NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
492409 |
2k4w   |
15112 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2k4w
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 208
_TA_constraint_stats_list.Viol_count 275
_TA_constraint_stats_list.Viol_total 127294.80
_TA_constraint_stats_list.Viol_max 87.10
_TA_constraint_stats_list.Viol_rms 4.55
_TA_constraint_stats_list.Viol_average_all_restraints 0.68
_TA_constraint_stats_list.Viol_average_violations_only 15.43
_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 N 1 1 ALA CA 1 1 ALA C 1 2 SER N 15.00 -155.00 158.49 159.07 154.90 . . 0 "[ . 1 . 2 . 3]"
2 . 1 1 ALA C 1 2 SER N 1 2 SER CA 1 2 SER C 160.00 -80.00 -143.26 -139.22 -142.54 . . 0 "[ . 1 . 2 . 3]"
3 . 1 2 SER N 1 2 SER CA 1 2 SER C 1 3 GLU N 40.00 -140.00 147.05 130.92 159.63 . . 0 "[ . 1 . 2 . 3]"
4 . 1 2 SER C 1 3 GLU N 1 3 GLU CA 1 3 GLU C 160.00 -80.00 -150.31 -139.89 -144.57 . . 0 "[ . 1 . 2 . 3]"
5 . 1 3 GLU N 1 3 GLU CA 1 3 GLU C 1 4 LYS N 25.00 -165.00 130.42 135.51 132.67 . . 0 "[ . 1 . 2 . 3]"
6 . 1 3 GLU C 1 4 LYS N 1 4 LYS CA 1 4 LYS C 175.00 75.00 -96.10 -91.28 -91.44 . . 0 "[ . 1 . 2 . 3]"
7 . 1 4 LYS N 1 4 LYS CA 1 4 LYS C 1 5 VAL N 5.00 -155.00 99.79 98.16 97.36 . . 0 "[ . 1 . 2 . 3]"
8 . 1 4 LYS C 1 5 VAL N 1 5 VAL CA 1 5 VAL C 160.00 -80.00 -89.96 -89.52 -90.04 11.90 26 4 "[ - . 1 * 2 .+ *]"
9 . 1 5 VAL N 1 5 VAL CA 1 5 VAL C 1 6 GLY N 80.00 180.00 118.86 118.55 116.44 . . 0 "[ . 1 . 2 . 3]"
10 . 1 5 VAL C 1 6 GLY N 1 6 GLY CA 1 6 GLY C -100.00 -50.00 -71.81 -82.80 -32.07 17.93 23 1 "[ . 1 . 2 + . 3]"
11 . 1 6 GLY C 1 7 MET N 1 7 MET CA 1 7 MET C -170.00 -80.00 -88.02 -85.34 -86.93 7.19 30 2 "[ . 1 . 2 . - +]"
12 . 1 7 MET N 1 7 MET CA 1 7 MET C 1 8 ASN N 80.00 180.00 125.90 85.53 154.03 . . 0 "[ . 1 . 2 . 3]"
13 . 1 7 MET C 1 8 ASN N 1 8 ASN CA 1 8 ASN C 160.00 -80.00 -105.41 -145.90 -68.36 11.64 12 2 "[ . -1 + . 2 . 3]"
14 . 1 8 ASN N 1 8 ASN CA 1 8 ASN C 1 9 LEU N 40.00 -140.00 147.41 137.79 158.32 . . 0 "[ . 1 . 2 . 3]"
15 . 1 8 ASN C 1 9 LEU N 1 9 LEU CA 1 9 LEU C 175.00 65.00 -69.38 -61.52 -64.31 . . 0 "[ . 1 . 2 . 3]"
16 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 VAL N 65.00 55.00 109.97 56.26 145.29 3.82 25 0 "[ . 1 . 2 . 3]"
17 . 1 9 LEU C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -165.00 75.00 -109.78 -135.79 -136.16 . . 0 "[ . 1 . 2 . 3]"
18 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 THR N 115.00 -165.00 147.52 147.28 144.83 9.12 21 1 "[ . 1 . 2+ . 3]"
19 . 1 10 VAL C 1 11 THR N 1 11 THR CA 1 11 THR C 160.00 -80.00 -166.11 155.65 -132.30 4.35 3 0 "[ . 1 . 2 . 3]"
20 . 1 11 THR N 1 11 THR CA 1 11 THR C 1 12 ALA N 40.00 -140.00 109.38 17.61 -148.20 22.39 6 1 "[ .+ 1 . 2 . 3]"
21 . 1 11 THR C 1 12 ALA N 1 12 ALA CA 1 12 ALA C 175.00 75.00 39.44 -82.09 77.34 2.34 1 0 "[ . 1 . 2 . 3]"
22 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 GLN N -85.00 135.00 -24.70 -62.80 17.38 . . 0 "[ . 1 . 2 . 3]"
23 . 1 12 ALA C 1 13 GLN N 1 13 GLN CA 1 13 GLN C 45.00 -45.00 -84.67 -80.76 -85.37 . . 0 "[ . 1 . 2 . 3]"
