NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
443947 |
2kfw   |
16240 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kfw
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 227
_TA_constraint_stats_list.Viol_count 634
_TA_constraint_stats_list.Viol_total 2143.45
_TA_constraint_stats_list.Viol_max 2.52
_TA_constraint_stats_list.Viol_rms 0.11
_TA_constraint_stats_list.Viol_average_all_restraints 0.02
_TA_constraint_stats_list.Viol_average_violations_only 0.17
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 1 MET C 1 2 LYS N 1 2 LYS CA 1 2 LYS C -173.72 -70.88 -130.81 -170.84 -92.71 . . 0 "[ . 1 . 2]"
2 . 1 2 LYS C 1 3 VAL N 1 3 VAL CA 1 3 VAL C -85.33 -51.09 -63.89 -85.34 -50.89 0.20 19 0 "[ . 1 . 2]"
3 . 1 3 VAL C 1 4 ALA N 1 4 ALA CA 1 4 ALA C -175.14 -70.34 -147.55 -154.45 -156.33 0.17 4 0 "[ . 1 . 2]"
4 . 1 7 LEU C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -113.59 -51.27 -59.75 -77.76 -51.14 0.13 15 0 "[ . 1 . 2]"
5 . 1 8 VAL C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -143.65 -82.49 -134.00 -140.37 -142.98 0.19 1 0 "[ . 1 . 2]"
6 . 1 9 VAL C 1 10 SER N 1 10 SER CA 1 10 SER C -149.24 -89.12 -91.54 -96.57 -88.79 0.33 17 0 "[ . 1 . 2]"
7 . 1 10 SER C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -159.63 -67.23 -135.22 -149.14 -114.51 . . 0 "[ . 1 . 2]"
8 . 1 11 LEU C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -167.76 -77.44 -84.57 -106.02 -77.27 0.17 4 0 "[ . 1 . 2]"
9 . 1 12 ALA C 1 13 TYR N 1 13 TYR CA 1 13 TYR C -156.38 -96.02 -154.70 -156.52 -146.24 0.14 16 0 "[ . 1 . 2]"
10 . 1 13 TYR C 1 14 GLN N 1 14 GLN CA 1 14 GLN C 175.42 -87.00 -110.20 -127.58 -93.09 . . 0 "[ . 1 . 2]"
11 . 1 14 GLN C 1 15 VAL N 1 15 VAL CA 1 15 VAL C -137.31 -111.51 -115.75 -137.36 -111.23 0.28 4 0 "[ . 1 . 2]"
12 . 1 15 VAL C 1 16 ARG N 1 16 ARG CA 1 16 ARG C -161.02 -98.54 -139.93 -161.02 -106.15 0.00 4 0 "[ . 1 . 2]"
13 . 1 16 ARG C 1 17 THR N 1 17 THR CA 1 17 THR C -102.48 -61.44 -90.44 -85.08 -85.37 0.12 4 0 "[ . 1 . 2]"
14 . 1 17 THR C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -80.28 -29.08 -49.85 -44.52 -48.90 . . 0 "[ . 1 . 2]"
15 . 1 18 GLU C 1 19 ASP N 1 19 ASP CA 1 19 ASP C -119.02 -59.02 -67.52 -59.28 -61.75 0.15 18 0 "[ . 1 . 2]"
16 . 1 19 ASP C 1 20 GLY N 1 20 GLY CA 1 20 GLY C 67.74 106.38 83.76 67.62 96.82 0.12 7 0 "[ . 1 . 2]"
17 . 1 20 GLY C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -121.18 -44.70 -121.29 -121.49 -121.16 0.31 20 0 "[ . 1 . 2]"
18 . 1 22 LEU C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -120.21 -76.09 -83.49 -76.03 -76.07 0.32 15 0 "[ . 1 . 2]"
19 . 1 23 VAL C 1 24 ASP N 1 24 ASP CA 1 24 ASP C 172.05 -138.99 -167.32 -153.15 -162.05 0.04 9 0 "[ . 1 . 2]"
20 . 1 24 ASP C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -148.93 -66.33 -148.86 -149.05 -149.06 0.33 10 0 "[ . 1 . 2]"
21 . 1 25 GLU C 1 26 SER N 1 26 SER CA 1 26 SER C -167.04 -62.52 -100.24 -133.70 -65.72 . . 0 "[ . 1 . 2]"
22 . 1 26 SER C 1 27 PRO N 1 27 PRO CA 1 27 PRO C -96.67 -34.43 -73.05 -72.91 -72.97 . . 0 "[ . 1 . 2]"
23 . 1 27 PRO C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -71.89 -50.73 -66.03 -63.57 -66.86 0.01 9 0 "[ . 1 . 2]"
24 . 1 28 VAL C 1 29 SER N 1 29 SER CA 1 29 SER C -122.62 -73.38 -81.48 -106.37 -73.28 0.10 4 0 "[ . 1 . 2]"
