NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
582530 |
2mf7   |
19538 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mf7
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 188
_TA_constraint_stats_list.Viol_count 308
_TA_constraint_stats_list.Viol_total 6433.16
_TA_constraint_stats_list.Viol_max 4.92
_TA_constraint_stats_list.Viol_rms 0.38
_TA_constraint_stats_list.Viol_average_all_restraints 0.09
_TA_constraint_stats_list.Viol_average_violations_only 1.04
_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 SER C 1 6 GLY N 1 6 GLY CA 1 6 GLY C -73.10 -51.76 -55.26 -61.25 -49.35 2.41 5 0 "[ . 1 . 2]"
2 . 1 6 GLY C 1 7 ASP N 1 7 ASP CA 1 7 ASP C -74.02 -53.18 -61.63 -61.74 -62.45 . . 0 "[ . 1 . 2]"
3 . 1 7 ASP C 1 8 THR N 1 8 THR CA 1 8 THR C -73.68 -52.84 -61.59 -60.74 -61.11 . . 0 "[ . 1 . 2]"
4 . 1 8 THR C 1 9 GLN N 1 9 GLN CA 1 9 GLN C -76.57 -55.73 -64.05 -63.43 -63.78 . . 0 "[ . 1 . 2]"
5 . 1 9 GLN C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -74.47 -53.63 -63.17 -62.49 -62.80 . . 0 "[ . 1 . 2]"
6 . 1 10 LEU C 1 11 PHE N 1 11 PHE CA 1 11 PHE C -75.53 -54.69 -59.23 -61.26 -55.61 . . 0 "[ . 1 . 2]"
7 . 1 11 PHE C 1 12 ASN N 1 12 ASN CA 1 12 ASN C -73.52 -52.68 -62.50 -63.07 -63.71 . . 0 "[ . 1 . 2]"
8 . 1 12 ASN C 1 13 ARG N 1 13 ARG CA 1 13 ARG C -73.03 -52.19 -64.90 -67.70 -61.35 . . 0 "[ . 1 . 2]"
9 . 1 13 ARG C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -76.11 -55.27 -66.16 -69.35 -70.35 . . 0 "[ . 1 . 2]"
10 . 1 14 ALA C 1 15 VAL N 1 15 VAL CA 1 15 VAL C -72.49 -51.65 -63.00 -65.72 -60.90 . . 0 "[ . 1 . 2]"
11 . 1 15 VAL C 1 16 SER N 1 16 SER CA 1 16 SER C -74.36 -53.52 -60.91 -63.53 -58.45 . . 0 "[ . 1 . 2]"
12 . 1 16 SER C 1 17 MET N 1 17 MET CA 1 17 MET C -73.40 -52.56 -65.34 -65.86 -65.87 . . 0 "[ . 1 . 2]"
13 . 1 17 MET C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -73.77 -52.93 -72.17 -76.33 -69.42 2.56 12 0 "[ . 1 . 2]"
14 . 1 18 VAL C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -74.45 -53.61 -61.91 -62.00 -62.46 . . 0 "[ . 1 . 2]"
15 . 1 19 GLU C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -96.25 -75.41 -94.98 -95.85 -96.26 0.81 7 0 "[ . 1 . 2]"
16 . 1 20 LYS C 1 21 ASN N 1 21 ASN CA 1 21 ASN C -90.99 -48.49 -72.27 -66.87 -67.85 . . 0 "[ . 1 . 2]"
17 . 1 21 ASN C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -63.59 -42.75 -53.36 -56.75 -57.76 . . 0 "[ . 1 . 2]"
18 . 1 22 LYS C 1 23 ASP N 1 23 ASP CA 1 23 ASP C -78.94 -48.10 -64.32 -70.32 -61.14 . . 0 "[ . 1 . 2]"
19 . 1 23 ASP C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -74.85 -54.01 -64.16 -65.33 -66.23 . . 0 "[ . 1 . 2]"
20 . 1 24 ILE C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -71.68 -50.84 -55.49 -58.91 -53.28 . . 0 "[ . 1 . 2]"
