NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
493148 |
2kij   |
16277 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kij
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 125
_TA_constraint_stats_list.Viol_count 665
_TA_constraint_stats_list.Viol_total 142051.84
_TA_constraint_stats_list.Viol_max 67.33
_TA_constraint_stats_list.Viol_rms 6.10
_TA_constraint_stats_list.Viol_average_all_restraints 1.26
_TA_constraint_stats_list.Viol_average_violations_only 7.12
_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 7 GLU C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -70.00 -30.00 -65.66 -57.41 -58.44 9.40 9 2 "[ . +1 - . 2 . 3]"
2 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 LEU N -60.00 -10.00 -31.22 -49.06 -8.27 1.73 5 0 "[ . 1 . 2 . 3]"
3 . 1 8 ALA C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -70.00 -30.00 -60.04 -70.92 -42.01 0.92 25 0 "[ . 1 . 2 . 3]"
4 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 ALA N -60.00 -10.00 -35.47 -33.29 -33.79 . . 0 "[ . 1 . 2 . 3]"
5 . 1 9 LEU C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -70.00 -30.00 -74.95 -77.82 -79.32 9.32 1 17 "[+***. ***** .*- *2 * .****3]"
6 . 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 LYS N -60.00 -10.00 -33.18 -54.21 -7.99 2.01 5 0 "[ . 1 . 2 . 3]"
7 . 1 10 ALA C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -70.00 -30.00 -61.96 -56.79 -58.73 0.73 24 0 "[ . 1 . 2 . 3]"
8 . 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 LEU N -60.00 -10.00 -36.79 -43.89 -28.46 . . 0 "[ . 1 . 2 . 3]"
9 . 1 11 LYS C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -70.00 -30.00 -54.58 -64.16 -43.25 . . 0 "[ . 1 . 2 . 3]"
10 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 ILE N -60.00 -10.00 -40.73 -46.15 -48.10 . . 0 "[ . 1 . 2 . 3]"
11 . 1 12 LEU C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -70.00 -30.00 -72.62 -75.84 -67.01 5.84 30 2 "[ -. 1 . 2 . +]"
12 . 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 SER N -60.00 -10.00 -36.06 -45.46 -27.99 . . 0 "[ . 1 . 2 . 3]"
13 . 1 13 ILE C 1 14 SER N 1 14 SER CA 1 14 SER C -75.00 -25.00 -70.74 -77.43 -58.91 2.43 25 0 "[ . 1 . 2 . 3]"
14 . 1 14 SER N 1 14 SER CA 1 14 SER C 1 15 LEU N -60.00 -10.00 -25.94 -26.35 -27.62 . . 0 "[ . 1 . 2 . 3]"
15 . 1 14 SER C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -70.00 -30.00 -67.66 -73.40 -58.63 3.40 23 0 "[ . 1 . 2 . 3]"
16 . 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 GLN N -60.00 -10.00 -22.26 -43.39 -9.97 0.03 21 0 "[ . 1 . 2 . 3]"
17 . 1 18 THR C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -140.00 -80.00 -137.83 -125.38 -128.05 3.42 29 0 "[ . 1 . 2 . 3]"
18 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 ALA N 60.00 180.00 156.85 145.90 168.26 . . 0 "[ . 1 . 2 . 3]"
19 . 1 19 GLU C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -140.00 -80.00 -141.55 -137.55 -139.84 5.25 27 1 "[ . 1 . 2 . + 3]"
20 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 THR N 60.00 180.00 160.98 149.83 149.39 . . 0 "[ . 1 . 2 . 3]"
21 . 1 20 ALA C 1 21 THR N 1 21 THR CA 1 21 THR C -140.00 -80.00 -115.70 -131.45 -94.50 . . 0 "[ . 1 . 2 . 3]"
22 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 ILE N 60.00 180.00 106.95 95.95 124.49 . . 0 "[ . 1 . 2 . 3]"
23 . 1 21 THR C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -140.00 -80.00 -86.04 -105.78 -76.72 3.28 7 0 "[ . 1 . 2 . 3]"