25 . 1 29 SER C 1 30 ALA N 1 30 ALA CA 1 30 ALA C -164.57 -2.57 -151.66 -146.78 -149.25 . . 0 "[ . 1 . 2]"
26 . 1 30 ALA C 1 31 PRO N 1 31 PRO CA 1 31 PRO C -86.10 -40.86 -72.99 -72.91 -72.95 . . 0 "[ . 1 . 2]"
27 . 1 31 PRO C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -134.96 -52.56 -85.66 -82.64 -84.52 . . 0 "[ . 1 . 2]"
28 . 1 32 LEU C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -133.10 -83.10 -88.82 -104.33 -82.99 0.11 12 0 "[ . 1 . 2]"
29 . 1 33 ASP C 1 34 TYR N 1 34 TYR CA 1 34 TYR C -161.66 -95.66 -150.52 -145.68 -155.77 0.05 6 0 "[ . 1 . 2]"
30 . 1 34 TYR C 1 35 LEU N 1 35 LEU CA 1 35 LEU C -129.10 -67.74 -74.12 -112.06 -67.26 0.48 16 0 "[ . 1 . 2]"
31 . 1 35 LEU C 1 36 HIS N 1 36 HIS CA 1 36 HIS C -105.48 -60.60 -75.26 -105.53 -60.33 0.27 6 0 "[ . 1 . 2]"
32 . 1 37 GLY C 1 38 HIS N 1 38 HIS CA 1 38 HIS C -129.96 -59.96 -128.00 -130.42 -115.19 0.46 12 0 "[ . 1 . 2]"
33 . 1 42 ILE C 1 43 SER N 1 43 SER CA 1 43 SER C -75.67 -49.23 -63.27 -75.71 -49.06 0.17 5 0 "[ . 1 . 2]"
34 . 1 43 SER C 1 44 GLY N 1 44 GLY CA 1 44 GLY C -105.22 -40.98 -58.65 -87.03 -43.68 . . 0 "[ . 1 . 2]"
35 . 1 44 GLY C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -86.74 -51.66 -79.95 -81.95 -82.55 0.22 7 0 "[ . 1 . 2]"
36 . 1 45 LEU C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -75.57 -42.17 -52.71 -56.45 -59.06 . . 0 "[ . 1 . 2]"
37 . 1 46 GLU C 1 47 THR N 1 47 THR CA 1 47 THR C -78.07 -47.55 -57.70 -53.71 -54.97 . . 0 "[ . 1 . 2]"
38 . 1 47 THR C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -84.42 -50.10 -71.51 -63.20 -63.99 0.17 11 0 "[ . 1 . 2]"
39 . 1 48 ALA C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -112.30 -37.94 -74.80 -74.60 -79.14 . . 0 "[ . 1 . 2]"
40 . 1 53 GLU C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -85.08 -40.68 -70.82 -75.19 -77.64 0.05 18 0 "[ . 1 . 2]"
41 . 1 54 VAL C 1 55 GLY N 1 55 GLY CA 1 55 GLY C 83.73 109.21 102.93 88.54 109.47 0.26 5 0 "[ . 1 . 2]"
42 . 1 56 ASP C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -153.40 -80.48 -124.84 -153.53 -94.25 0.13 8 0 "[ . 1 . 2]"
43 . 1 57 LYS C 1 58 PHE N 1 58 PHE CA 1 58 PHE C 166.48 -95.32 -146.14 -177.89 -114.57 . . 0 "[ . 1 . 2]"
44 . 1 58 PHE C 1 59 ASP N 1 59 ASP CA 1 59 ASP C -162.47 -84.19 -109.60 -90.50 -96.16 0.04 2 0 "[ . 1 . 2]"
45 . 1 59 ASP C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -153.96 -118.84 -136.08 -131.45 -133.58 . . 0 "[ . 1 . 2]"
46 . 1 60 VAL C 1 61 ALA N 1 61 ALA CA 1 61 ALA C -146.46 -76.02 -92.46 -85.94 -89.77 0.13 10 0 "[ . 1 . 2]"
47 . 1 61 ALA C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -179.54 -19.54 -155.52 -150.21 -151.91 . . 0 "[ . 1 . 2]"
48 . 1 63 GLY C 1 64 ALA N 1 64 ALA CA 1 64 ALA C -92.59 -36.67 -81.33 -92.91 -62.73 0.32 6 0 "[ . 1 . 2]"
49 . 1 64 ALA C 1 65 ASN N 1 65 ASN CA 1 65 ASN C -80.99 -51.23 -80.72 -81.17 -75.72 0.18 10 0 "[ . 1 . 2]"
50 . 1 70 GLN C 1 71 TYR N 1 71 TYR CA 1 71 TYR C -84.49 -43.33 -65.21 -84.73 -43.16 0.24 12 0 "[ . 1 . 2]"
51 . 1 71 TYR C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -137.11 -83.67 -110.77 -137.75 -82.75 0.92 13 0 "[ . 1 . 2]"
52 . 1 72 ASP C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -69.27 -52.11 -64.52 -69.85 -51.92 0.58 19 0 "[ . 1 . 2]"
53 . 1 73 GLU C 1 74 ASN N 1 74 ASN CA 1 74 ASN C -93.26 -48.94 -69.08 -92.27 -48.77 0.17 9 0 "[ . 1 . 2]"
