NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
637972 |
6gms   |
18823 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6gms
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 216
_TA_constraint_stats_list.Viol_count 1145
_TA_constraint_stats_list.Viol_total 44138.80
_TA_constraint_stats_list.Viol_max 12.50
_TA_constraint_stats_list.Viol_rms 1.38
_TA_constraint_stats_list.Viol_average_all_restraints 0.51
_TA_constraint_stats_list.Viol_average_violations_only 1.93
_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 3 ASN C 1 4 TYR N 1 4 TYR CA 1 4 TYR C -74.00 -56.00 -65.56 -74.12 -58.44 0.12 11 0 "[ . 1 . 2]"
2 . 1 4 TYR C 1 5 LEU N 1 5 LEU CA 1 5 LEU C -96.00 -42.00 -69.86 -79.56 -61.32 . . 0 "[ . 1 . 2]"
3 . 1 5 LEU C 1 6 ARG N 1 6 ARG CA 1 6 ARG C -67.00 -59.00 -65.26 -67.45 -67.54 0.95 18 0 "[ . 1 . 2]"
4 . 1 6 ARG C 1 7 LYS N 1 7 LYS CA 1 7 LYS C -67.00 -55.00 -59.75 -58.14 -59.73 . . 0 "[ . 1 . 2]"
5 . 1 7 LYS C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -77.00 -57.00 -60.90 -67.11 -56.72 0.28 15 0 "[ . 1 . 2]"
6 . 1 8 ALA C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -75.00 -59.00 -64.05 -64.25 -65.87 . . 0 "[ . 1 . 2]"
7 . 1 9 ALA C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -68.00 -58.00 -67.02 -68.86 -62.94 0.86 18 0 "[ . 1 . 2]"
8 . 1 10 LEU C 1 11 THR N 1 11 THR CA 1 11 THR C -70.00 -56.00 -64.94 -69.59 -58.31 . . 0 "[ . 1 . 2]"
9 . 1 11 THR C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -67.00 -59.00 -66.71 -68.04 -68.07 2.15 9 0 "[ . 1 . 2]"
10 . 1 12 ASP C 1 13 MET N 1 13 MET CA 1 13 MET C -73.00 -57.00 -63.13 -67.09 -59.48 . . 0 "[ . 1 . 2]"
11 . 1 13 MET C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -70.00 -58.00 -61.90 -64.69 -57.97 0.03 19 0 "[ . 1 . 2]"
12 . 1 14 LEU C 1 15 GLN N 1 15 GLN CA 1 15 GLN C -69.00 -57.00 -65.54 -68.65 -61.18 . . 0 "[ . 1 . 2]"
13 . 1 15 GLN C 1 16 THR N 1 16 THR CA 1 16 THR C -75.00 -61.00 -75.50 -77.25 -73.83 2.25 17 0 "[ . 1 . 2]"
14 . 1 16 THR C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -70.00 -56.00 -70.19 -71.44 -65.91 1.44 19 0 "[ . 1 . 2]"
15 . 1 17 PHE C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -61.00 -41.00 -49.86 -57.16 -45.90 . . 0 "[ . 1 . 2]"
16 . 1 18 VAL C 1 19 PRO N 1 19 PRO CA 1 19 PRO C -63.00 -51.00 -56.48 -56.79 -57.79 . . 0 "[ . 1 . 2]"
17 . 1 19 PRO C 1 20 TYR N 1 20 TYR CA 1 20 TYR C -71.00 -59.00 -72.22 -76.12 -58.63 5.12 3 1 "[ + . 1 . 2]"
18 . 1 20 TYR C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -68.00 -56.00 -58.34 -61.97 -54.77 1.23 12 0 "[ . 1 . 2]"
19 . 1 21 ARG C 1 22 THR N 1 22 THR CA 1 22 THR C -75.00 -55.00 -52.16 -52.29 -52.63 4.23 3 0 "[ . 1 . 2]"
20 . 1 22 THR C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -69.00 -59.00 -65.01 -64.61 -65.64 0.33 17 0 "[ . 1 . 2]"
21 . 1 23 ALA C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -71.00 -61.00 -67.95 -73.40 -62.03 2.40 3 0 "[ . 1 . 2]"
22 . 1 24 VAL C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -69.00 -51.00 -64.79 -65.74 -66.61 1.00 15 0 "[ . 1 . 2]"
23 . 1 25 GLU C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -69.00 -59.00 -62.63 -67.11 -58.04 0.96 10 0 "[ . 1 . 2]"