24 . 1 13 GLN N 1 13 GLN CA 1 13 GLN C 1 14 GLY N -85.00 95.00 -6.69 -12.58 -14.70 . . 0 "[ . 1 . 2 . 3]"
25 . 1 13 GLN C 1 14 GLY N 1 14 GLY CA 1 14 GLY C 45.00 -45.00 98.43 72.14 137.39 . . 0 "[ . 1 . 2 . 3]"
26 . 1 14 GLY N 1 14 GLY CA 1 14 GLY C 1 15 VAL N 85.00 35.00 -151.23 -142.63 -146.25 . . 0 "[ . 1 . 2 . 3]"
27 . 1 14 GLY C 1 15 VAL N 1 15 VAL CA 1 15 VAL C -165.00 -45.00 -63.52 -92.53 -39.22 5.78 16 1 "[ . 1 .+ 2 . 3]"
28 . 1 15 VAL N 1 15 VAL CA 1 15 VAL C 1 16 GLY N 40.00 -140.00 127.29 110.25 139.50 . . 0 "[ . 1 . 2 . 3]"
29 . 1 15 VAL C 1 16 GLY N 1 16 GLY CA 1 16 GLY C 45.00 -45.00 -105.23 -151.34 -87.67 . . 0 "[ . 1 . 2 . 3]"
30 . 1 16 GLY C 1 17 GLN N 1 17 GLN CA 1 17 GLN C 160.00 -80.00 -130.81 -83.83 -87.93 6.91 27 1 "[ . 1 . 2 . + 3]"
31 . 1 17 GLN N 1 17 GLN CA 1 17 GLN C 1 18 SER N 40.00 -140.00 158.66 127.93 172.29 . . 0 "[ . 1 . 2 . 3]"
32 . 1 17 GLN C 1 18 SER N 1 18 SER CA 1 18 SER C -100.00 -10.00 -102.03 -100.10 -103.16 52.69 14 11 "[- . * * * +. * ** *. * *]"
33 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 ILE N 40.00 180.00 148.63 122.42 172.94 . . 0 "[ . 1 . 2 . 3]"
34 . 1 18 SER C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -150.00 -100.00 -135.49 -135.37 -138.64 1.77 15 0 "[ . 1 . 2 . 3]"
35 . 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 GLY N 10.00 180.00 5.99 -37.05 56.68 47.05 27 15 "[** ***- *1 .* **2* * +**3]"
36 . 1 20 GLY C 1 21 THR N 1 21 THR CA 1 21 THR C 160.00 -80.00 -109.38 -140.06 -88.08 . . 0 "[ . 1 . 2 . 3]"
37 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 VAL N 40.00 -140.00 176.10 156.51 -175.76 . . 0 "[ . 1 . 2 . 3]"
38 . 1 21 THR C 1 22 VAL N 1 22 VAL CA 1 22 VAL C 160.00 -80.00 -124.97 -124.43 -126.52 . . 0 "[ . 1 . 2 . 3]"
39 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 VAL N 80.00 180.00 132.18 125.83 138.23 . . 0 "[ . 1 . 2 . 3]"
40 . 1 22 VAL C 1 23 VAL N 1 23 VAL CA 1 23 VAL C 175.00 65.00 -86.16 -97.57 -74.77 . . 0 "[ . 1 . 2 . 3]"
41 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 ILE N 5.00 -165.00 124.44 109.95 133.14 . . 0 "[ . 1 . 2 . 3]"
42 . 1 23 VAL C 1 24 ILE N 1 24 ILE CA 1 24 ILE C 160.00 -80.00 -102.79 -102.80 -103.88 . . 0 "[ . 1 . 2 . 3]"
43 . 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 ASP N 80.00 180.00 127.16 102.23 139.07 . . 0 "[ . 1 . 2 . 3]"
44 . 1 24 ILE C 1 25 ASP N 1 25 ASP CA 1 25 ASP C 160.00 -80.00 -131.01 -123.65 -126.51 . . 0 "[ . 1 . 2 . 3]"
45 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 GLU N 40.00 -140.00 118.80 96.60 145.18 . . 0 "[ . 1 . 2 . 3]"
46 . 1 25 ASP C 1 26 GLU N 1 26 GLU CA 1 26 GLU C 175.00 75.00 -77.67 -101.38 -57.05 . . 0 "[ . 1 . 2 . 3]"
47 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 THR N 5.00 -165.00 138.08 147.70 145.78 . . 0 "[ . 1 . 2 . 3]"
48 . 1 26 GLU C 1 27 THR N 1 27 THR CA 1 27 THR C 160.00 -80.00 -151.38 -167.68 -103.56 . . 0 "[ . 1 . 2 . 3]"
49 . 1 27 THR N 1 27 THR CA 1 27 THR C 1 28 GLU N 40.00 -140.00 179.37 -179.92 178.90 . . 0 "[ . 1 . 2 . 3]"
50 . 1 27 THR C 1 28 GLU N 1 28 GLU CA 1 28 GLU C 175.00 75.00 -61.49 -64.38 -67.24 . . 0 "[ . 1 . 2 . 3]"