54 . 1 75 LEU C 1 76 VAL N 1 76 VAL CA 1 76 VAL C -143.80 -53.80 -83.44 -146.06 -52.75 2.26 18 0 "[ . 1 . 2]"
55 . 1 76 VAL C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -150.08 -102.52 -129.62 -151.29 -102.42 1.21 13 0 "[ . 1 . 2]"
56 . 1 77 GLN C 1 78 ARG N 1 78 ARG CA 1 78 ARG C -131.95 -74.15 -111.83 -132.07 -77.02 0.12 18 0 "[ . 1 . 2]"
57 . 1 78 ARG C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -163.03 -78.55 -150.92 -163.14 -137.96 0.11 3 0 "[ . 1 . 2]"
58 . 1 79 VAL C 1 80 PRO N 1 80 PRO CA 1 80 PRO C -83.28 -44.24 -73.18 -73.18 -73.19 . . 0 "[ . 1 . 2]"
59 . 1 80 PRO C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -71.39 -38.07 -64.70 -63.52 -65.59 0.10 15 0 "[ . 1 . 2]"
60 . 1 81 LYS C 1 82 ASP N 1 82 ASP CA 1 82 ASP C -86.31 -46.31 -58.26 -83.78 -49.32 . . 0 "[ . 1 . 2]"
61 . 1 82 ASP C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -117.27 -37.63 -100.98 -117.55 -78.33 0.28 15 0 "[ . 1 . 2]"
62 . 1 90 LEU C 1 91 GLN N 1 91 GLN CA 1 91 GLN C -175.95 -50.39 -123.08 -134.20 -140.46 . . 0 "[ . 1 . 2]"
63 . 1 91 GLN C 1 92 VAL N 1 92 VAL CA 1 92 VAL C -91.43 -35.59 -66.23 -47.12 -60.06 . . 0 "[ . 1 . 2]"
64 . 1 92 VAL C 1 93 GLY N 1 93 GLY CA 1 93 GLY C 84.64 115.40 97.44 88.15 113.49 . . 0 "[ . 1 . 2]"
65 . 1 93 GLY C 1 94 MET N 1 94 MET CA 1 94 MET C -114.35 -46.03 -76.51 -106.46 -45.95 0.08 17 0 "[ . 1 . 2]"
66 . 1 94 MET C 1 95 ARG N 1 95 ARG CA 1 95 ARG C -167.05 -89.73 -103.10 -130.96 -89.71 0.02 5 0 "[ . 1 . 2]"
67 . 1 95 ARG C 1 96 PHE N 1 96 PHE CA 1 96 PHE C -173.98 -107.46 -127.97 -168.12 -107.42 0.04 3 0 "[ . 1 . 2]"
68 . 1 96 PHE C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -145.26 -69.38 -105.76 -98.57 -111.17 . . 0 "[ . 1 . 2]"
69 . 1 97 LEU C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -174.84 -57.04 -101.66 -84.09 -90.98 . . 0 "[ . 1 . 2]"
70 . 1 99 GLU C 1 100 THR N 1 100 THR CA 1 100 THR C -141.18 -56.90 -98.80 -71.03 -75.29 . . 0 "[ . 1 . 2]"
71 . 1 100 THR C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -83.98 -47.70 -63.63 -80.29 -48.70 . . 0 "[ . 1 . 2]"
72 . 1 101 ASP C 1 102 GLN N 1 102 GLN CA 1 102 GLN C -123.12 -61.68 -79.44 -91.10 -65.84 . . 0 "[ . 1 . 2]"
73 . 1 104 PRO C 1 105 VAL N 1 105 VAL CA 1 105 VAL C -141.77 -49.77 -130.94 -141.95 -102.49 0.18 8 0 "[ . 1 . 2]"
74 . 1 105 VAL C 1 106 PRO N 1 106 PRO CA 1 106 PRO C -107.39 -42.99 -73.07 -73.50 -72.64 . . 0 "[ . 1 . 2]"
75 . 1 106 PRO C 1 107 VAL N 1 107 VAL CA 1 107 VAL C -146.23 -116.35 -133.70 -146.08 -116.30 0.05 10 0 "[ . 1 . 2]"
76 . 1 107 VAL C 1 108 GLU N 1 108 GLU CA 1 108 GLU C -154.17 -100.49 -136.76 -149.10 -152.06 . . 0 "[ . 1 . 2]"
77 . 1 108 GLU C 1 109 ILE N 1 109 ILE CA 1 109 ILE C -136.26 -48.58 -76.36 -135.04 -48.48 0.10 1 0 "[ . 1 . 2]"
78 . 1 109 ILE C 1 110 THR N 1 110 THR CA 1 110 THR C -131.74 -86.62 -114.05 -129.70 -89.47 . . 0 "[ . 1 . 2]"
79 . 1 110 THR C 1 111 ALA N 1 111 ALA CA 1 111 ALA C 159.70 -87.50 -157.63 -164.96 -179.45 . . 0 "[ . 1 . 2]"
80 . 1 111 ALA C 1 112 VAL N 1 112 VAL CA 1 112 VAL C -154.92 -54.72 -125.77 -154.91 -64.48 . . 0 "[ . 1 . 2]"
81 . 1 112 VAL C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -145.66 -72.74 -106.90 -142.50 -73.68 . . 0 "[ . 1 . 2]"