24 . 1 27 CYS C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -67.00 -55.00 -62.35 -55.65 -56.56 4.07 7 0 "[ . 1 . 2]"
25 . 1 28 ALA C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -81.00 -55.00 -79.29 -83.27 -68.07 2.27 18 0 "[ . 1 . 2]"
26 . 1 29 LEU C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -91.00 -59.00 -69.10 -75.12 -77.22 . . 0 "[ . 1 . 2]"
27 . 1 30 GLU C 1 31 HIS N 1 31 HIS CA 1 31 HIS C -107.00 -79.00 -106.35 -110.29 -89.25 3.29 5 0 "[ . 1 . 2]"
28 . 1 31 HIS C 1 32 GLY N 1 32 GLY CA 1 32 GLY C 55.00 105.00 75.37 65.73 61.30 0.17 10 0 "[ . 1 . 2]"
29 . 1 32 GLY C 1 33 GLY N 1 33 GLY CA 1 33 GLY C -131.00 -67.00 -118.04 -124.37 -139.96 9.32 10 2 "[- . + . 2]"
30 . 1 33 GLY C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -72.00 -40.00 -73.94 -75.06 -78.18 6.48 1 2 "[+ . - . 2]"
31 . 1 34 LEU C 1 35 ASP N 1 35 ASP CA 1 35 ASP C -81.00 -49.00 -51.35 -53.68 -57.45 1.29 14 0 "[ . 1 . 2]"
32 . 1 35 ASP C 1 36 THR N 1 36 THR CA 1 36 THR C -129.00 -77.00 -87.29 -95.19 -76.22 0.78 6 0 "[ . 1 . 2]"
33 . 1 37 CYS C 1 38 ASP N 1 38 ASP CA 1 38 ASP C -156.00 -100.00 -108.43 -104.10 -104.90 0.98 10 0 "[ . 1 . 2]"
34 . 1 40 GLY C 1 41 SER N 1 41 SER CA 1 41 SER C -148.00 -88.00 -142.97 -148.14 -148.30 1.42 20 0 "[ . 1 . 2]"
35 . 1 41 SER C 1 42 ASN N 1 42 ASN CA 1 42 ASN C 43.00 61.00 56.28 55.92 55.05 1.45 12 0 "[ . 1 . 2]"
36 . 1 42 ASN C 1 43 GLY N 1 43 GLY CA 1 43 GLY C 58.00 112.00 83.02 86.34 85.44 . . 0 "[ . 1 . 2]"
37 . 1 43 GLY C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -118.00 -64.00 -85.65 -81.36 -82.48 . . 0 "[ . 1 . 2]"
38 . 1 44 ILE C 1 45 PRO N 1 45 PRO CA 1 45 PRO C -82.00 -58.00 -66.47 -80.05 -57.13 0.87 14 0 "[ . 1 . 2]"
39 . 1 45 PRO C 1 46 SER N 1 46 SER CA 1 46 SER C -116.00 -46.00 -62.13 -54.02 -73.61 2.54 19 0 "[ . 1 . 2]"
40 . 1 46 SER C 1 47 PRO N 1 47 PRO CA 1 47 PRO C -75.00 -47.00 -54.28 -54.79 -56.97 0.82 15 0 "[ . 1 . 2]"
41 . 1 47 PRO C 1 48 THR N 1 48 THR CA 1 48 THR C -150.00 -96.00 -124.56 -145.35 -149.82 1.08 18 0 "[ . 1 . 2]"
42 . 1 48 THR C 1 49 THR N 1 49 THR CA 1 49 THR C -153.00 -105.00 -123.04 -128.82 -129.74 2.64 19 0 "[ . 1 . 2]"
43 . 1 49 THR C 1 50 THR N 1 50 THR CA 1 50 THR C -142.00 -64.00 -81.43 -75.01 -77.30 0.33 19 0 "[ . 1 . 2]"
44 . 1 50 THR C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -73.00 -57.00 -54.58 -61.70 -52.97 4.03 7 0 "[ . 1 . 2]"
45 . 1 51 ARG C 1 52 TYR N 1 52 TYR CA 1 52 TYR C -128.00 -84.00 -93.61 -86.82 -88.08 1.26 19 0 "[ . 1 . 2]"
46 . 1 52 TYR C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -152.00 -84.00 -91.25 -116.88 -80.45 3.55 15 0 "[ . 1 . 2]"
47 . 1 55 ALA C 1 56 MET N 1 56 MET CA 1 56 MET C -174.00 -114.00 -162.08 -172.47 -141.30 . . 0 "[ . 1 . 2]"
48 . 1 56 MET C 1 57 SER N 1 57 SER CA 1 57 SER C -171.00 -113.00 -137.33 -163.04 -124.59 . . 0 "[ . 1 . 2]"
49 . 1 57 SER C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -137.00 -95.00 -115.91 -118.44 -120.27 . . 0 "[ . 1 . 2]"
50 . 1 58 VAL C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -166.00 -110.00 -134.52 -133.75 -133.98 . . 0 "[ . 1 . 2]"
