILE CA 1 104 ILE C -96.00 -36.00 -65.42 -70.04 -61.76 . . 0 "[ . 1 . 2]"
130 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C 1 105 PHE N -73.00 -13.00 -35.39 -40.09 -30.62 . . 0 "[ . 1 . 2]"
131 . 1 104 ILE C 1 105 PHE N 1 105 PHE CA 1 105 PHE C -92.00 -32.00 -62.94 -61.50 -62.50 . . 0 "[ . 1 . 2]"
132 . 1 105 PHE N 1 105 PHE CA 1 105 PHE C 1 106 ALA N -74.00 -14.00 -40.15 -40.14 -40.39 . . 0 "[ . 1 . 2]"
133 . 1 105 PHE C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -103.70 -43.70 -69.08 -69.00 -69.83 . . 0 "[ . 1 . 2]"
134 . 1 106 ALA N 1 106 ALA CA 1 106 ALA C 1 107 LYS N -54.90 5.10 -21.93 -32.32 -14.72 . . 0 "[ . 1 . 2]"
135 . 1 106 ALA C 1 107 LYS N 1 107 LYS CA 1 107 LYS C -102.00 -42.00 -73.83 -74.83 -77.16 . . 0 "[ . 1 . 2]"
136 . 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 TYR N -64.00 -4.00 -11.00 -4.79 -6.70 2.22 18 0 "[ . 1 . 2]"
137 . 1 116 THR C 1 117 ARG N 1 117 ARG CA 1 117 ARG C 167.00 -133.00 -153.94 -151.70 -157.61 . . 0 "[ . 1 . 2]"
138 . 1 117 ARG N 1 117 ARG CA 1 117 ARG C 1 118 ASN N 133.00 -167.00 140.61 131.15 154.44 1.85 20 0 "[ . 1 . 2]"
139 . 1 117 ARG C 1 118 ASN N 1 118 ASN CA 1 118 ASN C -163.00 -103.00 -112.74 -127.60 -102.30 0.70 17 0 "[ . 1 . 2]"
140 . 1 118 ASN N 1 118 ASN CA 1 118 ASN C 1 119 VAL N 120.00 180.00 123.13 117.14 142.69 2.86 20 0 "[ . 1 . 2]"
141 . 1 118 ASN C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -160.00 -100.00 -115.45 -129.28 -101.54 . . 0 "[ . 1 . 2]"
142 . 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 LEU N 101.00 161.00 120.49 116.93 113.10 . . 0 "[ . 1 . 2]"
143 . 1 119 VAL C 1 120 LEU N 1 120 LEU CA 1 120 LEU C -149.00 -89.00 -107.45 -126.49 -88.75 0.25 11 0 "[ . 1 . 2]"
144 . 1 120 LEU N 1 120 LEU CA 1 120 LEU C 1 121 ILE N 95.00 155.00 120.03 127.02 123.89 . . 0 "[ . 1 . 2]"
145 . 1 120 LEU C 1 121 ILE N 1 121 ILE CA 1 121 ILE C -149.00 -89.00 -101.86 -114.52 -91.44 . . 0 "[ . 1 . 2]"
146 . 1 121 ILE N 1 121 ILE CA 1 121 ILE C 1 122 ASP N 109.00 169.00 134.10 139.02 137.63 . . 0 "[ . 1 . 2]"
147 . 1 124 GLU C 1 125 GLY N 1 125 GLY CA 1 125 GLY C 60.00 120.00 105.09 76.15 122.51 2.51 12 0 "[ . 1 . 2]"