51 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 GLY N -85.00 115.00 -24.83 -53.18 -4.27 . . 0 "[ . 1 . 2 . 3]"
52 . 1 28 GLU C 1 29 GLY N 1 29 GLY CA 1 29 GLY C 45.00 -45.00 -92.30 -85.96 -87.96 . . 0 "[ . 1 . 2 . 3]"
53 . 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 GLY N -115.00 115.00 13.94 6.61 30.80 . . 0 "[ . 1 . 2 . 3]"
54 . 1 30 GLY C 1 31 LEU N 1 31 LEU CA 1 31 LEU C 175.00 75.00 -75.43 -118.38 -51.59 . . 0 "[ . 1 . 2 . 3]"
55 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 LYS N 15.00 -155.00 102.50 93.47 113.27 . . 0 "[ . 1 . 2 . 3]"
56 . 1 31 LEU C 1 32 LYS N 1 32 LYS CA 1 32 LYS C 175.00 75.00 -78.92 -88.86 -70.77 . . 0 "[ . 1 . 2 . 3]"
57 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 PHE N 40.00 -140.00 112.14 104.16 143.32 . . 0 "[ . 1 . 2 . 3]"
58 . 1 32 LYS C 1 33 PHE N 1 33 PHE CA 1 33 PHE C 160.00 -80.00 -100.05 -142.65 -85.85 . . 0 "[ . 1 . 2 . 3]"
59 . 1 33 PHE N 1 33 PHE CA 1 33 PHE C 1 34 THR N 40.00 -140.00 114.52 104.61 127.77 . . 0 "[ . 1 . 2 . 3]"
60 . 1 33 PHE C 1 34 THR N 1 34 THR CA 1 34 THR C 160.00 -80.00 -121.84 -125.77 -127.58 . . 0 "[ . 1 . 2 . 3]"
61 . 1 34 THR N 1 34 THR CA 1 34 THR C 1 35 PRO N 40.00 -140.00 110.53 106.52 105.64 . . 0 "[ . 1 . 2 . 3]"
62 . 1 35 PRO N 1 35 PRO CA 1 35 PRO C 1 36 HIS N -55.00 -165.00 159.39 150.60 166.65 . . 0 "[ . 1 . 2 . 3]"
63 . 1 35 PRO C 1 36 HIS N 1 36 HIS CA 1 36 HIS C 175.00 75.00 -150.90 -142.78 -146.01 . . 0 "[ . 1 . 2 . 3]"
64 . 1 36 HIS C 1 37 LEU N 1 37 LEU CA 1 37 LEU C 175.00 75.00 -96.52 -86.87 -89.78 . . 0 "[ . 1 . 2 . 3]"
65 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 LYS N 40.00 -140.00 145.58 145.21 143.53 . . 0 "[ . 1 . 2 . 3]"
66 . 1 37 LEU C 1 38 LYS N 1 38 LYS CA 1 38 LYS C 160.00 -80.00 -123.05 -144.32 -88.09 . . 0 "[ . 1 . 2 . 3]"
67 . 1 38 LYS N 1 38 LYS CA 1 38 LYS C 1 39 ALA N 40.00 -140.00 58.29 170.31 167.00 27.74 12 15 "[ .* ***+-***** * * *.* 3]"
68 . 1 39 ALA N 1 39 ALA CA 1 39 ALA C 1 40 LEU N -35.00 115.00 47.23 19.42 16.06 . . 0 "[ . 1 . 2 . 3]"
69 . 1 39 ALA C 1 40 LEU N 1 40 LEU CA 1 40 LEU C 160.00 -80.00 -119.92 -160.84 -85.33 . . 0 "[ . 1 . 2 . 3]"
70 . 1 42 PRO C 1 43 GLY N 1 43 GLY CA 1 43 GLY C 55.00 -55.00 -108.41 -134.88 -85.60 . . 0 "[ . 1 . 2 . 3]"
71 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 GLU N 95.00 -95.00 -149.45 -120.94 -122.18 . . 0 "[ . 1 . 2 . 3]"
72 . 1 43 GLY C 1 44 GLU N 1 44 GLU CA 1 44 GLU C 175.00 75.00 -102.79 -124.16 -132.51 . . 0 "[ . 1 . 2 . 3]"
73 . 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 HIS N 40.00 -140.00 139.92 141.92 140.61 . . 0 "[ . 1 . 2 . 3]"
74 . 1 45 HIS C 1 46 GLY N 1 46 GLY CA 1 46 GLY C 45.00 -45.00 -61.99 -73.77 -48.04 . . 0 "[ . 1 . 2 . 3]"
75 . 1 46 GLY N 1 46 GLY CA 1 46 GLY C 1 47 PHE N 80.00 180.00 155.82 159.99 158.18 . . 0 "[ . 1 . 2 . 3]"
76 . 1 46 GLY C 1 47 PHE N 1 47 PHE CA 1 47 PHE C 160.00 -80.00 -135.70 -155.39 -108.87 . . 0 "[ . 1 . 2 . 3]"
77 . 1 47 PHE N 1 47 PHE CA 1 47 PHE C 1 48 HIS N 40.00 -140.00 120.40 118.41 116.30 . . 0 "[ . 1 . 2 . 3]"