51 . 1 59 ALA C 1 60 LYS N 1 60 LYS CA 1 60 LYS C 46.00 56.00 51.41 46.45 56.59 0.59 10 0 "[ . 1 . 2]"
52 . 1 60 LYS C 1 61 GLY N 1 61 GLY CA 1 61 GLY C 58.00 94.00 82.42 76.25 88.99 . . 0 "[ . 1 . 2]"
53 . 1 61 GLY C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -90.00 -62.00 -69.66 -66.45 -67.79 . . 0 "[ . 1 . 2]"
54 . 1 62 VAL C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -140.00 -100.00 -131.90 -137.20 -126.62 . . 0 "[ . 1 . 2]"
55 . 1 63 VAL C 1 64 SER N 1 64 SER CA 1 64 SER C -141.00 -107.00 -103.89 -105.15 -101.37 5.63 9 2 "[- . +1 . 2]"
56 . 1 64 SER C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -154.00 -92.00 -113.43 -129.70 -100.77 . . 0 "[ . 1 . 2]"
57 . 1 66 THR C 1 67 GLY N 1 67 GLY CA 1 67 GLY C 50.00 92.00 51.62 48.02 70.04 1.98 3 0 "[ . 1 . 2]"
58 . 1 67 GLY C 1 68 GLN N 1 68 GLN CA 1 68 GLN C -102.00 -64.00 -80.59 -78.99 -82.48 . . 0 "[ . 1 . 2]"
59 . 1 69 GLU C 1 70 SER N 1 70 SER CA 1 70 SER C -74.00 -56.00 -70.28 -75.64 -63.15 1.64 17 0 "[ . 1 . 2]"
60 . 1 70 SER C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -121.00 -79.00 -83.05 -89.58 -78.07 0.93 10 0 "[ . 1 . 2]"
61 . 1 71 LEU C 1 72 ASN N 1 72 ASN CA 1 72 ASN C -70.00 -48.00 -55.67 -61.72 -52.59 . . 0 "[ . 1 . 2]"
62 . 1 72 ASN C 1 73 GLY N 1 73 GLY CA 1 73 GLY C 78.00 108.00 85.74 80.55 88.91 . . 0 "[ . 1 . 2]"
63 . 1 73 GLY C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -128.00 -56.00 -88.77 -100.10 -75.04 . . 0 "[ . 1 . 2]"
64 . 1 74 LEU C 1 75 SER N 1 75 SER CA 1 75 SER C -139.00 -73.00 -115.44 -120.09 -123.63 . . 0 "[ . 1 . 2]"
65 . 1 75 SER C 1 76 VAL N 1 76 VAL CA 1 76 VAL C -126.00 -90.00 -101.63 -112.24 -90.09 . . 0 "[ . 1 . 2]"
66 . 1 76 VAL C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -135.00 -107.00 -117.86 -124.18 -113.06 . . 0 "[ . 1 . 2]"
67 . 1 77 VAL C 1 78 MET N 1 78 MET CA 1 78 MET C -122.00 -84.00 -93.57 -90.06 -91.24 0.98 17 0 "[ . 1 . 2]"
68 . 1 78 MET C 1 79 THR N 1 79 THR CA 1 79 THR C -157.00 -81.00 -111.52 -116.08 -106.96 . . 0 "[ . 1 . 2]"
69 . 1 79 THR C 1 80 PRO N 1 80 PRO CA 1 80 PRO C -81.00 -53.00 -68.36 -66.23 -66.69 . . 0 "[ . 1 . 2]"
70 . 1 83 ASP C 1 84 ASN N 1 84 ASN CA 1 84 ASN C -68.00 -54.00 -63.50 -57.91 -63.91 1.69 10 0 "[ . 1 . 2]"
71 . 1 84 ASN C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -84.00 -62.00 -75.71 -86.33 -61.98 2.33 15 0 "[ . 1 . 2]"
72 . 1 85 ALA C 1 86 ASN N 1 86 ASN CA 1 86 ASN C -109.00 -75.00 -97.87 -90.53 -94.54 2.85 5 0 "[ . 1 . 2]"
73 . 1 90 GLY C 1 91 TRP N 1 91 TRP CA 1 91 TRP C -147.00 -71.00 -120.34 -142.35 -88.99 . . 0 "[ . 1 . 2]"
74 . 1 91 TRP C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -130.00 -90.00 -92.49 -87.79 -88.66 2.21 2 0 "[ . 1 . 2]"
75 . 1 92 ALA C 1 93 ARG N 1 93 ARG CA 1 93 ARG C -150.00 -110.00 -110.64 -110.42 -113.28 1.62 15 0 "[ . 1 . 2]"
76 . 1 93 ARG C 1 94 ASN N 1 94 ASN CA 1 94 ASN C -144.00 -100.00 -137.78 -144.49 -145.24 1.84 1 0 "[ . 1 . 2]"
77 . 1 94 ASN C 1 95 CYS N 1 95 CYS CA 1 95 CYS C -132.00 -104.00 -109.02 -124.65 -102.57 1.43 13 0 "[ . 1 . 2]"
78 . 1 95 CYS C 1 96 ASN N 1 96 ASN CA 1 96 ASN C -140.00 -88.00 -111.50 -124.87 -104.43 . . 0 "[ . 1 . 2]"