82 . 1 113 GLU C 1 114 ASP N 1 114 ASP CA 1 114 ASP C -171.00 -47.00 -64.55 -78.76 -46.85 0.15 8 0 "[ . 1 . 2]"
83 . 1 115 ASP C 1 116 HIS N 1 116 HIS CA 1 116 HIS C -175.08 -83.04 -169.77 -175.26 -154.14 0.18 5 0 "[ . 1 . 2]"
84 . 1 117 VAL C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -138.99 -59.27 -126.90 -105.55 -111.40 0.24 13 0 "[ . 1 . 2]"
85 . 1 118 VAL C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -165.93 -98.09 -136.10 -163.40 -98.12 . . 0 "[ . 1 . 2]"
86 . 1 119 VAL C 1 120 ASP N 1 120 ASP CA 1 120 ASP C -167.64 -83.64 -127.96 -120.98 -132.26 0.16 3 0 "[ . 1 . 2]"
87 . 1 121 GLY C 1 122 ASN N 1 122 ASN CA 1 122 ASN C -118.58 -41.26 -99.10 -81.35 -108.66 0.21 17 0 "[ . 1 . 2]"
88 . 1 122 ASN C 1 123 HIS N 1 123 HIS CA 1 123 HIS C -102.31 -29.43 -79.43 -97.94 -100.93 0.13 13 0 "[ . 1 . 2]"
89 . 1 123 HIS C 1 124 MET N 1 124 MET CA 1 124 MET C -77.42 -47.18 -66.70 -77.58 -47.11 0.16 8 0 "[ . 1 . 2]"
90 . 1 126 ALA C 1 127 GLY N 1 127 GLY CA 1 127 GLY C 59.00 112.56 92.55 79.08 70.13 0.54 10 0 "[ . 1 . 2]"
91 . 1 127 GLY C 1 128 GLN N 1 128 GLN CA 1 128 GLN C -149.99 -48.35 -116.71 -148.47 -62.95 . . 0 "[ . 1 . 2]"
92 . 1 129 ASN C 1 130 LEU N 1 130 LEU CA 1 130 LEU C -151.92 -105.72 -121.16 -148.51 -105.51 0.21 9 0 "[ . 1 . 2]"
93 . 1 130 LEU C 1 131 LYS N 1 131 LYS CA 1 131 LYS C -143.45 -90.73 -105.87 -107.13 -111.39 0.33 9 0 "[ . 1 . 2]"
94 . 1 131 LYS C 1 132 PHE N 1 132 PHE CA 1 132 PHE C -148.41 -72.41 -142.94 -148.56 -105.21 0.15 2 0 "[ . 1 . 2]"
95 . 1 132 PHE C 1 133 ASN N 1 133 ASN CA 1 133 ASN C -152.80 -65.60 -90.58 -83.78 -87.32 . . 0 "[ . 1 . 2]"
96 . 1 133 ASN C 1 134 VAL N 1 134 VAL CA 1 134 VAL C -153.12 -98.36 -130.09 -153.18 -107.58 0.06 19 0 "[ . 1 . 2]"
97 . 1 134 VAL C 1 135 GLU N 1 135 GLU CA 1 135 GLU C -165.36 -78.08 -134.45 -136.23 -139.60 . . 0 "[ . 1 . 2]"
98 . 1 135 GLU C 1 136 VAL N 1 136 VAL CA 1 136 VAL C -97.00 -75.00 -78.74 -91.19 -74.80 0.20 17 0 "[ . 1 . 2]"
99 . 1 136 VAL C 1 137 VAL N 1 137 VAL CA 1 137 VAL C -111.52 -61.48 -111.67 -111.64 -111.67 0.34 6 0 "[ . 1 . 2]"
100 . 1 137 VAL C 1 138 ALA N 1 138 ALA CA 1 138 ALA C -174.28 -147.56 -157.82 -167.49 -148.60 . . 0 "[ . 1 . 2]"
101 . 1 138 ALA C 1 139 ILE N 1 139 ILE CA 1 139 ILE C -168.25 -109.13 -148.70 -157.36 -135.63 . . 0 "[ . 1 . 2]"
102 . 1 139 ILE C 1 140 ARG N 1 140 ARG CA 1 140 ARG C -157.00 -69.00 -126.03 -144.38 -114.60 . . 0 "[ . 1 . 2]"
103 . 1 140 ARG C 1 141 GLU N 1 141 GLU CA 1 141 GLU C -103.00 -53.00 -80.69 -85.05 -90.82 . . 0 "[ . 1 . 2]"
104 . 1 142 ALA C 1 143 THR N 1 143 THR CA 1 143 THR C -98.11 -74.03 -74.42 -78.45 -73.78 0.25 6 0 "[ . 1 . 2]"
105 . 1 143 THR C 1 144 GLU N 1 144 GLU CA 1 144 GLU C -68.91 -48.75 -59.24 -64.89 -52.46 . . 0 "[ . 1 . 2]"
106 . 1 144 GLU C 1 145 GLU N 1 145 GLU CA 1 145 GLU C -73.09 -55.45 -70.93 -70.22 -71.06 0.07 8 0 "[ . 1 . 2]"
107 . 1 145 GLU C 1 146 GLU N 1 146 GLU CA 1 146 GLU C -71.88 -54.60 -59.30 -60.52 -61.36 . . 0 "[ . 1 . 2]"
108 . 1 146 GLU C 1 147 LEU N 1 147 LEU CA 1 147 LEU C -81.91 -47.75 -77.64 -80.21 -81.85 0.18 11 0 "[ . 1 . 2]"
109 . 1 147 LEU C 1 148 ALA N 1 148 ALA CA 1 148 ALA C -78.39 -49.71 -67.56 -78.36 -50.41 . . 0 "[ . 1 . 2]"
110 . 1 148 ALA C 1 149 HIS N 1 149 HIS CA 1 149 HIS C -111.81 -72.65 -90.04 -86.25 -88.66 0.24 12 0 "[ . 1 . 2]"