78 . 1 47 PHE C 1 48 HIS N 1 48 HIS CA 1 48 HIS C 45.00 -45.00 -122.99 -137.85 -106.82 . . 0 "[ . 1 . 2 . 3]"
79 . 1 48 HIS N 1 48 HIS CA 1 48 HIS C 1 49 ILE N -85.00 -165.00 163.99 165.16 163.27 . . 0 "[ . 1 . 2 . 3]"
80 . 1 48 HIS C 1 49 ILE N 1 49 ILE CA 1 49 ILE C 160.00 -80.00 -100.69 -96.17 -98.54 . . 0 "[ . 1 . 2 . 3]"
81 . 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 HIS N 40.00 -140.00 143.24 148.02 147.10 . . 0 "[ . 1 . 2 . 3]"
82 . 1 50 HIS C 1 51 ALA N 1 51 ALA CA 1 51 ALA C 175.00 75.00 -67.29 -67.30 -68.89 . . 0 "[ . 1 . 2 . 3]"
83 . 1 51 ALA C 1 52 ASN N 1 52 ASN CA 1 52 ASN C 160.00 -80.00 -123.72 -140.36 -97.60 . . 0 "[ . 1 . 2 . 3]"
84 . 1 52 ASN N 1 52 ASN CA 1 52 ASN C 1 53 GLY N 40.00 -140.00 168.18 -179.59 177.77 . . 0 "[ . 1 . 2 . 3]"
85 . 1 52 ASN C 1 53 GLY N 1 53 GLY CA 1 53 GLY C 45.00 -45.00 -103.06 -149.87 -74.74 . . 0 "[ . 1 . 2 . 3]"
86 . 1 53 GLY C 1 54 SER N 1 54 SER CA 1 54 SER C 160.00 -80.00 -165.98 142.73 -138.69 17.27 2 1 "[ + . 1 . 2 . 3]"
87 . 1 54 SER N 1 54 SER CA 1 54 SER C 1 55 CYS N 40.00 -140.00 101.10 101.85 99.03 . . 0 "[ . 1 . 2 . 3]"
88 . 1 55 CYS C 1 56 GLN N 1 56 GLN CA 1 56 GLN C 160.00 -80.00 -98.78 -106.95 -110.18 16.04 30 3 "[ - . 1 * . 2 . +]"
89 . 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 PRO N 40.00 -140.00 138.12 118.82 168.90 . . 0 "[ . 1 . 2 . 3]"
90 . 1 57 PRO N 1 57 PRO CA 1 57 PRO C 1 58 ALA N 125.00 -165.00 157.48 133.88 179.33 . . 0 "[ . 1 . 2 . 3]"
91 . 1 57 PRO C 1 58 ALA N 1 58 ALA CA 1 58 ALA C 45.00 -45.00 -99.33 -108.51 -112.67 . . 0 "[ . 1 . 2 . 3]"
92 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 ILE N 5.00 -155.00 153.13 165.24 157.38 . . 0 "[ . 1 . 2 . 3]"
93 . 1 58 ALA C 1 59 ILE N 1 59 ILE CA 1 59 ILE C 160.00 -80.00 -101.43 -119.68 -121.72 0.56 27 0 "[ . 1 . 2 . 3]"
94 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 LYS N 40.00 -140.00 114.24 136.76 134.50 17.81 29 1 "[ . 1 . 2 . +3]"
95 . 1 59 ILE C 1 60 LYS N 1 60 LYS CA 1 60 LYS C 160.00 -80.00 -137.03 -156.54 -161.86 27.86 29 4 "[ . 1 .- * 2 * . +3]"
96 . 1 60 LYS N 1 60 LYS CA 1 60 LYS C 1 61 ASP N 40.00 -140.00 147.45 -124.33 -178.86 87.10 28 4 "[ - . * . 2 * + 3]"
97 . 1 60 LYS C 1 61 ASP N 1 61 ASP CA 1 61 ASP C 175.00 75.00 51.97 -176.09 69.83 . . 0 "[ . 1 . 2 . 3]"
98 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 GLY N -85.00 125.00 40.74 -104.73 118.76 19.73 30 1 "[ . 1 . 2 . +]"
99 . 1 62 GLY N 1 62 GLY CA 1 62 GLY C 1 63 GLN N -125.00 125.00 11.95 44.17 28.07 . . 0 "[ . 1 . 2 . 3]"
100 . 1 62 GLY C 1 63 GLN N 1 63 GLN CA 1 63 GLN C 160.00 -80.00 -148.49 172.71 -111.14 . . 0 "[ . 1 . 2 . 3]"
101 . 1 63 GLN N 1 63 GLN CA 1 63 GLN C 1 64 ALA N 40.00 -140.00 163.13 157.39 156.79 . . 0 "[ . 1 . 2 . 3]"
102 . 1 63 GLN C 1 64 ALA N 1 64 ALA CA 1 64 ALA C 160.00 -80.00 -103.11 -156.04 -76.93 3.07 25 0 "[ . 1 . 2 . 3]"
103 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 VAL N 40.00 -140.00 123.74 141.89 139.82 . . 0 "[ . 1 . 2 . 3]"