79 . 1 96 ASN C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -133.00 -67.00 -136.45 -136.26 -136.84 5.49 1 4 "[+ . -* 1 * 2]"
80 . 1 97 ILE C 1 98 GLN N 1 98 GLN CA 1 98 GLN C -72.00 -54.00 -73.89 -74.29 -74.78 3.82 1 0 "[ . 1 . 2]"
81 . 1 98 GLN C 1 99 SER N 1 99 SER CA 1 99 SER C -108.00 -76.00 -97.20 -95.67 -95.93 1.05 18 0 "[ . 1 . 2]"
82 . 1 100 ASP C 1 101 SER N 1 101 SER CA 1 101 SER C -60.00 -52.00 -60.64 -60.64 -60.66 1.79 9 0 "[ . 1 . 2]"
83 . 1 101 SER C 1 102 ALA N 1 102 ALA CA 1 102 ALA C -69.00 -59.00 -62.85 -62.41 -62.71 . . 0 "[ . 1 . 2]"
84 . 1 102 ALA C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -76.00 -56.00 -68.52 -68.91 -69.74 . . 0 "[ . 1 . 2]"
85 . 1 103 LEU C 1 104 GLN N 1 104 GLN CA 1 104 GLN C -68.00 -54.00 -64.38 -68.08 -61.09 0.08 18 0 "[ . 1 . 2]"
86 . 1 104 GLN C 1 105 GLN N 1 105 GLN CA 1 105 GLN C -67.00 -53.00 -56.30 -67.34 -52.64 0.36 10 0 "[ . 1 . 2]"
87 . 1 105 GLN C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -74.00 -52.00 -73.60 -75.40 -69.09 1.40 17 0 "[ . 1 . 2]"
88 . 1 106 ALA C 1 107 CYS N 1 107 CYS CA 1 107 CYS C -70.00 -52.00 -66.90 -69.22 -70.33 0.88 1 0 "[ . 1 . 2]"
89 . 1 107 CYS C 1 108 GLU N 1 108 GLU CA 1 108 GLU C -68.00 -56.00 -62.94 -68.36 -55.75 0.36 18 0 "[ . 1 . 2]"
90 . 1 108 GLU C 1 109 ASP N 1 109 ASP CA 1 109 ASP C -69.00 -61.00 -67.33 -61.96 -64.17 3.98 7 0 "[ . 1 . 2]"
91 . 1 109 ASP C 1 110 VAL N 1 110 VAL CA 1 110 VAL C -82.00 -54.00 -83.17 -85.43 -80.97 3.43 7 0 "[ . 1 . 2]"
92 . 1 110 VAL C 1 111 PHE N 1 111 PHE CA 1 111 PHE C -108.00 -72.00 -84.99 -95.77 -71.57 0.43 19 0 "[ . 1 . 2]"
93 . 1 111 PHE C 1 112 ARG N 1 112 ARG CA 1 112 ARG C -108.00 -54.00 -57.61 -111.08 -46.43 7.57 10 6 "[ .*-* + *. * 2]"
94 . 1 112 ARG C 1 113 PHE N 1 113 PHE CA 1 113 PHE C -134.00 -70.00 -107.72 -119.44 -123.23 2.30 10 0 "[ . 1 . 2]"
95 . 1 113 PHE C 1 114 ASP N 1 114 ASP CA 1 114 ASP C -135.00 -53.00 -72.35 -91.41 -55.82 . . 0 "[ . 1 . 2]"
96 . 1 115 ASP C 1 116 ALA N 1 116 ALA CA 1 116 ALA C -83.00 -43.00 -74.99 -84.96 -63.31 1.96 11 0 "[ . 1 . 2]"
97 . 1 116 ALA C 1 117 ASN N 1 117 ASN CA 1 117 ASN C -119.00 -75.00 -93.82 -101.17 -104.21 . . 0 "[ . 1 . 2]"
98 . 1 117 ASN C 1 118 LEU N 1 118 LEU CA 1 118 LEU C -171.00 33.00 -107.72 -95.72 -105.81 . . 0 "[ . 1 . 2]"
99 . 1 118 LEU C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -114.00 -54.00 -80.26 -71.33 -77.11 1.53 11 0 "[ . 1 . 2]"
100 . 1 119 VAL C 1 120 PRO N 1 120 PRO CA 1 120 PRO C -84.00 -54.00 -67.59 -57.63 -62.22 . . 0 "[ . 1 . 2]"
101 . 1 120 PRO C 1 121 ARG N 1 121 ARG CA 1 121 ARG C -140.00 -60.00 -111.73 -78.65 -96.05 0.79 11 0 "[ . 1 . 2]"
102 . 1 121 ARG C 1 122 GLY N 1 122 GLY CA 1 122 GLY C -172.00 98.00 110.93 -134.03 -141.62 2.66 4 0 "[ . 1 . 2]"
103 . 1 122 GLY C 1 123 SER N 1 123 SER CA 1 123 SER C -108.00 -30.00 -84.31 -78.81 -83.88 3.19 15 0 "[ . 1 . 2]"
104 . 1 123 SER C 1 124 GLY N 1 124 GLY CA 1 124 GLY C 70.00 112.00 95.80 104.71 98.17 1.47 2 0 "[ . 1 . 2]"
105 . 1 124 GLY C 1 125 LEU N 1 125 LEU CA 1 125 LEU C -101.00 -63.00 -92.09 -102.33 -103.36 4.25 8 0 "[ . 1 . 2]"