21 . 1 25 ARG C 1 26 SER N 1 26 SER CA 1 26 SER C -79.64 -58.80 -61.24 -63.04 -58.88 . . 0 "[ . 1 . 2]"
22 . 1 26 SER C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -74.57 -53.73 -63.54 -64.34 -64.53 . . 0 "[ . 1 . 2]"
23 . 1 27 LEU C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -94.20 -72.52 -77.44 -77.55 -77.92 0.47 3 0 "[ . 1 . 2]"
24 . 1 28 LEU C 1 29 GLN N 1 29 GLN CA 1 29 GLN C 44.35 66.85 55.66 59.65 58.97 . . 0 "[ . 1 . 2]"
25 . 1 36 GLY C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -115.92 -72.58 -110.27 -105.25 -106.57 1.46 14 0 "[ . 1 . 2]"
26 . 1 37 LYS C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -89.34 -39.34 -88.18 -91.55 -80.22 2.21 6 0 "[ . 1 . 2]"
27 . 1 38 GLU C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -107.45 -64.95 -95.22 -85.04 -89.78 0.68 18 0 "[ . 1 . 2]"
28 . 1 39 ARG C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -96.79 -54.29 -78.22 -88.57 -97.44 3.43 8 0 "[ . 1 . 2]"
29 . 1 40 LEU C 1 41 LYS N 1 41 LYS CA 1 41 LYS C -134.10 -103.60 -127.22 -131.79 -133.07 0.90 20 0 "[ . 1 . 2]"
30 . 1 41 LYS C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -156.40 -124.72 -137.13 -137.76 -138.39 . . 0 "[ . 1 . 2]"
31 . 1 42 ALA C 1 43 TYR N 1 43 TYR CA 1 43 TYR C -178.50 -148.00 -157.81 -164.12 -164.25 . . 0 "[ . 1 . 2]"
32 . 1 57 PRO C 1 58 ILE N 1 58 ILE CA 1 58 ILE C -122.72 -22.22 -51.97 -52.11 -54.11 1.69 9 0 "[ . 1 . 2]"
33 . 1 58 ILE C 1 59 VAL N 1 59 VAL CA 1 59 VAL C 154.42 -105.08 -139.35 -157.46 -129.55 . . 0 "[ . 1 . 2]"
34 . 1 59 VAL C 1 60 SER N 1 60 SER CA 1 60 SER C -169.45 -68.95 -109.79 -69.98 -100.83 . . 0 "[ . 1 . 2]"
35 . 1 60 SER C 1 61 THR N 1 61 THR CA 1 61 THR C -168.09 -67.59 -68.81 -88.03 -65.31 2.28 8 0 "[ . 1 . 2]"
36 . 1 61 THR C 1 62 LYS N 1 62 LYS CA 1 62 LYS C -157.13 -56.63 -81.77 -131.08 -59.18 . . 0 "[ . 1 . 2]"
37 . 1 62 LYS C 1 63 LYS N 1 63 LYS CA 1 63 LYS C 160.21 -99.29 -123.95 -143.82 -101.31 . . 0 "[ . 1 . 2]"
38 . 1 63 LYS C 1 64 LEU N 1 64 LEU CA 1 64 LEU C -126.99 -26.49 -105.69 -125.18 -88.71 . . 0 "[ . 1 . 2]"
39 . 1 64 LEU C 1 65 ASP N 1 65 ASP CA 1 65 ASP C -132.13 -28.79 -98.88 -79.88 -84.10 . . 0 "[ . 1 . 2]"
40 . 1 65 ASP C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -112.48 -9.14 -43.73 -42.10 -45.80 . . 0 "[ . 1 . 2]"
41 . 1 66 LYS C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -130.69 -26.51 -62.12 -64.02 -64.87 . . 0 "[ . 1 . 2]"
42 . 1 67 GLU C 1 68 GLY N 1 68 GLY CA 1 68 GLY C 21.65 110.37 87.94 77.47 107.72 . . 0 "[ . 1 . 2]"
43 . 1 68 GLY C 1 69 ARG N 1 69 ARG CA 1 69 ARG C -158.06 -74.72 -120.49 -126.07 -127.05 . . 0 "[ . 1 . 2]"
44 . 1 69 ARG C 1 70 THR N 1 70 THR CA 1 70 THR C -109.40 -56.90 -75.27 -97.50 -62.59 . . 0 "[ . 1 . 2]"