111 . 1 150 GLY C 1 151 HIS N 1 151 HIS CA 1 151 HIS C -160.33 -62.37 -152.84 -160.55 -122.90 0.22 14 0 "[ . 1 . 2]"
112 . 1 151 HIS C 1 152 VAL N 1 152 VAL CA 1 152 VAL C -130.49 -58.61 -111.29 -130.60 -64.91 0.11 10 0 "[ . 1 . 2]"
113 . 1 155 ALA C 1 156 HIS N 1 156 HIS CA 1 156 HIS C -83.99 -53.19 -70.10 -83.98 -53.46 . . 0 "[ . 1 . 2]"
114 . 1 156 HIS C 1 157 ASP N 1 157 ASP CA 1 157 ASP C -91.88 -44.12 -69.90 -92.02 -44.18 0.14 12 0 "[ . 1 . 2]"
115 . 1 2 LYS N 1 2 LYS CA 1 2 LYS C 1 3 VAL N 139.42 -175.62 164.64 171.48 160.27 0.17 12 0 "[ . 1 . 2]"
116 . 1 3 VAL N 1 3 VAL CA 1 3 VAL C 1 4 ALA N 116.34 154.94 143.88 141.64 139.27 0.20 15 0 "[ . 1 . 2]"
117 . 1 4 ALA N 1 4 ALA CA 1 4 ALA C 1 5 LYS N 124.86 -172.82 171.15 139.53 -172.71 0.11 4 0 "[ . 1 . 2]"
118 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 VAL N 118.37 140.41 129.90 134.75 131.33 0.07 19 0 "[ . 1 . 2]"
119 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 SER N 103.87 151.39 116.34 108.20 130.29 . . 0 "[ . 1 . 2]"
120 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 LEU N 106.18 136.98 112.71 111.45 108.04 0.25 6 0 "[ . 1 . 2]"
121 . 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 ALA N 112.11 158.87 122.31 111.89 146.37 0.22 10 0 "[ . 1 . 2]"
122 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 TYR N 101.95 174.23 151.32 136.68 168.05 . . 0 "[ . 1 . 2]"
123 . 1 13 TYR N 1 13 TYR CA 1 13 TYR C 1 14 GLN N 133.30 167.46 145.30 147.19 144.97 . . 0 "[ . 1 . 2]"
124 . 1 14 GLN N 1 14 GLN CA 1 14 GLN C 1 15 VAL N 121.86 -177.10 138.01 134.50 131.53 . . 0 "[ . 1 . 2]"
125 . 1 15 VAL N 1 15 VAL CA 1 15 VAL C 1 16 ARG N 100.98 152.98 137.12 146.11 143.53 0.10 16 0 "[ . 1 . 2]"
126 . 1 16 ARG N 1 16 ARG CA 1 16 ARG C 1 17 THR N 135.84 -178.56 138.44 135.67 147.65 0.17 8 0 "[ . 1 . 2]"
127 . 1 17 THR N 1 17 THR CA 1 17 THR C 1 18 GLU N 152.13 -175.59 151.91 151.55 152.34 0.58 7 0 "[ . 1 . 2]"
128 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 ASP N -64.88 -2.56 -25.56 -27.36 -29.63 . . 0 "[ . 1 . 2]"
129 . 1 19 ASP N 1 19 ASP CA 1 19 ASP C 1 20 GLY N -25.10 24.90 -3.89 -13.59 13.60 . . 0 "[ . 1 . 2]"
130 . 1 20 GLY N 1 20 GLY CA 1 20 GLY C 1 21 VAL N -25.37 41.79 30.16 22.30 39.07 . . 0 "[ . 1 . 2]"
131 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 LEU N 110.99 151.59 148.35 151.10 150.75 0.08 11 0 "[ . 1 . 2]"
132 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 ASP N -63.46 1.34 -39.08 -58.69 -21.62 . . 0 "[ . 1 . 2]"
133 . 1 24 ASP N 1 24 ASP CA 1 24 ASP C 1 25 GLU N 150.35 172.11 152.53 153.91 151.44 0.33 6 0 "[ . 1 . 2]"
134 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 SER N 98.07 -178.09 140.50 134.59 132.20 . . 0 "[ . 1 . 2]"
135 . 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 PRO N 110.70 169.86 128.28 110.63 153.94 0.07 5 0 "[ . 1 . 2]"
136 . 1 27 PRO N 1 27 PRO CA 1 27 PRO C 1 28 VAL N 118.59 -179.25 151.07 161.69 158.62 . . 0 "[ . 1 . 2]"
137 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 SER N -51.26 -8.50 -24.01 -26.78 -28.48 . . 0 "[ . 1 . 2]"
138 . 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 ALA N -17.69 24.11 -5.20 -17.59 14.17 . . 0 "[ . 1 . 2]"
139 . 1 30 ALA N 1 30 ALA CA 1 30 ALA C 1 31 PRO N 45.54 -152.46 74.34 50.17 110.75 . . 0 "[ . 1 . 2]"
140 . 1 31 PRO N 1 31 PRO CA 1 31 PRO C 1 32 LEU N 124.59 164.43 153.87 146.19 143.07 0.19 10 0 "[ . 1 . 2]"