106 . 1 125 LEU C 1 126 GLU N 1 126 GLU CA 1 126 GLU C -111.00 -55.00 -89.77 -90.10 -97.80 2.79 1 0 "[ . 1 . 2]"
107 . 1 126 GLU C 1 127 HIS N 1 127 HIS CA 1 127 HIS C -142.00 -38.00 -90.04 -139.53 -59.36 . . 0 "[ . 1 . 2]"
108 . 1 127 HIS C 1 128 HIS N 1 128 HIS CA 1 128 HIS C -109.00 -57.00 -86.09 -88.69 -95.14 1.31 18 0 "[ . 1 . 2]"
109 . 1 4 TYR N 1 4 TYR CA 1 4 TYR C 1 5 LEU N -49.00 -29.00 -38.77 -49.73 -30.59 0.73 9 0 "[ . 1 . 2]"
110 . 1 5 LEU N 1 5 LEU CA 1 5 LEU C 1 6 ARG N -49.00 -19.00 -39.54 -34.96 -37.60 0.37 1 0 "[ . 1 . 2]"
111 . 1 6 ARG N 1 6 ARG CA 1 6 ARG C 1 7 LYS N -53.00 -33.00 -37.46 -34.42 -35.78 0.26 9 0 "[ . 1 . 2]"
112 . 1 7 LYS N 1 7 LYS CA 1 7 LYS C 1 8 ALA N -49.00 -33.00 -47.93 -51.46 -40.79 2.46 18 0 "[ . 1 . 2]"
113 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 ALA N -43.00 -27.00 -35.91 -41.74 -26.35 0.65 4 0 "[ . 1 . 2]"
114 . 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 LEU N -53.00 -25.00 -43.44 -46.00 -40.06 . . 0 "[ . 1 . 2]"
115 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 THR N -44.00 -32.00 -35.15 -32.66 -33.35 0.22 4 0 "[ . 1 . 2]"
116 . 1 11 THR N 1 11 THR CA 1 11 THR C 1 12 ASP N -50.00 -34.00 -40.12 -38.92 -39.93 . . 0 "[ . 1 . 2]"
117 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 MET N -46.00 -36.00 -39.59 -46.60 -35.93 0.60 5 0 "[ . 1 . 2]"
118 . 1 13 MET N 1 13 MET CA 1 13 MET C 1 14 LEU N -47.00 -33.00 -42.31 -41.40 -41.86 0.52 18 0 "[ . 1 . 2]"
119 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 GLN N -51.00 -35.00 -42.59 -48.76 -38.36 . . 0 "[ . 1 . 2]"
120 . 1 15 GLN N 1 15 GLN CA 1 15 GLN C 1 16 THR N -49.00 -25.00 -29.23 -37.31 -22.95 2.05 5 0 "[ . 1 . 2]"
121 . 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 PHE N -54.00 -22.00 -31.00 -31.08 -31.77 . . 0 "[ . 1 . 2]"
122 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 VAL N -53.00 -37.00 -34.61 -34.34 -34.62 3.30 7 0 "[ . 1 . 2]"
123 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 PRO N -58.00 -42.00 -51.68 -51.12 -51.51 . . 0 "[ . 1 . 2]"
124 . 1 19 PRO N 1 19 PRO CA 1 19 PRO C 1 20 TYR N -49.00 -25.00 -32.52 -33.41 -36.02 0.46 3 0 "[ . 1 . 2]"
125 . 1 20 TYR N 1 20 TYR CA 1 20 TYR C 1 21 ARG N -52.00 -24.00 -31.48 -42.06 -24.16 . . 0 "[ . 1 . 2]"
126 . 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 THR N -54.00 -34.00 -42.51 -36.15 -37.93 . . 0 "[ . 1 . 2]"
127 . 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 ALA N -51.00 -31.00 -42.58 -47.39 -36.99 . . 0 "[ . 1 . 2]"
128 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 VAL N -51.00 -25.00 -37.85 -37.12 -37.24 . . 0 "[ . 1 . 2]"
129 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 GLU N -50.00 -34.00 -42.64 -43.12 -44.89 . . 0 "[ . 1 . 2]"
130 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 LEU N -49.00 -35.00 -39.60 -40.21 -40.72 2.06 17 0 "[ . 1 . 2]"
131 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 CYS N -45.00 -37.00 -43.14 -45.99 -36.21 0.99 9 0 "[ . 1 . 2]"
132 . 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 LEU N -45.00 -21.00 -34.99 -27.90 -29.21 0.95 19 0 "[ . 1 . 2]"
133 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 GLU N -50.00 -16.00 -29.95 -39.77 -47.82 0.42 9 0 "[ . 1 . 2]"