104 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 ALA N 40.00 -140.00 63.55 -15.58 134.06 55.58 11 7 "[ . *1+ . * *-* .* 3]"
105 . 1 65 VAL C 1 66 ALA N 1 66 ALA CA 1 66 ALA C 175.00 75.00 39.23 12.19 -24.95 . . 0 "[ . 1 . 2 . 3]"
106 . 1 65 VAL C 1 66 ALA N 1 66 ALA CA 1 66 ALA C 45.00 -45.00 39.23 12.19 -24.95 32.81 15 4 "[ . * 1 *+- 2 . 3]"
107 . 1 66 ALA C 1 67 ALA N 1 67 ALA CA 1 67 ALA C 45.00 -45.00 -179.51 172.93 172.75 . . 0 "[ . 1 . 2 . 3]"
108 . 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 GLU N -85.00 165.00 90.08 -24.65 141.53 . . 0 "[ . 1 . 2 . 3]"
109 . 1 68 GLU N 1 68 GLU CA 1 68 GLU C 1 69 ALA N -80.00 40.00 -37.37 -59.41 11.49 . . 0 "[ . 1 . 2 . 3]"
110 . 1 68 GLU C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -90.00 -40.00 -67.88 -81.21 -57.07 . . 0 "[ . 1 . 2 . 3]"
111 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 ALA N -80.00 40.00 -7.70 -15.62 -17.86 . . 0 "[ . 1 . 2 . 3]"
112 . 1 69 ALA C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -90.00 -40.00 -76.53 -99.13 -50.13 9.13 12 3 "[ . 1 + * 2 - . 3]"
113 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 GLY N -80.00 40.00 -10.70 -24.74 23.80 . . 0 "[ . 1 . 2 . 3]"
114 . 1 71 GLY C 1 72 GLY N 1 72 GLY CA 1 72 GLY C 45.00 -45.00 -68.42 -78.02 -79.37 . . 0 "[ . 1 . 2 . 3]"
115 . 1 72 GLY C 1 73 HIS N 1 73 HIS CA 1 73 HIS C 175.00 75.00 -68.70 -66.94 -69.51 . . 0 "[ . 1 . 2 . 3]"
116 . 1 73 HIS N 1 73 HIS CA 1 73 HIS C 1 74 LEU N -85.00 -165.00 80.26 128.29 62.29 32.79 12 3 "[ - . 1 + . * 2 . 3]"
117 . 1 73 HIS C 1 74 LEU N 1 74 LEU CA 1 74 LEU C 175.00 75.00 4.73 -174.41 78.51 3.51 10 0 "[ . 1 . 2 . 3]"
118 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 ASP N -25.00 -155.00 79.96 72.59 69.19 . . 0 "[ . 1 . 2 . 3]"
119 . 1 74 LEU C 1 75 ASP N 1 75 ASP CA 1 75 ASP C 45.00 -125.00 -144.41 169.70 -100.48 24.52 16 4 "[ . 1 .+ *2 * . -3]"
120 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 PRO N 40.00 -140.00 86.77 -1.21 159.93 41.21 29 4 "[ *. 1* . 2- . +3]"
121 . 1 76 PRO N 1 76 PRO CA 1 76 PRO C 1 77 GLN N -55.00 -15.00 -34.96 -50.84 -54.76 8.54 28 1 "[ . 1 . 2 . + 3]"
122 . 1 76 PRO C 1 77 GLN N 1 77 GLN CA 1 77 GLN C 160.00 -80.00 -154.67 155.60 -92.76 4.40 26 0 "[ . 1 . 2 . 3]"
123 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 ASN N -85.00 95.00 36.73 138.14 129.38 70.64 25 9 "[-***.* 1 * * 2 + * 3]"
124 . 1 80 GLY N 1 80 GLY CA 1 80 GLY C 1 81 LYS N -135.00 135.00 -11.07 -1.31 -9.30 . . 0 "[ . 1 . 2 . 3]"
125 . 1 80 GLY C 1 81 LYS N 1 81 LYS CA 1 81 LYS C 175.00 75.00 -80.70 -167.16 -43.26 . . 0 "[ . 1 . 2 . 3]"
126 . 1 81 LYS C 1 82 HIS N 1 82 HIS CA 1 82 HIS C 175.00 75.00 137.57 62.25 -67.34 42.20 26 12 "[ * . * 1 * **-* *** .+ * 3]"
127 . 1 81 LYS C 1 82 HIS N 1 82 HIS CA 1 82 HIS C 45.00 -45.00 137.57 62.25 -67.34 . . 0 "[ . 1 . 2 . 3]"
128 . 1 82 HIS N 1 82 HIS CA 1 82 HIS C 1 83 GLU N -85.00 -165.00 151.47 126.61 -174.25 . . 0 "[ . 1 . 2 . 3]"
129 . 1 82 HIS C 1 83 GLU N 1 83 GLU CA 1 83 GLU C 160.00 -80.00 -110.07 -162.10 -65.77 14.23 12 5 "[* . - 1 + * * 2 . 3]"