45 . 1 70 THR C 1 71 HIS N 1 71 HIS CA 1 71 HIS C -137.28 -85.60 -89.05 -88.99 -90.94 1.01 5 0 "[ . 1 . 2]"
46 . 1 71 HIS C 1 72 HIS N 1 72 HIS CA 1 72 HIS C -139.33 -76.83 -101.70 -101.57 -103.48 . . 0 "[ . 1 . 2]"
47 . 1 72 HIS C 1 73 TYR N 1 73 TYR CA 1 73 TYR C -152.87 -96.37 -105.23 -122.12 -95.82 0.55 15 0 "[ . 1 . 2]"
48 . 1 73 TYR C 1 74 MET N 1 74 MET CA 1 74 MET C -173.75 -112.07 -129.38 -124.20 -126.56 0.36 5 0 "[ . 1 . 2]"
49 . 1 74 MET C 1 75 ARG N 1 75 ARG CA 1 75 ARG C -156.25 -94.57 -133.92 -145.95 -120.91 . . 0 "[ . 1 . 2]"
50 . 1 75 ARG C 1 76 PHE N 1 76 PHE CA 1 76 PHE C -175.25 -133.57 -149.89 -152.35 -146.69 . . 0 "[ . 1 . 2]"
51 . 1 76 PHE C 1 77 HIS N 1 77 HIS CA 1 77 HIS C -142.43 -100.75 -105.02 -106.06 -107.11 0.79 11 0 "[ . 1 . 2]"
52 . 1 77 HIS C 1 78 VAL N 1 78 VAL CA 1 78 VAL C -148.12 -106.44 -129.68 -130.88 -130.90 . . 0 "[ . 1 . 2]"
53 . 1 78 VAL C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -146.79 -105.11 -106.87 -102.89 -104.06 2.75 2 0 "[ . 1 . 2]"
54 . 1 79 GLU C 1 80 SER N 1 80 SER CA 1 80 SER C -128.62 -86.94 -87.47 -85.80 -85.93 1.97 6 0 "[ . 1 . 2]"
55 . 1 80 SER C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -72.23 -51.39 -65.00 -64.49 -64.58 . . 0 "[ . 1 . 2]"
56 . 1 81 LYS C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -131.58 -110.74 -124.24 -128.56 -129.71 0.30 12 0 "[ . 1 . 2]"
57 . 1 82 LYS C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -165.10 -123.42 -134.36 -145.32 -122.61 0.81 7 0 "[ . 1 . 2]"
58 . 1 83 LYS C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -138.21 -96.53 -104.88 -110.59 -96.83 . . 0 "[ . 1 . 2]"
59 . 1 84 ILE C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -134.17 -92.49 -116.07 -115.87 -117.29 . . 0 "[ . 1 . 2]"
60 . 1 85 ALA C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -131.30 -89.62 -111.33 -112.83 -113.74 . . 0 "[ . 1 . 2]"
61 . 1 86 LEU C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -128.86 -87.18 -117.26 -115.18 -115.31 . . 0 "[ . 1 . 2]"
62 . 1 87 VAL C 1 88 HIS N 1 88 HIS CA 1 88 HIS C -139.99 -98.31 -124.17 -122.22 -123.90 . . 0 "[ . 1 . 2]"
63 . 1 88 HIS C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -161.63 -119.95 -125.27 -133.28 -118.31 1.64 13 0 "[ . 1 . 2]"
64 . 1 89 LEU C 1 90 GLU N 1 90 GLU CA 1 90 GLU C -148.57 -106.89 -117.21 -124.74 -110.84 . . 0 "[ . 1 . 2]"
65 . 1 90 GLU C 1 91 ALA N 1 91 ALA CA 1 91 ALA C -148.80 -107.12 -134.19 -147.90 -120.70 . . 0 "[ . 1 . 2]"
66 . 1 91 ALA C 1 92 LYS N 1 92 LYS CA 1 92 LYS C -158.15 -116.47 -126.83 -131.64 -133.54 0.19 9 0 "[ . 1 . 2]"
67 . 1 92 LYS C 1 93 GLU N 1 93 GLU CA 1 93 GLU C -88.21 -25.71 -73.36 -76.87 -80.40 0.05 11 0 "[ . 1 . 2]"