134 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 HIS N -52.00 -18.00 -42.01 -48.19 -33.85 . . 0 "[ . 1 . 2]"
135 . 1 31 HIS N 1 31 HIS CA 1 31 HIS C 1 32 GLY N -11.00 5.00 -12.15 -13.73 -6.67 2.73 2 0 "[ . 1 . 2]"
136 . 1 32 GLY N 1 32 GLY CA 1 32 GLY C 1 33 GLY N -9.00 45.00 -16.23 -21.47 22.63 12.47 3 18 "[ *+-*****1**********]"
137 . 1 33 GLY N 1 33 GLY CA 1 33 GLY C 1 34 LEU N 146.00 170.00 150.54 144.54 140.74 5.28 1 2 "[+ . - . 2]"
138 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 ASP N -58.00 -6.00 -5.75 -9.00 -26.27 4.63 15 0 "[ . 1 . 2]"
139 . 1 35 ASP N 1 35 ASP CA 1 35 ASP C 1 36 THR N -56.00 -18.00 -34.38 -40.39 -25.53 . . 0 "[ . 1 . 2]"
140 . 1 36 THR N 1 36 THR CA 1 36 THR C 1 37 CYS N -25.00 27.00 -1.61 -1.38 -3.21 . . 0 "[ . 1 . 2]"
141 . 1 38 ASP N 1 38 ASP CA 1 38 ASP C 1 39 GLY N 126.00 -172.00 143.82 131.30 159.10 . . 0 "[ . 1 . 2]"
142 . 1 41 SER N 1 41 SER CA 1 41 SER C 1 42 ASN N 147.00 173.00 162.92 169.59 168.56 1.39 18 0 "[ . 1 . 2]"
143 . 1 42 ASN N 1 42 ASN CA 1 42 ASN C 1 43 GLY N 29.00 47.00 38.00 28.85 47.35 0.35 3 0 "[ . 1 . 2]"
144 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 ILE N -19.00 33.00 -9.73 -19.27 9.61 0.27 13 0 "[ . 1 . 2]"
145 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 PRO N 94.00 156.00 125.02 117.69 131.55 . . 0 "[ . 1 . 2]"
146 . 1 45 PRO N 1 45 PRO CA 1 45 PRO C 1 46 SER N 145.00 169.00 156.91 143.56 169.95 1.44 10 0 "[ . 1 . 2]"
147 . 1 46 SER N 1 46 SER CA 1 46 SER C 1 47 PRO N 120.00 166.00 137.86 125.29 152.01 . . 0 "[ . 1 . 2]"
148 . 1 47 PRO N 1 47 PRO CA 1 47 PRO C 1 48 THR N 126.00 164.00 128.48 134.72 130.10 3.03 1 0 "[ . 1 . 2]"
149 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 THR N 124.00 -178.00 166.94 128.58 -177.47 0.53 8 0 "[ . 1 . 2]"
150 . 1 49 THR N 1 49 THR CA 1 49 THR C 1 50 THR N 127.00 173.00 130.33 124.25 177.25 4.25 19 0 "[ . 1 . 2]"
151 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 ARG N 154.00 174.00 177.46 177.34 177.16 5.11 15 1 "[ . 1 + 2]"
152 . 1 51 ARG N 1 51 ARG CA 1 51 ARG C 1 52 TYR N -43.00 3.00 -41.58 -43.07 -43.28 1.54 3 0 "[ . 1 . 2]"
153 . 1 52 TYR N 1 52 TYR CA 1 52 TYR C 1 53 VAL N -27.00 27.00 -6.97 -18.52 -18.96 0.83 7 0 "[ . 1 . 2]"
154 . 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 SER N 116.00 160.00 127.61 129.51 128.52 . . 0 "[ . 1 . 2]"
155 . 1 56 MET N 1 56 MET CA 1 56 MET C 1 57 SER N 141.00 173.00 144.94 142.78 141.50 1.03 11 0 "[ . 1 . 2]"
156 . 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 VAL N 135.00 167.00 143.95 153.58 151.31 0.34 7 0 "[ . 1 . 2]"
157 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 ALA N 111.00 131.00 117.28 115.33 114.59 . . 0 "[ . 1 . 2]"
158 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 LYS N 114.00 136.00 110.32 111.66 111.23 5.19 18 2 "[ - . 1 . + 2]"
159 . 1 60 LYS N 1 60 LYS CA 1 60 LYS C 1 61 GLY N 40.00 48.00 44.66 42.61 41.34 1.21 3 0 "[ . 1 . 2]"
160 . 1 61 GLY N 1 61 GLY CA 1 61 GLY C 1 62 VAL N -21.00 29.00 -24.34 -23.75 -24.05 5.19 16 1 "[ . 1 .+ 2]"
161 . 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 VAL N 116.00 142.00 137.49 138.36 137.17 0.63 3 0 "[ . 1 . 2]"