130 . 1 84 GLY N 1 84 GLY CA 1 84 GLY C 1 85 PRO N 155.00 85.00 -99.60 -112.95 -128.34 . . 0 "[ . 1 . 2 . 3]"
131 . 1 85 PRO N 1 85 PRO CA 1 85 PRO C 1 86 GLU N 65.00 5.00 -18.06 -128.57 29.46 24.46 5 2 "[ + 1 . 2 -. 3]"
132 . 1 85 PRO C 1 86 GLU N 1 86 GLU CA 1 86 GLU C 160.00 -80.00 -145.59 -139.26 -143.08 2.23 22 0 "[ . 1 . 2 . 3]"
133 . 1 86 GLU N 1 86 GLU CA 1 86 GLU C 1 87 GLY N 40.00 -140.00 78.77 -15.40 -104.17 55.40 11 14 "[ .*-* *+**** ** *. ** 3]"
134 . 1 87 GLY C 1 88 GLN N 1 88 GLN CA 1 88 GLN C 160.00 -80.00 -131.02 -100.25 -135.92 7.31 11 2 "[ . 1+ - . 2 . 3]"
135 . 1 88 GLN N 1 88 GLN CA 1 88 GLN C 1 89 GLY N 40.00 -140.00 78.16 -16.51 177.38 56.51 25 6 "[ - * 1 .** 2 * + 3]"
136 . 1 88 GLN C 1 89 GLY N 1 89 GLY CA 1 89 GLY C 45.00 -45.00 -153.51 85.99 -78.11 . . 0 "[ . 1 . 2 . 3]"
137 . 1 89 GLY N 1 89 GLY CA 1 89 GLY C 1 90 HIS N -155.00 155.00 -115.56 -93.39 -126.61 23.55 22 4 "[ . 1 . - 2 + *. * 3]"
138 . 1 89 GLY C 1 90 HIS N 1 90 HIS CA 1 90 HIS C 175.00 75.00 -125.65 -75.70 -89.41 22.01 19 2 "[ . 1 -. +2 . 3]"
139 . 1 90 HIS N 1 90 HIS CA 1 90 HIS C 1 91 LEU N -85.00 -165.00 134.83 93.24 -145.20 19.80 11 1 "[ . 1+ . 2 . 3]"
140 . 1 90 HIS C 1 91 LEU N 1 91 LEU CA 1 91 LEU C 45.00 -45.00 -72.39 -77.09 -81.01 . . 0 "[ . 1 . 2 . 3]"
141 . 1 91 LEU N 1 91 LEU CA 1 91 LEU C 1 92 GLY N -85.00 135.00 -14.63 -33.25 65.37 . . 0 "[ . 1 . 2 . 3]"
142 . 1 91 LEU C 1 92 GLY N 1 92 GLY CA 1 92 GLY C 45.00 -45.00 -92.27 -83.08 -85.63 . . 0 "[ . 1 . 2 . 3]"
143 . 1 92 GLY C 1 93 ASP N 1 93 ASP CA 1 93 ASP C 175.00 75.00 -85.93 -101.26 -106.99 . . 0 "[ . 1 . 2 . 3]"
144 . 1 93 ASP N 1 93 ASP CA 1 93 ASP C 1 94 LEU N -85.00 -155.00 137.76 133.11 131.93 . . 0 "[ . 1 . 2 . 3]"
145 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 PRO N 40.00 -140.00 162.95 165.90 164.15 . . 0 "[ . 1 . 2 . 3]"
146 . 1 95 PRO N 1 95 PRO CA 1 95 PRO C 1 96 VAL N 20.00 180.00 158.34 161.08 159.69 . . 0 "[ . 1 . 2 . 3]"
147 . 1 95 PRO C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -165.00 -45.00 -73.23 -85.63 -58.53 . . 0 "[ . 1 . 2 . 3]"
148 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 LEU N 40.00 -140.00 131.84 131.37 130.95 . . 0 "[ . 1 . 2 . 3]"
149 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 VAL N 40.00 -140.00 92.39 94.52 92.73 . . 0 "[ . 1 . 2 . 3]"
150 . 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 VAL N 40.00 -140.00 137.94 137.67 136.34 . . 0 "[ . 1 . 2 . 3]"
151 . 1 98 VAL C 1 99 VAL N 1 99 VAL CA 1 99 VAL C 160.00 -80.00 -120.69 -132.27 -103.81 . . 0 "[ . 1 . 2 . 3]"
152 . 1 99 VAL N 1 99 VAL CA 1 99 VAL C 1 100 ASN N 40.00 -140.00 144.67 140.86 138.99 . . 0 "[ . 1 . 2 . 3]"
153 . 1 99 VAL C 1 100 ASN N 1 100 ASN CA 1 100 ASN C 140.00 -40.00 -79.92 -103.47 -61.24 . . 0 "[ . 1 . 2 . 3]"
154 . 1 100 ASN N 1 100 ASN CA 1 100 ASN C 1 101 ASN N 40.00 -140.00 156.78 140.04 171.00 . . 0 "[ . 1 . 2 . 3]"
155 . 1 100 ASN C 1 101 ASN N 1 101 ASN CA 1 101 ASN C 175.00 65.00 -49.76 -74.74 -19.83 . . 0 "[ . 1 . 2 . 3]"
156 . 1 101 ASN N 1 101 ASN CA 1 101 ASN C 1 102 ASP N -85.00 155.00 -13.17 -45.19 60.46 . . 0 "[ . 1 . 2 . 3]"