68 . 1 93 GLU C 1 94 SER N 1 94 SER CA 1 94 SER C -145.99 -62.65 -65.89 -78.44 -60.29 2.36 4 0 "[ . 1 . 2]"
69 . 1 94 SER C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -145.00 -55.00 -120.82 -68.13 -122.66 3.12 8 0 "[ . 1 . 2]"
70 . 1 95 LYS C 1 96 GLN N 1 96 GLN CA 1 96 GLN C -165.00 -55.00 -116.90 -101.77 -105.54 . . 0 "[ . 1 . 2]"
71 . 1 96 GLN C 1 97 ASN N 1 97 ASN CA 1 97 ASN C -115.64 -11.46 -69.72 -100.04 -52.65 . . 0 "[ . 1 . 2]"
72 . 1 97 ASN C 1 98 TYR N 1 98 TYR CA 1 98 TYR C -116.09 -53.59 -63.03 -69.10 -59.54 . . 0 "[ . 1 . 2]"
73 . 1 98 TYR C 1 99 GLN N 1 99 GLN CA 1 99 GLN C -116.09 -53.59 -109.16 -100.20 -109.73 2.93 1 0 "[ . 1 . 2]"
74 . 1 99 GLN C 1 100 PRO N 1 100 PRO CA 1 100 PRO C -107.42 -22.64 -70.21 -75.29 -63.30 . . 0 "[ . 1 . 2]"
75 . 1 100 PRO C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -100.29 -56.95 -74.55 -83.87 -63.80 . . 0 "[ . 1 . 2]"
76 . 1 101 ASP C 1 102 PHE N 1 102 PHE CA 1 102 PHE C -110.86 -67.52 -75.70 -80.71 -88.67 1.43 16 0 "[ . 1 . 2]"
77 . 1 102 PHE C 1 103 ILE N 1 103 ILE CA 1 103 ILE C -112.00 -68.00 -73.42 -70.65 -79.90 2.18 3 0 "[ . 1 . 2]"
78 . 1 103 ILE C 1 104 ASN N 1 104 ASN CA 1 104 ASN C -175.00 -135.00 -149.06 -159.60 -133.64 1.36 16 0 "[ . 1 . 2]"
79 . 1 104 ASN C 1 105 MET N 1 105 MET CA 1 105 MET C -173.84 -132.16 -163.34 -160.82 -161.48 . . 0 "[ . 1 . 2]"
80 . 1 105 MET C 1 106 TYR N 1 106 TYR CA 1 106 TYR C -161.54 -119.86 -144.96 -145.51 -145.96 . . 0 "[ . 1 . 2]"
81 . 1 106 TYR C 1 107 VAL N 1 107 VAL CA 1 107 VAL C -151.71 -110.03 -117.76 -122.93 -113.20 . . 0 "[ . 1 . 2]"
82 . 1 107 VAL C 1 108 ASP N 1 108 ASP CA 1 108 ASP C -132.08 -90.40 -102.64 -102.01 -102.61 . . 0 "[ . 1 . 2]"
83 . 1 108 ASP C 1 109 VAL N 1 109 VAL CA 1 109 VAL C -138.02 -96.34 -108.31 -114.00 -119.52 . . 0 "[ . 1 . 2]"
84 . 1 109 VAL C 1 110 PRO N 1 110 PRO CA 1 110 PRO C -87.47 -23.89 -61.30 -73.07 -56.05 . . 0 "[ . 1 . 2]"
85 . 1 110 PRO C 1 111 GLY N 1 111 GLY CA 1 111 GLY C 63.60 102.14 72.53 63.99 95.03 . . 0 "[ . 1 . 2]"
86 . 1 111 GLY C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -151.32 -88.82 -107.14 -106.81 -112.35 1.32 4 0 "[ . 1 . 2]"
87 . 1 112 GLU C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -113.80 -51.30 -76.19 -94.27 -64.14 . . 0 "[ . 1 . 2]"
88 . 1 113 LYS C 1 114 ARG N 1 114 ARG CA 1 114 ARG C -75.54 -33.04 -63.67 -76.17 -54.10 0.63 4 0 "[ . 1 . 2]"
89 . 1 114 ARG C 1 115 TYR N 1 115 TYR CA 1 115 TYR C -139.64 -97.14 -109.94 -133.55 -96.32 0.82 11 0 "[ . 1 . 2]"
90 . 1 115 TYR C 1 116 TYR N 1 116 TYR CA 1 116 TYR C -111.47 -68.13 -96.89 -104.30 -90.55 . . 0 "[ . 1 . 2]"
91 . 1 116 TYR C 1 117 LEU N 1 117 LEU CA 1 117 LEU C -99.61 -56.27 -63.97 -66.01 -62.83 . . 0 "[ . 1 . 2]"