162 . 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 SER N 111.00 143.00 116.39 109.50 122.93 1.50 7 0 "[ . 1 . 2]"
163 . 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 LEU N 113.00 161.00 125.45 130.93 129.00 . . 0 "[ . 1 . 2]"
164 . 1 65 LEU N 1 65 LEU CA 1 65 LEU C 1 66 THR N 101.00 159.00 138.25 134.62 126.96 . . 0 "[ . 1 . 2]"
165 . 1 67 GLY N 1 67 GLY CA 1 67 GLY C 1 68 GLN N -28.00 46.00 45.81 44.39 41.85 2.06 7 0 "[ . 1 . 2]"
166 . 1 68 GLN N 1 68 GLN CA 1 68 GLN C 1 69 GLU N 129.00 177.00 124.71 121.15 127.44 7.85 19 6 "[ **. 1 * .-* +2]"
167 . 1 70 SER N 1 70 SER CA 1 70 SER C 1 71 LEU N -41.00 -15.00 -13.59 -14.62 -11.87 3.13 10 0 "[ . 1 . 2]"
168 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 ASN N -14.00 36.00 38.86 38.28 37.92 4.57 20 0 "[ . 1 . 2]"
169 . 1 72 ASN N 1 72 ASN CA 1 72 ASN C 1 73 GLY N 124.00 138.00 134.11 135.65 134.38 1.15 4 0 "[ . 1 . 2]"
170 . 1 73 GLY N 1 73 GLY CA 1 73 GLY C 1 74 LEU N -25.00 -3.00 -18.47 -18.94 -19.69 0.49 7 0 "[ . 1 . 2]"
171 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 SER N 120.00 168.00 135.61 125.70 143.96 . . 0 "[ . 1 . 2]"
172 . 1 75 SER N 1 75 SER CA 1 75 SER C 1 76 VAL N 107.00 137.00 125.30 125.53 125.23 . . 0 "[ . 1 . 2]"
173 . 1 76 VAL N 1 76 VAL CA 1 76 VAL C 1 77 VAL N 120.00 140.00 127.63 133.51 130.82 0.19 19 0 "[ . 1 . 2]"
174 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 MET N 103.00 129.00 105.60 105.26 105.07 0.63 15 0 "[ . 1 . 2]"
175 . 1 78 MET N 1 78 MET CA 1 78 MET C 1 79 THR N 111.00 141.00 111.69 109.57 118.27 1.43 17 0 "[ . 1 . 2]"
176 . 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 PRO N 77.00 167.00 96.96 103.50 100.96 . . 0 "[ . 1 . 2]"
177 . 1 80 PRO N 1 80 PRO CA 1 80 PRO C 1 81 GLY N 132.00 162.00 138.47 139.59 135.86 4.06 17 0 "[ . 1 . 2]"
178 . 1 84 ASN N 1 84 ASN CA 1 84 ASN C 1 85 ALA N -53.00 -27.00 -31.34 -43.56 -25.26 1.74 20 0 "[ . 1 . 2]"
179 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 ASN N -54.00 -6.00 -37.18 -22.92 -26.74 4.11 5 0 "[ . 1 . 2]"
180 . 1 86 ASN N 1 86 ASN CA 1 86 ASN C 1 87 GLY N -27.00 19.00 -11.37 -30.04 21.95 3.04 5 0 "[ . 1 . 2]"
181 . 1 91 TRP N 1 91 TRP CA 1 91 TRP C 1 92 ALA N 124.00 164.00 125.76 128.30 124.28 1.93 6 0 "[ . 1 . 2]"
182 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 ARG N 114.00 160.00 125.38 112.80 147.61 1.20 6 0 "[ . 1 . 2]"
183 . 1 93 ARG N 1 93 ARG CA 1 93 ARG C 1 94 ASN N 121.00 155.00 133.89 120.35 150.29 0.65 13 0 "[ . 1 . 2]"
184 . 1 94 ASN N 1 94 ASN CA 1 94 ASN C 1 95 CYS N 108.00 142.00 127.10 112.96 140.04 . . 0 "[ . 1 . 2]"
185 . 1 95 CYS N 1 95 CYS CA 1 95 CYS C 1 96 ASN N 117.00 155.00 116.72 114.54 124.93 2.46 20 0 "[ . 1 . 2]"
186 . 1 96 ASN N 1 96 ASN CA 1 96 ASN C 1 97 ILE N 107.00 145.00 104.40 103.16 102.89 4.99 15 0 "[ . 1 . 2]"
187 . 1 97 ILE N 1 97 ILE CA 1 97 ILE C 1 98 GLN N 96.00 142.00 102.48 103.14 102.20 0.85 15 0 "[ . 1 . 2]"
188 . 1 98 GLN N 1 98 GLN CA 1 98 GLN C 1 99 SER N -38.00 -4.00 -36.03 -40.65 -15.54 2.65 5 0 "[ . 1 . 2]"
189 . 1 99 SER N 1 99 SER CA 1 99 SER C 1 100 ASP N -23.00 15.00 -8.45 -8.81 -9.52 0.48 9 0 "[ . 1 . 2]"