157 . 1 101 ASN C 1 102 ASP N 1 102 ASP CA 1 102 ASP C 175.00 65.00 -96.93 -88.88 -90.58 . . 0 "[ . 1 . 2 . 3]"
158 . 1 103 GLY N 1 103 GLY CA 1 103 GLY C 1 104 ILE N -115.00 115.00 22.61 23.81 23.21 . . 0 "[ . 1 . 2 . 3]"
159 . 1 103 GLY C 1 104 ILE N 1 104 ILE CA 1 104 ILE C 160.00 -80.00 -122.75 -123.06 -123.49 . . 0 "[ . 1 . 2 . 3]"
160 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C 1 105 ALA N 40.00 -140.00 131.19 133.57 132.50 . . 0 "[ . 1 . 2 . 3]"
161 . 1 105 ALA N 1 105 ALA CA 1 105 ALA C 1 106 THR N 40.00 -140.00 127.80 147.66 144.63 . . 0 "[ . 1 . 2 . 3]"
162 . 1 105 ALA C 1 106 THR N 1 106 THR CA 1 106 THR C 160.00 -80.00 -147.54 -168.97 -125.94 . . 0 "[ . 1 . 2 . 3]"
163 . 1 106 THR C 1 107 GLU N 1 107 GLU CA 1 107 GLU C 175.00 65.00 -84.10 -134.83 -56.30 . . 0 "[ . 1 . 2 . 3]"
164 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 PRO N 40.00 -140.00 122.25 113.34 112.19 . . 0 "[ . 1 . 2 . 3]"
165 . 1 108 PRO N 1 108 PRO CA 1 108 PRO C 1 109 VAL N -25.00 -165.00 137.12 125.82 107.09 . . 0 "[ . 1 . 2 . 3]"
166 . 1 108 PRO C 1 109 VAL N 1 109 VAL CA 1 109 VAL C 160.00 -80.00 -132.20 -147.08 -66.57 13.43 27 2 "[ . 1 . - . + 3]"
167 . 1 109 VAL N 1 109 VAL CA 1 109 VAL C 1 110 THR N 40.00 -140.00 162.45 74.34 178.97 . . 0 "[ . 1 . 2 . 3]"
168 . 1 109 VAL C 1 110 THR N 1 110 THR CA 1 110 THR C 160.00 -80.00 -136.22 -57.07 -112.86 22.93 2 1 "[ + . 1 . 2 . 3]"
169 . 1 110 THR N 1 110 THR CA 1 110 THR C 1 111 ALA N 40.00 -140.00 138.61 126.93 146.50 . . 0 "[ . 1 . 2 . 3]"
170 . 1 110 THR C 1 111 ALA N 1 111 ALA CA 1 111 ALA C 160.00 -80.00 -112.68 -107.72 -108.95 . . 0 "[ . 1 . 2 . 3]"
171 . 1 111 ALA N 1 111 ALA CA 1 111 ALA C 1 112 PRO N 40.00 -140.00 97.18 84.37 114.24 . . 0 "[ . 1 . 2 . 3]"
172 . 1 112 PRO C 1 113 ARG N 1 113 ARG CA 1 113 ARG C 175.00 75.00 -77.10 -161.92 -58.96 . . 0 "[ . 1 . 2 . 3]"
173 . 1 113 ARG N 1 113 ARG CA 1 113 ARG C 1 114 LEU N -85.00 105.00 -21.44 -16.27 -17.13 . . 0 "[ . 1 . 2 . 3]"
174 . 1 113 ARG C 1 114 LEU N 1 114 LEU CA 1 114 LEU C 160.00 -80.00 -120.03 -141.78 -148.93 5.05 9 1 "[ . +1 . 2 . 3]"
175 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 LYS N 40.00 -140.00 153.23 177.16 171.94 . . 0 "[ . 1 . 2 . 3]"
176 . 1 114 LEU C 1 115 LYS N 1 115 LYS CA 1 115 LYS C 160.00 -80.00 -135.14 -127.47 -131.06 . . 0 "[ . 1 . 2 . 3]"
177 . 1 115 LYS C 1 116 SER N 1 116 SER CA 1 116 SER C 160.00 -80.00 -154.80 -135.31 -141.11 8.78 9 1 "[ . +1 . 2 . 3]"
178 . 1 116 SER N 1 116 SER CA 1 116 SER C 1 117 LEU N 40.00 -140.00 152.81 160.86 157.00 . . 0 "[ . 1 . 2 . 3]"
179 . 1 118 ASP C 1 119 GLU N 1 119 GLU CA 1 119 GLU C 45.00 -45.00 -76.77 -78.91 -83.53 . . 0 "[ . 1 . 2 . 3]"
180 . 1 119 GLU N 1 119 GLU CA 1 119 GLU C 1 120 VAL N 75.00 45.00 -12.21 -5.41 -6.87 . . 0 "[ . 1 . 2 . 3]"
181 . 1 119 GLU C 1 120 VAL N 1 120 VAL CA 1 120 VAL C 160.00 -80.00 -126.28 -128.52 -129.09 . . 0 "[ . 1 . 2 . 3]"
182 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 LYS N -85.00 85.00 11.42 7.26 4.14 . . 0 "[ . 1 . 2 . 3]"