92 . 1 117 LEU C 1 118 ILE N 1 118 ILE CA 1 118 ILE C -164.82 -122.32 -122.29 -121.37 -121.98 3.82 18 0 "[ . 1 . 2]"
93 . 1 118 ILE C 1 119 LYS N 1 119 LYS CA 1 119 LYS C -113.74 -51.24 -90.07 -96.62 -82.44 . . 0 "[ . 1 . 2]"
94 . 1 119 LYS C 1 120 PRO N 1 120 PRO CA 1 120 PRO C -105.27 -20.49 -68.47 -68.04 -68.74 . . 0 "[ . 1 . 2]"
95 . 1 6 GLY N 1 6 GLY CA 1 6 GLY C 1 7 ASP N -83.50 -40.46 -53.39 -70.92 -43.13 . . 0 "[ . 1 . 2]"
96 . 1 7 ASP N 1 7 ASP CA 1 7 ASP C 1 8 THR N -45.96 -23.38 -42.82 -47.30 -33.62 1.34 10 0 "[ . 1 . 2]"
97 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 GLN N -59.68 -37.10 -47.55 -46.64 -46.86 . . 0 "[ . 1 . 2]"
98 . 1 9 GLN N 1 9 GLN CA 1 9 GLN C 1 10 LEU N -48.59 -26.01 -48.17 -46.01 -46.64 2.27 5 0 "[ . 1 . 2]"
99 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 PHE N -56.23 -33.65 -40.73 -43.39 -37.75 . . 0 "[ . 1 . 2]"
100 . 1 11 PHE N 1 11 PHE CA 1 11 PHE C 1 12 ASN N -58.48 -35.90 -49.67 -50.31 -50.65 . . 0 "[ . 1 . 2]"
101 . 1 12 ASN N 1 12 ASN CA 1 12 ASN C 1 13 ARG N -51.77 -29.19 -44.00 -46.55 -40.84 . . 0 "[ . 1 . 2]"
102 . 1 13 ARG N 1 13 ARG CA 1 13 ARG C 1 14 ALA N -55.17 -32.59 -45.85 -51.09 -42.09 . . 0 "[ . 1 . 2]"
103 . 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 VAL N -54.63 -32.05 -50.83 -53.95 -47.69 . . 0 "[ . 1 . 2]"
104 . 1 15 VAL N 1 15 VAL CA 1 15 VAL C 1 16 SER N -47.00 -24.42 -40.65 -41.61 -41.90 . . 0 "[ . 1 . 2]"
105 . 1 16 SER N 1 16 SER CA 1 16 SER C 1 17 MET N -50.42 -27.84 -45.26 -45.01 -45.17 . . 0 "[ . 1 . 2]"
106 . 1 17 MET N 1 17 MET CA 1 17 MET C 1 18 VAL N -54.12 -31.54 -43.70 -46.05 -42.31 . . 0 "[ . 1 . 2]"
107 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 GLU N -58.08 -35.50 -44.16 -50.46 -40.36 . . 0 "[ . 1 . 2]"
108 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 LYS N -42.13 -19.55 -37.39 -37.67 -38.16 . . 0 "[ . 1 . 2]"
109 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 ASN N -16.54 6.04 -3.92 -9.96 6.02 . . 0 "[ . 1 . 2]"
110 . 1 21 ASN N 1 21 ASN CA 1 21 ASN C 1 22 LYS N 101.46 127.18 120.84 113.18 128.07 0.89 5 0 "[ . 1 . 2]"
111 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 ASP N -59.74 -27.16 -44.71 -41.28 -42.23 . . 0 "[ . 1 . 2]"
112 . 1 23 ASP N 1 23 ASP CA 1 23 ASP C 1 24 ILE N -55.43 -32.85 -47.00 -48.70 -49.23 . . 0 "[ . 1 . 2]"
113 . 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 ARG N -50.84 -28.26 -43.12 -43.20 -43.35 . . 0 "[ . 1 . 2]"
114 . 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 SER N -46.01 -23.43 -43.21 -41.55 -42.15 . . 0 "[ . 1 . 2]"
115 . 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 LEU N -50.58 -28.00 -42.57 -44.41 -40.57 . . 0 "[ . 1 . 2]"
116 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 LEU N -42.33 -19.75 -40.67 -42.25 -39.14 . . 0 "[ . 1 . 2]"