141 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 ASP N 90.59 155.95 103.86 90.51 148.44 0.08 16 0 "[ . 1 . 2]"
142 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 TYR N 104.54 160.54 121.46 104.38 151.85 0.16 18 0 "[ . 1 . 2]"
143 . 1 34 TYR N 1 34 TYR CA 1 34 TYR C 1 35 LEU N 114.33 167.93 165.59 148.18 168.49 0.56 6 0 "[ . 1 . 2]"
144 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 HIS N 80.76 168.08 128.88 136.13 125.56 0.15 15 0 "[ . 1 . 2]"
145 . 1 36 HIS N 1 36 HIS CA 1 36 HIS C 1 37 GLY N 104.80 149.00 140.03 147.30 145.42 0.19 11 0 "[ . 1 . 2]"
146 . 1 38 HIS N 1 38 HIS CA 1 38 HIS C 1 39 GLY N 87.35 -152.65 90.25 86.44 -150.13 2.52 11 0 "[ . 1 . 2]"
147 . 1 43 SER N 1 43 SER CA 1 43 SER C 1 44 GLY N -47.32 -23.44 -38.54 -24.15 -37.19 0.08 10 0 "[ . 1 . 2]"
148 . 1 44 GLY N 1 44 GLY CA 1 44 GLY C 1 45 LEU N -50.56 7.68 -40.42 -50.93 -29.69 0.37 7 0 "[ . 1 . 2]"
149 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 GLU N -63.88 -4.48 -35.69 -37.21 -39.32 0.00 3 0 "[ . 1 . 2]"
150 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 THR N -59.31 -30.07 -46.02 -39.96 -44.55 0.01 5 0 "[ . 1 . 2]"
151 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 ALA N -59.22 -19.30 -38.12 -58.97 -20.66 . . 0 "[ . 1 . 2]"
152 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 LEU N -53.48 -23.88 -26.47 -39.83 -23.73 0.15 11 0 "[ . 1 . 2]"
153 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 GLU N -64.59 -6.31 -38.11 -24.21 -26.59 . . 0 "[ . 1 . 2]"
154 . 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 GLY N 119.23 146.67 120.11 118.97 124.84 0.26 17 0 "[ . 1 . 2]"
155 . 1 55 GLY N 1 55 GLY CA 1 55 GLY C 1 56 ASP N -32.02 2.98 0.49 3.00 2.97 0.12 7 0 "[ . 1 . 2]"
156 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 PHE N 116.09 174.29 145.51 151.50 146.65 . . 0 "[ . 1 . 2]"
157 . 1 58 PHE N 1 58 PHE CA 1 58 PHE C 1 59 ASP N 118.65 -146.79 156.76 120.82 -156.59 . . 0 "[ . 1 . 2]"
158 . 1 59 ASP N 1 59 ASP CA 1 59 ASP C 1 60 VAL N 125.14 169.50 132.19 125.03 149.56 0.11 10 0 "[ . 1 . 2]"
159 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 ALA N 105.01 157.41 132.42 105.01 152.67 0.00 2 0 "[ . 1 . 2]"
160 . 1 61 ALA N 1 61 ALA CA 1 61 ALA C 1 62 VAL N 112.53 136.73 117.48 112.27 133.27 0.26 6 0 "[ . 1 . 2]"
161 . 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 GLY N 74.33 161.39 111.55 94.55 141.21 . . 0 "[ . 1 . 2]"
162 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 ASN N -59.92 -6.08 -17.98 -22.55 -24.42 0.19 17 0 "[ . 1 . 2]"
163 . 1 65 ASN N 1 65 ASN CA 1 65 ASN C 1 66 ASP N -53.72 -4.40 -25.04 -46.47 -8.66 . . 0 "[ . 1 . 2]"
164 . 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1 72 ASP N 121.33 143.33 131.74 120.31 144.89 1.56 20 0 "[ . 1 . 2]"
165 . 1 72 ASP N 1 72 ASP CA 1 72 ASP C 1 73 GLU N 69.97 149.73 101.45 69.36 148.26 0.61 19 0 "[ . 1 . 2]"
166 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 ASN N -42.32 -7.16 -16.19 -34.14 -6.42 0.74 18 0 "[ . 1 . 2]"
167 . 1 74 ASN N 1 74 ASN CA 1 74 ASN C 1 75 LEU N -46.62 3.98 -14.55 2.75 0.53 0.36 18 0 "[ . 1 . 2]"
168 . 1 76 VAL N 1 76 VAL CA 1 76 VAL C 1 77 GLN N 95.53 155.53 132.00 149.95 140.30 0.77 18 0 "[ . 1 . 2]"
169 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 ARG N 122.70 172.70 150.60 141.85 131.76 0.34 13 0 "[ . 1 . 2]"