148 . 1 125 GLY N 1 125 GLY CA 1 125 GLY C 1 126 LYS N -20.00 40.00 13.76 3.92 31.36 . . 0 "[ . 1 . 2]"
149 . 1 125 GLY C 1 126 LYS N 1 126 LYS CA 1 126 LYS C -140.00 0.00 -101.05 -101.24 -102.58 . . 0 "[ . 1 . 2]"
150 . 1 126 LYS N 1 126 LYS CA 1 126 LYS C 1 127 ILE N 75.00 -145.00 149.03 157.62 156.09 . . 0 "[ . 1 . 2]"
151 . 1 126 LYS C 1 127 ILE N 1 127 ILE CA 1 127 ILE C -108.00 -48.00 -85.19 -95.79 -70.53 . . 0 "[ . 1 . 2]"
152 . 1 127 ILE N 1 127 ILE CA 1 127 ILE C 1 128 VAL N 100.00 160.00 116.61 119.08 116.44 0.80 19 0 "[ . 1 . 2]"
153 . 1 127 ILE C 1 128 VAL N 1 128 VAL CA 1 128 VAL C -137.00 -77.00 -108.97 -126.07 -94.17 . . 0 "[ . 1 . 2]"
154 . 1 128 VAL N 1 128 VAL CA 1 128 VAL C 1 129 LYS N -45.00 15.00 -15.33 -23.61 -29.20 . . 0 "[ . 1 . 2]"
155 . 1 128 VAL C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -175.00 -115.00 -144.28 -166.57 -124.66 . . 0 "[ . 1 . 2]"
156 . 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 LEU N 109.00 169.00 117.37 115.84 114.27 0.76 5 0 "[ . 1 . 2]"
157 . 1 129 LYS C 1 130 LEU N 1 130 LEU CA 1 130 LEU C -151.00 -91.00 -115.36 -141.28 -97.46 . . 0 "[ . 1 . 2]"
158 . 1 130 LEU N 1 130 LEU CA 1 130 LEU C 1 131 THR N 106.00 166.00 110.44 104.39 128.91 1.61 9 0 "[ . 1 . 2]"
159 . 1 130 LEU C 1 131 THR N 1 131 THR CA 1 131 THR C -146.80 -86.80 -114.03 -147.15 -88.98 0.35 13 0 "[ . 1 . 2]"
160 . 1 131 THR N 1 131 THR CA 1 131 THR C 1 132 ARG N 101.10 161.10 147.71 125.33 164.08 2.98 5 0 "[ . 1 . 2]"
161 . 1 131 THR C 1 132 ARG N 1 132 ARG CA 1 132 ARG C -146.00 -86.00 -105.53 -127.27 -88.03 . . 0 "[ . 1 . 2]"
162 . 1 132 ARG N 1 132 ARG CA 1 132 ARG C 1 133 LEU N 109.00 169.00 120.82 150.61 133.12 5.35 19 1 "[ . 1 . +2]"
163 . 1 135 ASN C 1 136 GLU N 1 136 GLU CA 1 136 GLU C -88.00 -28.00 -51.54 -79.14 -38.26 . . 0 "[ . 1 . 2]"
164 . 1 136 GLU N 1 136 GLU CA 1 136 GLU C 1 137 GLU N -67.00 -7.00 -57.46 -59.34 -61.21 1.13 20 0 "[ . 1 . 2]"
165 . 1 136 GLU C 1 137 GLU N 1 137 GLU CA 1 137 GLU C -94.00 -34.00 -64.38 -60.95 -61.81 . . 0 "[ . 1 . 2]"
166 . 1 137 GLU N 1 137 GLU CA 1 137 GLU C 1 138 GLU N -71.00 -11.00 -42.83 -36.24 -39.59 . . 0 "[ . 1 . 2]"