117 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 GLN N -12.84 6.28 -1.51 -14.02 5.00 1.18 20 0 "[ . 1 . 2]"
118 . 1 29 GLN N 1 29 GLN CA 1 29 GLN C 1 30 CYS N 24.68 70.40 36.86 34.71 33.53 . . 0 "[ . 1 . 2]"
119 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 GLU N 119.56 169.56 119.29 116.30 125.83 3.26 6 0 "[ . 1 . 2]"
120 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 ARG N 117.45 163.17 150.15 120.22 163.18 0.01 10 0 "[ . 1 . 2]"
121 . 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 LEU N 86.66 132.38 128.07 91.54 134.15 1.77 12 0 "[ . 1 . 2]"
122 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 LYS N 131.04 -179.24 139.05 130.17 152.29 0.87 3 0 "[ . 1 . 2]"
123 . 1 41 LYS N 1 41 LYS CA 1 41 LYS C 1 42 ALA N 120.96 166.68 144.36 135.75 157.18 . . 0 "[ . 1 . 2]"
124 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 TYR N 127.48 172.66 134.65 134.06 133.69 . . 0 "[ . 1 . 2]"
125 . 1 43 TYR N 1 43 TYR CA 1 43 TYR C 1 44 GLY N 144.66 -169.62 169.39 167.57 165.33 . . 0 "[ . 1 . 2]"
126 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 VAL N 69.89 175.61 85.28 107.33 91.46 . . 0 "[ . 1 . 2]"
127 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 SER N 104.63 -149.65 157.68 104.10 -168.68 0.53 2 0 "[ . 1 . 2]"
128 . 1 60 SER N 1 60 SER CA 1 60 SER C 1 61 THR N 110.77 -143.51 120.31 129.68 123.23 0.74 5 0 "[ . 1 . 2]"
129 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 LYS N 89.76 -164.52 117.76 99.51 94.46 1.61 14 0 "[ . 1 . 2]"
130 . 1 62 LYS N 1 62 LYS CA 1 62 LYS C 1 63 LYS N 81.48 -166.80 113.21 130.84 126.63 . . 0 "[ . 1 . 2]"
131 . 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 LEU N 75.46 -172.82 130.19 134.89 133.15 . . 0 "[ . 1 . 2]"
132 . 1 64 LEU N 1 64 LEU CA 1 64 LEU C 1 65 ASP N 86.52 -167.76 108.52 85.97 127.29 0.55 2 0 "[ . 1 . 2]"
133 . 1 65 ASP N 1 65 ASP CA 1 65 ASP C 1 66 LYS N 128.42 -125.34 176.60 145.54 -162.12 . . 0 "[ . 1 . 2]"
134 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 GLU N -71.20 35.04 -23.62 -42.27 -10.35 . . 0 "[ . 1 . 2]"
135 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 GLY N -47.99 38.79 -33.78 -38.30 -22.19 . . 0 "[ . 1 . 2]"
136 . 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 ARG N -29.23 40.91 11.56 17.77 14.67 . . 0 "[ . 1 . 2]"
137 . 1 69 ARG N 1 69 ARG CA 1 69 ARG C 1 70 THR N 109.11 175.35 133.79 137.63 136.45 . . 0 "[ . 1 . 2]"
138 . 1 70 THR N 1 70 THR CA 1 70 THR C 1 71 HIS N 103.81 149.53 123.92 109.27 129.94 . . 0 "[ . 1 . 2]"
139 . 1 71 HIS N 1 71 HIS CA 1 71 HIS C 1 72 HIS N 120.11 165.29 130.16 128.31 127.21 . . 0 "[ . 1 . 2]"
140 . 1 72 HIS N 1 72 HIS CA 1 72 HIS C 1 73 TYR N 103.28 169.00 113.57 122.31 119.38 0.22 15 0 "[ . 1 . 2]"