170 . 1 78 ARG N 1 78 ARG CA 1 78 ARG C 1 79 VAL N 111.70 140.58 125.19 124.93 122.47 0.04 16 0 "[ . 1 . 2]"
171 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 PRO N 97.94 155.50 130.43 110.91 147.32 . . 0 "[ . 1 . 2]"
172 . 1 80 PRO N 1 80 PRO CA 1 80 PRO C 1 81 LYS N 131.57 167.77 164.17 156.66 167.84 0.07 12 0 "[ . 1 . 2]"
173 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 ASP N -65.78 -2.06 -12.92 -30.58 -1.81 0.25 15 0 "[ . 1 . 2]"
174 . 1 82 ASP N 1 82 ASP CA 1 82 ASP C 1 83 VAL N -59.44 10.56 -19.99 -14.73 -18.18 . . 0 "[ . 1 . 2]"
175 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 PHE N -75.32 23.60 -3.94 -75.72 23.54 0.40 16 0 "[ . 1 . 2]"
176 . 1 91 GLN N 1 91 GLN CA 1 91 GLN C 1 92 VAL N 125.61 -163.07 155.94 125.65 -167.72 . . 0 "[ . 1 . 2]"
177 . 1 92 VAL N 1 92 VAL CA 1 92 VAL C 1 93 GLY N 119.52 147.12 133.16 119.52 146.75 . . 0 "[ . 1 . 2]"
178 . 1 93 GLY N 1 93 GLY CA 1 93 GLY C 1 94 MET N -36.37 -4.69 -17.39 -21.59 -29.60 0.10 15 0 "[ . 1 . 2]"
179 . 1 94 MET N 1 94 MET CA 1 94 MET C 1 95 ARG N 121.39 155.31 145.25 121.47 155.41 0.10 17 0 "[ . 1 . 2]"
180 . 1 95 ARG N 1 95 ARG CA 1 95 ARG C 1 96 PHE N 126.17 -175.99 134.76 138.59 136.04 0.16 5 0 "[ . 1 . 2]"
181 . 1 96 PHE N 1 96 PHE CA 1 96 PHE C 1 97 LEU N 119.40 165.72 160.06 143.08 165.85 0.13 11 0 "[ . 1 . 2]"
182 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 ALA N 90.05 146.85 125.25 98.93 146.84 . . 0 "[ . 1 . 2]"
183 . 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 GLU N 98.02 160.02 129.26 151.27 139.04 . . 0 "[ . 1 . 2]"
184 . 1 100 THR N 1 100 THR CA 1 100 THR C 1 101 ASP N 146.95 -175.45 168.65 -179.07 177.52 . . 0 "[ . 1 . 2]"
185 . 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 GLN N -49.88 11.40 -24.85 -20.64 -23.42 . . 0 "[ . 1 . 2]"
186 . 1 102 GLN N 1 102 GLN CA 1 102 GLN C 1 103 GLY N -37.22 32.66 5.06 10.54 -3.63 . . 0 "[ . 1 . 2]"
187 . 1 105 VAL N 1 105 VAL CA 1 105 VAL C 1 106 PRO N 98.88 162.04 121.63 127.80 126.08 . . 0 "[ . 1 . 2]"
188 . 1 106 PRO N 1 106 PRO CA 1 106 PRO C 1 107 VAL N 90.75 179.91 139.36 113.65 162.95 . . 0 "[ . 1 . 2]"
189 . 1 107 VAL N 1 107 VAL CA 1 107 VAL C 1 108 GLU N 134.60 -174.68 167.92 136.87 -174.60 0.08 4 0 "[ . 1 . 2]"
190 . 1 108 GLU N 1 108 GLU CA 1 108 GLU C 1 109 ILE N 106.66 -178.54 125.67 114.56 109.34 0.20 16 0 "[ . 1 . 2]"
191 . 1 109 ILE N 1 109 ILE CA 1 109 ILE C 1 110 THR N 101.10 142.86 123.14 101.08 142.49 0.02 12 0 "[ . 1 . 2]"
192 . 1 110 THR N 1 110 THR CA 1 110 THR C 1 111 ALA N -52.63 11.65 -22.41 -10.71 -16.42 . . 0 "[ . 1 . 2]"
193 . 1 111 ALA N 1 111 ALA CA 1 111 ALA C 1 112 VAL N 112.21 -178.95 154.74 141.60 120.39 0.18 2 0 "[ . 1 . 2]"
194 . 1 112 VAL N 1 112 VAL CA 1 112 VAL C 1 113 GLU N 104.58 147.46 120.49 104.54 147.50 0.04 6 0 "[ . 1 . 2]"
195 . 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 ASP N 103.15 -171.45 170.84 162.32 155.27 . . 0 "[ . 1 . 2]"
196 . 1 114 ASP N 1 114 ASP CA 1 114 ASP C 1 115 ASP N 129.00 157.00 133.68 128.88 157.26 0.26 1 0 "[ . 1 . 2]"
197 . 1 116 HIS N 1 116 HIS CA 1 116 HIS C 1 117 VAL N 133.53 -173.03 147.06 133.46 171.16 0.07 6 0 "[ . 1 . 2]"
198 . 1 118 VAL N 1 118 VAL CA 1 118 VAL C 1 119 VAL N 118.68 157.40 136.87 142.70 134.41 0.02 18 0 "[ . 1 . 2]"