190 . 1 101 SER N 1 101 SER CA 1 101 SER C 1 102 ALA N -45.00 -19.00 -26.71 -26.96 -27.59 . . 0 "[ . 1 . 2]"
191 . 1 102 ALA N 1 102 ALA CA 1 102 ALA C 1 103 LEU N -47.00 -27.00 -37.79 -45.77 -32.19 . . 0 "[ . 1 . 2]"
192 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 GLN N -49.00 -31.00 -33.82 -38.17 -30.59 0.41 16 0 "[ . 1 . 2]"
193 . 1 104 GLN N 1 104 GLN CA 1 104 GLN C 1 105 GLN N -52.00 -34.00 -42.12 -39.62 -40.75 . . 0 "[ . 1 . 2]"
194 . 1 105 GLN N 1 105 GLN CA 1 105 GLN C 1 106 ALA N -50.00 -32.00 -39.55 -50.39 -31.52 0.48 12 0 "[ . 1 . 2]"
195 . 1 106 ALA N 1 106 ALA CA 1 106 ALA C 1 107 CYS N -48.00 -30.00 -46.16 -48.15 -48.30 0.59 12 0 "[ . 1 . 2]"
196 . 1 107 CYS N 1 107 CYS CA 1 107 CYS C 1 108 GLU N -52.00 -38.00 -48.54 -53.53 -39.26 1.53 18 0 "[ . 1 . 2]"
197 . 1 108 GLU N 1 108 GLU CA 1 108 GLU C 1 109 ASP N -48.00 -28.00 -25.45 -22.90 -23.65 5.81 10 4 "[ * . * +- . 2]"
198 . 1 109 ASP N 1 109 ASP CA 1 109 ASP C 1 110 VAL N -51.00 -35.00 -48.39 -49.19 -49.43 4.57 7 0 "[ . 1 . 2]"
199 . 1 110 VAL N 1 110 VAL CA 1 110 VAL C 1 111 PHE N -49.00 -25.00 -46.92 -49.49 -40.06 0.49 7 0 "[ . 1 . 2]"
200 . 1 111 PHE N 1 111 PHE CA 1 111 PHE C 1 112 ARG N -18.00 14.00 17.94 24.49 24.19 12.50 10 17 "[*********+****- * *]"
201 . 1 112 ARG N 1 112 ARG CA 1 112 ARG C 1 113 PHE N 114.00 150.00 138.62 144.33 142.34 4.91 18 0 "[ . 1 . 2]"
202 . 1 113 PHE N 1 113 PHE CA 1 113 PHE C 1 114 ASP N 112.00 138.00 119.61 104.95 131.60 7.05 18 1 "[ . 1 . + 2]"
203 . 1 114 ASP N 1 114 ASP CA 1 114 ASP C 1 115 ASP N 106.00 158.00 140.01 116.34 160.49 2.49 10 0 "[ . 1 . 2]"
204 . 1 116 ALA N 1 116 ALA CA 1 116 ALA C 1 117 ASN N -49.00 -19.00 -26.54 -49.37 -17.65 1.35 6 0 "[ . 1 . 2]"
205 . 1 117 ASN N 1 117 ASN CA 1 117 ASN C 1 118 LEU N -27.00 21.00 -4.62 -27.60 24.15 3.15 1 0 "[ . 1 . 2]"
206 . 1 118 LEU N 1 118 LEU CA 1 118 LEU C 1 119 VAL N 94.00 -154.00 127.73 92.63 -162.36 1.37 20 0 "[ . 1 . 2]"
207 . 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 PRO N 110.00 158.00 123.85 115.00 134.00 . . 0 "[ . 1 . 2]"
208 . 1 120 PRO N 1 120 PRO CA 1 120 PRO C 1 121 ARG N 134.00 166.00 137.36 144.21 138.03 2.01 11 0 "[ . 1 . 2]"
209 . 1 121 ARG N 1 121 ARG CA 1 121 ARG C 1 122 GLY N 100.00 146.00 112.27 96.99 142.96 3.01 20 0 "[ . 1 . 2]"
210 . 1 122 GLY N 1 122 GLY CA 1 122 GLY C 1 123 SER N 89.00 -145.00 148.92 170.69 158.40 1.02 4 0 "[ . 1 . 2]"
211 . 1 123 SER N 1 123 SER CA 1 123 SER C 1 124 GLY N 121.00 161.00 133.29 137.64 125.88 5.24 8 1 "[ . + 1 . 2]"
212 . 1 124 GLY N 1 124 GLY CA 1 124 GLY C 1 125 LEU N -32.00 32.00 -1.84 -26.20 -32.24 3.91 8 0 "[ . 1 . 2]"
213 . 1 125 LEU N 1 125 LEU CA 1 125 LEU C 1 126 GLU N 91.00 179.00 94.37 95.13 91.41 3.56 1 0 "[ . 1 . 2]"
214 . 1 126 GLU N 1 126 GLU CA 1 126 GLU C 1 127 HIS N -52.00 6.00 -32.04 -52.25 -9.25 0.25 3 0 "[ . 1 . 2]"
215 . 1 127 HIS N 1 127 HIS CA 1 127 HIS C 1 128 HIS N 62.00 170.00 113.87 73.87 170.86 0.86 9 0 "[ . 1 . 2]"
216 . 1 128 HIS N 1 128 HIS CA 1 128 HIS C 1 129 HIS N 108.00 162.00 124.42 123.49 116.09 2.98 11 0 "[ . 1 . 2]"
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