183 . 1 122 ASP C 1 123 LYS N 1 123 LYS CA 1 123 LYS C 160.00 -80.00 -119.96 -111.87 -113.34 . . 0 "[ . 1 . 2 . 3]"
184 . 1 123 LYS N 1 123 LYS CA 1 123 LYS C 1 124 ALA N 40.00 -140.00 168.92 -160.36 -173.91 . . 0 "[ . 1 . 2 . 3]"
185 . 1 123 LYS C 1 124 ALA N 1 124 ALA CA 1 124 ALA C 160.00 -80.00 -107.47 -142.47 -83.47 . . 0 "[ . 1 . 2 . 3]"
186 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 LEU N -5.00 -155.00 148.61 156.56 151.74 . . 0 "[ . 1 . 2 . 3]"
187 . 1 124 ALA C 1 125 LEU N 1 125 LEU CA 1 125 LEU C 160.00 -80.00 -107.31 -131.96 -73.46 6.54 26 1 "[ . 1 . 2 .+ 3]"
188 . 1 125 LEU N 1 125 LEU CA 1 125 LEU C 1 126 MET N 80.00 180.00 142.44 117.00 170.42 . . 0 "[ . 1 . 2 . 3]"
189 . 1 125 LEU C 1 126 MET N 1 126 MET CA 1 126 MET C 160.00 -80.00 -133.39 -143.23 -147.05 . . 0 "[ . 1 . 2 . 3]"
190 . 1 126 MET N 1 126 MET CA 1 126 MET C 1 127 ILE N 40.00 -140.00 133.14 126.89 124.96 . . 0 "[ . 1 . 2 . 3]"
191 . 1 126 MET C 1 127 ILE N 1 127 ILE CA 1 127 ILE C 160.00 -80.00 -90.30 -90.53 -93.30 2.83 27 0 "[ . 1 . 2 . 3]"
192 . 1 127 ILE N 1 127 ILE CA 1 127 ILE C 1 128 HIS N 40.00 -140.00 119.40 103.51 140.15 . . 0 "[ . 1 . 2 . 3]"
193 . 1 147 ARG N 1 147 ARG CA 1 147 ARG C 1 148 TYR N 80.00 180.00 142.58 131.93 162.29 . . 0 "[ . 1 . 2 . 3]"
194 . 1 129 VAL C 1 130 GLY N 1 130 GLY CA 1 130 GLY C 45.00 -45.00 -106.83 -98.38 -104.23 . . 0 "[ . 1 . 2 . 3]"
195 . 1 131 GLY C 1 132 ASP N 1 132 ASP CA 1 132 ASP C 175.00 75.00 -118.16 -83.28 -95.40 . . 0 "[ . 1 . 2 . 3]"
196 . 1 132 ASP N 1 132 ASP CA 1 132 ASP C 1 133 ASN N -45.00 -155.00 41.97 -40.38 166.22 . . 0 "[ . 1 . 2 . 3]"
197 . 1 132 ASP C 1 133 ASN N 1 133 ASN CA 1 133 ASN C 175.00 75.00 -118.29 -81.55 -93.72 39.27 18 3 "[ . 1 * . + 2 - . 3]"
198 . 1 133 ASN N 1 133 ASN CA 1 133 ASN C 1 134 MET N -85.00 135.00 14.33 21.01 14.92 . . 0 "[ . 1 . 2 . 3]"
199 . 1 133 ASN C 1 134 MET N 1 134 MET CA 1 134 MET C 160.00 -80.00 -108.87 -114.22 -127.97 18.54 15 3 "[ . 1 + 2 * -. 3]"
200 . 1 134 MET N 1 134 MET CA 1 134 MET C 1 135 SER N 40.00 -140.00 102.91 10.35 152.91 29.65 5 1 "[ + 1 . 2 . 3]"
201 . 1 134 MET C 1 135 SER N 1 135 SER CA 1 135 SER C 160.00 -80.00 -109.16 -176.66 -47.83 32.17 5 4 "[ + 1* .* 2 -. 3]"
202 . 1 135 SER C 1 136 ASP N 1 136 ASP CA 1 136 ASP C 175.00 75.00 -95.39 -95.39 -118.65 22.20 11 2 "[ . 1+ . 2 . - 3]"
203 . 1 136 ASP N 1 136 ASP CA 1 136 ASP C 1 137 GLN N -85.00 95.00 35.26 63.95 42.25 52.15 20 6 "[ - . 1* . *+ * . *3]"
204 . 1 136 ASP C 1 137 GLN N 1 137 GLN CA 1 137 GLN C 175.00 75.00 -123.28 151.27 -53.01 23.73 29 2 "[ . 1 . - . +3]"
205 . 1 137 GLN N 1 137 GLN CA 1 137 GLN C 1 138 PRO N 40.00 -140.00 151.72 142.25 163.58 . . 0 "[ . 1 . 2 . 3]"
206 . 1 138 PRO N 1 138 PRO CA 1 138 PRO C 1 139 LYS N -55.00 -5.00 -14.91 7.29 -0.06 35.59 5 5 "[ * -+ * 1 * . 2 . 3]"
207 . 1 138 PRO C 1 139 LYS N 1 139 LYS CA 1 139 LYS C 160.00 -80.00 -102.78 -132.36 -133.13 12.18 11 3 "[ * . 1+ . - 2 . 3]"
208 . 1 139 LYS N 1 139 LYS CA 1 139 LYS C 1 140 PRO N 40.00 -140.00 115.01 136.47 133.85 . . 0 "[ . 1 . 2 . 3]"
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