141 . 1 73 TYR N 1 73 TYR CA 1 73 TYR C 1 74 MET N 97.41 163.13 107.94 96.20 123.92 1.21 14 0 "[ . 1 . 2]"
142 . 1 74 MET N 1 74 MET CA 1 74 MET C 1 75 ARG N 103.61 168.79 128.60 134.45 131.48 . . 0 "[ . 1 . 2]"
143 . 1 75 ARG N 1 75 ARG CA 1 75 ARG C 1 76 PHE N 104.69 169.87 145.24 135.07 152.92 . . 0 "[ . 1 . 2]"
144 . 1 76 PHE N 1 76 PHE CA 1 76 PHE C 1 77 HIS N 144.97 -163.85 158.91 151.18 163.54 . . 0 "[ . 1 . 2]"
145 . 1 77 HIS N 1 77 HIS CA 1 77 HIS C 1 78 VAL N 125.63 170.81 143.56 137.45 149.04 . . 0 "[ . 1 . 2]"
146 . 1 78 VAL N 1 78 VAL CA 1 78 VAL C 1 79 GLU N 137.03 174.21 153.25 135.87 160.36 1.16 4 0 "[ . 1 . 2]"
147 . 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 SER N 111.19 156.37 119.13 118.92 118.27 0.32 13 0 "[ . 1 . 2]"
148 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 LYS N 156.50 -170.32 -175.72 172.81 -169.49 0.83 4 0 "[ . 1 . 2]"
149 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 LYS N -31.57 1.01 -33.13 -30.29 -31.72 4.53 6 0 "[ . 1 . 2]"
150 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 LYS N -39.10 -6.52 -22.50 -39.59 -5.93 0.59 12 0 "[ . 1 . 2]"
151 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 ILE N 144.57 177.75 165.03 172.04 168.12 0.77 5 0 "[ . 1 . 2]"
152 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 ALA N 108.99 142.17 126.41 126.15 124.86 . . 0 "[ . 1 . 2]"
153 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 LEU N 134.40 167.58 157.00 157.18 156.69 . . 0 "[ . 1 . 2]"
154 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 VAL N 114.82 148.00 130.88 132.27 131.50 . . 0 "[ . 1 . 2]"
155 . 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 HIS N 121.59 144.77 129.51 127.58 132.15 . . 0 "[ . 1 . 2]"
156 . 1 88 HIS N 1 88 HIS CA 1 88 HIS C 1 89 LEU N 116.49 149.67 121.31 116.82 125.84 . . 0 "[ . 1 . 2]"
157 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 GLU N 114.99 160.17 132.21 132.67 132.00 . . 0 "[ . 1 . 2]"
158 . 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 ALA N 104.60 149.78 127.32 138.42 133.84 . . 0 "[ . 1 . 2]"
159 . 1 91 ALA N 1 91 ALA CA 1 91 ALA C 1 92 LYS N 143.06 -171.76 157.50 150.95 165.82 . . 0 "[ . 1 . 2]"
160 . 1 92 LYS N 1 92 LYS CA 1 92 LYS C 1 93 GLU N 119.18 164.36 135.84 124.11 143.96 . . 0 "[ . 1 . 2]"
161 . 1 93 GLU N 1 93 GLU CA 1 93 GLU C 1 94 SER N 109.41 155.13 124.33 107.50 149.43 1.91 2 0 "[ . 1 . 2]"
162 . 1 94 SER N 1 94 SER CA 1 94 SER C 1 95 LYS N 156.50 -77.26 -104.38 153.14 -72.34 4.92 4 0 "[ . 1 . 2]"
163 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 GLN N -76.21 47.29 -59.75 -45.57 -57.90 0.43 20 0 "[ . 1 . 2]"
164 . 1 96 GLN N 1 96 GLN CA 1 96 GLN C 1 97 ASN N -101.97 24.81 -1.10 -35.53 25.63 0.82 19 0 "[ . 1 . 2]"