24 . 1 22 ILE N 1 22 ILE CA 1 22 ILE C 1 23 VAL N 60.00 180.00 136.93 125.09 147.22 . . 0 "[ . 1 . 2 . 3]"
25 . 1 22 ILE C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -140.00 -80.00 -114.28 -121.31 -123.51 . . 0 "[ . 1 . 2 . 3]"
26 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 THR N 60.00 180.00 128.45 130.17 128.11 . . 0 "[ . 1 . 2 . 3]"
27 . 1 23 VAL C 1 24 THR N 1 24 THR CA 1 24 THR C -140.00 -80.00 -127.63 -142.26 -78.99 2.26 10 0 "[ . 1 . 2 . 3]"
28 . 1 24 THR N 1 24 THR CA 1 24 THR C 1 25 LEU N 60.00 180.00 141.64 138.50 136.42 . . 0 "[ . 1 . 2 . 3]"
29 . 1 32 LEU C 1 33 SER N 1 33 SER CA 1 33 SER C -140.00 -80.00 -126.72 -126.78 -130.63 2.63 19 0 "[ . 1 . 2 . 3]"
30 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 GLU N 60.00 180.00 130.57 84.69 154.40 . . 0 "[ . 1 . 2 . 3]"
31 . 1 33 SER C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -140.00 -80.00 -113.95 -141.79 -81.02 1.79 12 0 "[ . 1 . 2 . 3]"
32 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 GLU N 60.00 180.00 141.67 127.25 160.79 . . 0 "[ . 1 . 2 . 3]"
33 . 1 34 GLU C 1 35 GLU N 1 35 GLU CA 1 35 GLU C -140.00 -80.00 -123.40 -142.09 -104.07 2.09 23 0 "[ . 1 . 2 . 3]"
34 . 1 35 GLU N 1 35 GLU CA 1 35 GLU C 1 36 GLN N 60.00 180.00 133.66 130.72 129.31 . . 0 "[ . 1 . 2 . 3]"
35 . 1 35 GLU C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -140.00 -80.00 -100.09 -121.11 -79.83 0.17 7 0 "[ . 1 . 2 . 3]"
36 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 VAL N 60.00 180.00 125.17 130.00 126.82 . . 0 "[ . 1 . 2 . 3]"
37 . 1 36 GLN C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -140.00 -80.00 -134.37 -142.60 -114.78 2.60 27 0 "[ . 1 . 2 . 3]"
38 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 ASP N 60.00 180.00 164.01 163.47 162.75 0.23 27 0 "[ . 1 . 2 . 3]"
39 . 1 37 VAL C 1 38 ASP N 1 38 ASP CA 1 38 ASP C -140.00 -80.00 -78.54 -90.93 -72.70 7.30 8 5 "[*- . + 1 * 2 .* 3]"
40 . 1 38 ASP N 1 38 ASP CA 1 38 ASP C 1 39 VAL N 60.00 180.00 148.11 139.28 160.82 . . 0 "[ . 1 . 2 . 3]"
41 . 1 46 ASP C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -140.00 -80.00 -114.07 -116.39 -118.29 . . 0 "[ . 1 . 2 . 3]"
42 . 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 ILE N 60.00 180.00 126.73 118.92 135.33 . . 0 "[ . 1 . 2 . 3]"
43 . 1 47 ILE C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -140.00 -80.00 -117.52 -117.16 -117.99 . . 0 "[ . 1 . 2 . 3]"
44 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 LYS N 60.00 180.00 132.18 118.57 168.45 . . 0 "[ . 1 . 2 . 3]"
45 . 1 48 ILE C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -140.00 -80.00 -90.92 -132.39 -78.14 1.86 1 0 "[ . 1 . 2 . 3]"
46 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 VAL N 60.00 180.00 133.06 115.59 148.20 . . 0 "[ . 1 . 2 . 3]"
47 . 1 49 LYS C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -140.00 -80.00 -115.18 -124.22 -127.05 . . 0 "[ . 1 . 2 . 3]"
48 . 1 50 VAL N 1 50 VAL CA 1 50 VAL C 1 51 VAL N 60.00 180.00 136.37 153.24 146.93 . . 0 "[ . 1 . 2 . 3]"
49 . 1 58 VAL C 1 59 ASP N 1 59 ASP CA 1 59 ASP C -140.00 -80.00 -94.22 -111.55 -81.14 . . 0 "[ . 1 . 2 . 3]"
50 . 1 59 ASP N 1 59 ASP CA 1 59 ASP C 1 60 GLY N 60.00 180.00 145.08 127.88 166.64 . . 0 "[ . 1 . 2 . 3]"
51 . 1 59 ASP C 1 60 GLY N 1 60 GLY CA 1 60 GLY C -146.00 -70.00 176.23 163.74 -167.41 50.26 21 30 [********************+****-****]