167 . 1 137 GLU C 1 138 GLU N 1 138 GLU CA 1 138 GLU C -94.00 -34.00 -64.15 -71.54 -57.30 . . 0 "[ . 1 . 2]"
168 . 1 138 GLU N 1 138 GLU CA 1 138 GLU C 1 139 PHE N -71.00 -11.00 -41.01 -49.78 -23.38 . . 0 "[ . 1 . 2]"
169 . 1 138 GLU C 1 139 PHE N 1 139 PHE CA 1 139 PHE C -96.00 -36.00 -65.68 -61.77 -63.23 . . 0 "[ . 1 . 2]"
170 . 1 139 PHE N 1 139 PHE CA 1 139 PHE C 1 140 ALA N -72.00 -12.00 -42.19 -40.39 -41.06 . . 0 "[ . 1 . 2]"
171 . 1 139 PHE C 1 140 ALA N 1 140 ALA CA 1 140 ALA C -94.00 -34.00 -59.54 -63.46 -55.66 . . 0 "[ . 1 . 2]"
172 . 1 140 ALA N 1 140 ALA CA 1 140 ALA C 1 141 SER N -73.00 -13.00 -45.41 -46.44 -47.92 . . 0 "[ . 1 . 2]"
173 . 1 140 ALA C 1 141 SER N 1 141 SER CA 1 141 SER C -97.00 -37.00 -63.43 -64.50 -65.35 . . 0 "[ . 1 . 2]"
174 . 1 141 SER N 1 141 SER CA 1 141 SER C 1 142 LEU N -66.00 -6.00 -38.12 -46.00 -29.26 . . 0 "[ . 1 . 2]"
175 . 1 141 SER C 1 142 LEU N 1 142 LEU CA 1 142 LEU C -93.00 -33.00 -64.36 -80.19 -57.55 . . 0 "[ . 1 . 2]"
176 . 1 142 LEU N 1 142 LEU CA 1 142 LEU C 1 143 VAL N -73.00 -13.00 -47.21 -46.62 -47.97 . . 0 "[ . 1 . 2]"
177 . 1 142 LEU C 1 143 VAL N 1 143 VAL CA 1 143 VAL C -93.00 -33.00 -58.10 -56.75 -57.66 . . 0 "[ . 1 . 2]"
178 . 1 143 VAL N 1 143 VAL CA 1 143 VAL C 1 144 GLN N -71.00 -11.00 -48.58 -59.41 -38.34 . . 0 "[ . 1 . 2]"
179 . 1 143 VAL C 1 144 GLN N 1 144 GLN CA 1 144 GLN C -90.00 -30.00 -62.38 -67.54 -57.59 . . 0 "[ . 1 . 2]"
180 . 1 144 GLN N 1 144 GLN CA 1 144 GLN C 1 145 GLN N -72.00 -12.00 -42.59 -41.72 -42.85 . . 0 "[ . 1 . 2]"
181 . 1 144 GLN C 1 145 GLN N 1 145 GLN CA 1 145 GLN C -96.00 -36.00 -59.79 -59.97 -61.02 . . 0 "[ . 1 . 2]"
182 . 1 145 GLN N 1 145 GLN CA 1 145 GLN C 1 146 ILE N -69.00 -9.00 -46.29 -53.56 -36.88 . . 0 "[ . 1 . 2]"
183 . 1 145 GLN C 1 146 ILE N 1 146 ILE CA 1 146 ILE C -92.00 -32.00 -59.51 -67.87 -51.83 . . 0 "[ . 1 . 2]"
184 . 1 146 ILE N 1 146 ILE CA 1 146 ILE C 1 147 ASN N -77.00 -17.00 -44.05 -44.69 -46.27 . . 0 "[ . 1 . 2]"
185 . 1 146 ILE C 1 147 ASN N 1 147 ASN CA 1 147 ASN C -89.00 -29.00 -55.52 -62.29 -48.92 . . 0 "[ . 1 . 2]"
186 . 1 147 ASN N 1 147 ASN CA 1 147 ASN C 1 148 GLU N -70.00 -10.00 -43.74 -58.81 -31.23 . . 0 "[ . 1 . 2]"