165 . 1 97 ASN N 1 97 ASN CA 1 97 ASN C 1 98 TYR N 87.00 -166.22 142.94 133.78 160.44 . . 0 "[ . 1 . 2]"
166 . 1 98 TYR N 1 98 TYR CA 1 98 TYR C 1 99 GLN N -92.04 -5.80 -44.16 -47.50 -48.69 . . 0 "[ . 1 . 2]"
167 . 1 99 GLN N 1 99 GLN CA 1 99 GLN C 1 100 PRO N 112.46 178.18 133.29 155.80 152.71 1.89 4 0 "[ . 1 . 2]"
168 . 1 100 PRO N 1 100 PRO CA 1 100 PRO C 1 101 ASP N 95.33 -164.91 152.49 147.01 164.91 . . 0 "[ . 1 . 2]"
169 . 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 PHE N 117.26 163.50 132.12 118.48 145.67 . . 0 "[ . 1 . 2]"
170 . 1 102 PHE N 1 102 PHE CA 1 102 PHE C 1 103 ILE N 98.48 144.72 103.26 95.89 130.80 2.59 10 0 "[ . 1 . 2]"
171 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 ASN N -60.77 -14.53 -47.61 -47.06 -52.38 . . 0 "[ . 1 . 2]"
172 . 1 104 ASN N 1 104 ASN CA 1 104 ASN C 1 105 MET N 119.83 165.55 148.36 123.41 158.04 . . 0 "[ . 1 . 2]"
173 . 1 105 MET N 1 105 MET CA 1 105 MET C 1 106 TYR N 101.98 147.16 127.17 120.61 133.26 . . 0 "[ . 1 . 2]"
174 . 1 106 TYR N 1 106 TYR CA 1 106 TYR C 1 107 VAL N 135.40 -179.42 161.08 159.24 164.25 . . 0 "[ . 1 . 2]"
175 . 1 107 VAL N 1 107 VAL CA 1 107 VAL C 1 108 ASP N 102.64 147.82 127.68 122.17 131.11 . . 0 "[ . 1 . 2]"
176 . 1 108 ASP N 1 108 ASP CA 1 108 ASP C 1 109 VAL N 100.21 145.39 109.01 101.79 116.17 . . 0 "[ . 1 . 2]"
177 . 1 109 VAL N 1 109 VAL CA 1 109 VAL C 1 110 PRO N 109.61 154.79 127.75 127.77 125.33 . . 0 "[ . 1 . 2]"
178 . 1 110 PRO N 1 110 PRO CA 1 110 PRO C 1 111 GLY N 93.20 169.20 139.96 133.71 120.22 . . 0 "[ . 1 . 2]"
179 . 1 111 GLY N 1 111 GLY CA 1 111 GLY C 1 112 GLU N -36.26 32.42 -19.03 -37.66 6.42 1.40 17 0 "[ . 1 . 2]"
180 . 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 LYS N 126.60 172.32 165.58 158.56 149.66 0.98 15 0 "[ . 1 . 2]"
181 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 ARG N 118.96 164.68 146.03 140.39 138.68 . . 0 "[ . 1 . 2]"
182 . 1 114 ARG N 1 114 ARG CA 1 114 ARG C 1 115 TYR N 108.47 154.19 134.62 122.19 117.61 . . 0 "[ . 1 . 2]"
183 . 1 115 TYR N 1 115 TYR CA 1 115 TYR C 1 116 TYR N 96.77 142.49 124.51 118.17 129.84 . . 0 "[ . 1 . 2]"
184 . 1 116 TYR N 1 116 TYR CA 1 116 TYR C 1 117 LEU N 99.51 145.75 98.80 96.87 103.65 2.64 3 0 "[ . 1 . 2]"
185 . 1 117 LEU N 1 117 LEU CA 1 117 LEU C 1 118 ILE N -69.58 -3.34 -43.38 -43.34 -43.59 . . 0 "[ . 1 . 2]"
186 . 1 118 ILE N 1 118 ILE CA 1 118 ILE C 1 119 LYS N 92.21 137.93 124.95 126.31 125.82 . . 0 "[ . 1 . 2]"
187 . 1 119 LYS N 1 119 LYS CA 1 119 LYS C 1 120 PRO N 100.94 166.66 128.58 109.19 145.90 . . 0 "[ . 1 . 2]"
188 . 1 120 PRO N 1 120 PRO CA 1 120 PRO C 1 121 LYS N 91.48 -168.76 159.96 115.94 -167.62 1.14 5 0 "[ . 1 . 2]"
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