199 . 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 ASP N 133.78 -174.82 140.32 133.56 -174.97 0.22 17 0 "[ . 1 . 2]"
200 . 1 120 ASP N 1 120 ASP CA 1 120 ASP C 1 121 GLY N 99.29 171.69 142.55 99.18 171.81 0.12 17 0 "[ . 1 . 2]"
201 . 1 122 ASN N 1 122 ASN CA 1 122 ASN C 1 123 HIS N 79.79 177.47 143.87 137.93 133.25 0.82 9 0 "[ . 1 . 2]"
202 . 1 124 MET N 1 124 MET CA 1 124 MET C 1 125 LEU N -45.07 -11.35 -28.38 -23.98 -28.79 0.22 9 0 "[ . 1 . 2]"
203 . 1 127 GLY N 1 127 GLY CA 1 127 GLY C 1 128 GLN N -34.10 21.50 10.80 21.49 21.49 0.32 10 0 "[ . 1 . 2]"
204 . 1 128 GLN N 1 128 GLN CA 1 128 GLN C 1 129 ASN N 71.07 -170.21 81.02 70.07 101.81 1.00 6 0 "[ . 1 . 2]"
205 . 1 130 LEU N 1 130 LEU CA 1 130 LEU C 1 131 LYS N 135.17 170.93 147.05 134.96 171.04 0.21 6 0 "[ . 1 . 2]"
206 . 1 131 LYS N 1 131 LYS CA 1 131 LYS C 1 132 PHE N 112.84 138.48 129.96 133.83 132.13 0.11 9 0 "[ . 1 . 2]"
207 . 1 132 PHE N 1 132 PHE CA 1 132 PHE C 1 133 ASN N 97.14 167.58 135.63 97.10 154.05 0.04 7 0 "[ . 1 . 2]"
208 . 1 133 ASN N 1 133 ASN CA 1 133 ASN C 1 134 VAL N 106.48 163.84 145.18 120.60 163.64 . . 0 "[ . 1 . 2]"
209 . 1 134 VAL N 1 134 VAL CA 1 134 VAL C 1 135 GLU N 109.29 172.45 145.04 129.45 163.05 . . 0 "[ . 1 . 2]"
210 . 1 135 GLU N 1 135 GLU CA 1 135 GLU C 1 136 VAL N 105.23 163.71 123.48 118.77 112.26 0.05 6 0 "[ . 1 . 2]"
211 . 1 136 VAL N 1 136 VAL CA 1 136 VAL C 1 137 VAL N 89.00 143.80 139.74 138.59 137.62 0.10 3 0 "[ . 1 . 2]"
212 . 1 137 VAL N 1 137 VAL CA 1 137 VAL C 1 138 ALA N -55.53 -24.61 -39.36 -51.32 -27.02 . . 0 "[ . 1 . 2]"
213 . 1 138 ALA N 1 138 ALA CA 1 138 ALA C 1 139 ILE N 141.29 175.09 165.73 162.56 161.66 . . 0 "[ . 1 . 2]"
214 . 1 139 ILE N 1 139 ILE CA 1 139 ILE C 1 140 ARG N 102.00 178.00 103.45 101.75 116.63 0.25 5 0 "[ . 1 . 2]"
215 . 1 140 ARG N 1 140 ARG CA 1 140 ARG C 1 141 GLU N 132.00 180.00 158.93 163.95 161.26 0.09 18 0 "[ . 1 . 2]"
216 . 1 141 GLU N 1 141 GLU CA 1 141 GLU C 1 142 ALA N 112.00 162.00 144.04 152.08 147.24 0.19 10 0 "[ . 1 . 2]"
217 . 1 143 THR N 1 143 THR CA 1 143 THR C 1 144 GLU N 153.72 -175.68 -178.75 -175.57 -175.63 0.19 10 0 "[ . 1 . 2]"
218 . 1 144 GLU N 1 144 GLU CA 1 144 GLU C 1 145 GLU N -50.14 -25.06 -40.08 -44.30 -45.70 . . 0 "[ . 1 . 2]"
219 . 1 145 GLU N 1 145 GLU CA 1 145 GLU C 1 146 GLU N -49.13 -34.65 -38.78 -46.32 -34.47 0.18 4 0 "[ . 1 . 2]"
220 . 1 146 GLU N 1 146 GLU CA 1 146 GLU C 1 147 LEU N -55.91 -30.35 -45.85 -41.91 -42.60 . . 0 "[ . 1 . 2]"
221 . 1 147 LEU N 1 147 LEU CA 1 147 LEU C 1 148 ALA N -74.93 7.27 -17.49 -24.03 -7.59 . . 0 "[ . 1 . 2]"
222 . 1 148 ALA N 1 148 ALA CA 1 148 ALA C 1 149 HIS N -52.68 -10.04 -53.42 -53.49 -53.57 1.01 20 0 "[ . 1 . 2]"
223 . 1 149 HIS N 1 149 HIS CA 1 149 HIS C 1 150 GLY N -31.96 24.56 -5.13 -12.68 1.22 . . 0 "[ . 1 . 2]"
224 . 1 151 HIS N 1 151 HIS CA 1 151 HIS C 1 152 VAL N 120.71 -166.53 171.69 163.64 161.70 . . 0 "[ . 1 . 2]"
225 . 1 152 VAL N 1 152 VAL CA 1 152 VAL C 1 153 HIS N 111.33 142.73 126.20 111.08 142.88 0.25 19 0 "[ . 1 . 2]"
226 . 1 156 HIS N 1 156 HIS CA 1 156 HIS C 1 157 ASP N -73.35 10.21 -28.24 -29.59 -32.44 . . 0 "[ . 1 . 2]"
227 . 1 157 ASP N 1 157 ASP CA 1 157 ASP C 1 158 HIS N -60.66 -13.10 -37.44 -18.84 -24.40 0.10 2 0 "[ . 1 . 2]"
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