187 . 1 147 ASN C 1 148 GLU N 1 148 GLU CA 1 148 GLU C -96.00 -36.00 -72.43 -88.14 -64.18 . . 0 "[ . 1 . 2]"
188 . 1 148 GLU N 1 148 GLU CA 1 148 GLU C 1 149 MET N -71.00 -11.00 -31.56 -26.62 -29.01 0.21 12 0 "[ . 1 . 2]"
189 . 1 148 GLU C 1 149 MET N 1 149 MET CA 1 149 MET C -97.00 -37.00 -64.24 -78.39 -57.31 . . 0 "[ . 1 . 2]"
190 . 1 149 MET N 1 149 MET CA 1 149 MET C 1 150 LEU N -72.00 -12.00 -30.40 -32.10 -33.88 . . 0 "[ . 1 . 2]"
191 . 1 149 MET C 1 150 LEU N 1 150 LEU CA 1 150 LEU C -99.00 -39.00 -80.21 -95.71 -60.80 . . 0 "[ . 1 . 2]"
192 . 1 150 LEU N 1 150 LEU CA 1 150 LEU C 1 151 LYS N -55.00 5.00 -14.25 -20.63 -22.30 . . 0 "[ . 1 . 2]"
193 . 1 150 LEU C 1 151 LYS N 1 151 LYS CA 1 151 LYS C -101.00 -41.00 -96.76 -103.50 -76.10 2.50 10 0 "[ . 1 . 2]"
194 . 1 151 LYS N 1 151 LYS CA 1 151 LYS C 1 152 GLU N -64.00 -4.00 -42.62 -51.46 -51.61 3.20 13 0 "[ . 1 . 2]"
195 . 1 5 TYR CA 1 5 TYR CB 1 5 TYR CG 1 5 TYR CD1 80.00 100.00 90.86 86.21 80.27 1.82 3 0 "[ . 1 . 2]"
196 . 1 16 PHE CA 1 16 PHE CB 1 16 PHE CG 1 16 PHE CD1 80.00 100.00 85.72 80.21 91.89 . . 0 "[ . 1 . 2]"
197 . 1 40 PHE CA 1 40 PHE CB 1 40 PHE CG 1 40 PHE CD1 80.00 100.00 92.98 81.30 100.16 0.16 9 0 "[ . 1 . 2]"
198 . 1 54 PHE CA 1 54 PHE CB 1 54 PHE CG 1 54 PHE CD1 80.00 100.00 80.92 77.61 89.19 2.39 7 0 "[ . 1 . 2]"
199 . 1 69 PHE CA 1 69 PHE CB 1 69 PHE CG 1 69 PHE CD1 80.00 100.00 81.58 78.02 88.92 1.98 5 0 "[ . 1 . 2]"
200 . 1 86 PHE CA 1 86 PHE CB 1 86 PHE CG 1 86 PHE CD1 80.00 100.00 78.20 78.54 78.43 3.52 15 0 "[ . 1 . 2]"
201 . 1 94 TYR CA 1 94 TYR CB 1 94 TYR CG 1 94 TYR CD1 80.00 100.00 91.13 93.30 91.91 0.30 15 0 "[ . 1 . 2]"
202 . 1 105 PHE CA 1 105 PHE CB 1 105 PHE CG 1 105 PHE CD1 80.00 100.00 86.05 93.31 86.26 1.05 16 0 "[ . 1 . 2]"
203 . 1 108 TYR CA 1 108 TYR CB 1 108 TYR CG 1 108 TYR CD1 80.00 100.00 88.36 83.96 81.24 0.64 11 0 "[ . 1 . 2]"
204 . 1 134 TYR CA 1 134 TYR CB 1 134 TYR CG 1 134 TYR CD1 80.00 100.00 79.21 81.55 79.96 4.08 15 0 "[ . 1 . 2]"
205 . 1 139 PHE CA 1 139 PHE CB 1 139 PHE CG 1 139 PHE CD1 80.00 100.00 81.03 79.10 85.69 0.90 19 0 "[ . 1 . 2]"
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