52 . 1 60 GLY C 1 61 ARG N 1 61 ARG CA 1 61 ARG C -146.00 -70.00 -113.95 -135.72 -100.89 . . 0 "[ . 1 . 2 . 3]"
53 . 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 VAL N 60.00 180.00 139.70 129.10 146.39 . . 0 "[ . 1 . 2 . 3]"
54 . 1 61 ARG C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -140.00 -80.00 -92.95 -96.46 -98.99 0.98 7 0 "[ . 1 . 2 . 3]"
55 . 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 ILE N 60.00 180.00 129.45 132.14 131.58 . . 0 "[ . 1 . 2 . 3]"
56 . 1 62 VAL C 1 63 ILE N 1 63 ILE CA 1 63 ILE C -140.00 -80.00 -140.16 -140.39 -140.61 2.86 3 0 "[ . 1 . 2 . 3]"
57 . 1 63 ILE N 1 63 ILE CA 1 63 ILE C 1 64 GLU N 45.00 -170.00 32.20 28.48 37.28 16.52 22 30 [*************-*******+********]
58 . 1 63 ILE C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -165.00 -70.00 -167.73 -168.21 -168.51 6.22 30 3 "[* . 1 . 2 .- +]"
59 . 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 GLY N 50.00 180.00 137.02 122.75 150.18 . . 0 "[ . 1 . 2 . 3]"
60 . 1 66 HIS C 1 67 SER N 1 67 SER CA 1 67 SER C -140.00 -80.00 -139.40 -151.46 -75.88 11.46 6 15 "[ * *.+ -* .** ******* * 3]"
61 . 1 67 SER N 1 67 SER CA 1 67 SER C 1 68 MET N 60.00 180.00 167.46 156.75 156.53 0.96 15 0 "[ . 1 . 2 . 3]"
62 . 1 67 SER C 1 68 MET N 1 68 MET CA 1 68 MET C -140.00 -80.00 -110.18 -128.40 -90.61 . . 0 "[ . 1 . 2 . 3]"
63 . 1 68 MET N 1 68 MET CA 1 68 MET C 1 69 VAL N 60.00 180.00 132.59 132.28 130.75 . . 0 "[ . 1 . 2 . 3]"
64 . 1 68 MET C 1 69 VAL N 1 69 VAL CA 1 69 VAL C -140.00 -80.00 -121.04 -135.57 -87.64 . . 0 "[ . 1 . 2 . 3]"
65 . 1 69 VAL N 1 69 VAL CA 1 69 VAL C 1 70 ASP N 60.00 180.00 139.67 138.99 137.34 . . 0 "[ . 1 . 2 . 3]"
66 . 1 69 VAL C 1 70 ASP N 1 70 ASP CA 1 70 ASP C -140.00 -80.00 -99.18 -113.55 -86.03 . . 0 "[ . 1 . 2 . 3]"
67 . 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1 71 GLU N 60.00 180.00 106.86 75.79 132.66 . . 0 "[ . 1 . 2 . 3]"
68 . 1 80 PRO C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -140.00 -80.00 -117.76 -130.56 -94.21 . . 0 "[ . 1 . 2 . 3]"
69 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 ALA N 60.00 180.00 131.88 129.55 128.51 . . 0 "[ . 1 . 2 . 3]"
70 . 1 81 VAL C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -140.00 -80.00 -80.96 -89.37 -76.60 3.40 28 0 "[ . 1 . 2 . 3]"
71 . 1 82 ALA N 1 82 ALA CA 1 82 ALA C 1 83 LYS N 60.00 180.00 138.18 126.72 150.86 . . 0 "[ . 1 . 2 . 3]"
72 . 1 82 ALA C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -140.00 -80.00 -121.49 -132.32 -98.62 . . 0 "[ . 1 . 2 . 3]"
73 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 LYS N 60.00 180.00 150.57 137.09 169.54 . . 0 "[ . 1 . 2 . 3]"
74 . 1 87 SER C 1 88 THR N 1 88 THR CA 1 88 THR C -140.00 -80.00 -111.94 -107.15 -111.00 . . 0 "[ . 1 . 2 . 3]"
75 . 1 88 THR N 1 88 THR CA 1 88 THR C 1 89 VAL N 60.00 180.00 149.99 143.43 159.96 . . 0 "[ . 1 . 2 . 3]"
76 . 1 88 THR C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -140.00 -80.00 -137.81 -138.00 -138.28 1.89 24 0 "[ . 1 . 2 . 3]"
77 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 ILE N 60.00 180.00 156.96 146.16 168.93 . . 0 "[ . 1 . 2 . 3]"
78 . 1 93 SER C 1 94 ILE N 1 94 ILE CA 1 94 ILE C -140.00 -80.00 -109.93 -111.41 -112.56 . . 0 "[ . 1 . 2 . 3]"
79 . 1 94 ILE N 1 94 ILE CA 1 94 ILE C 1 95 ASN N 60.00 180.00 135.02 120.39 146.18 . . 0 "[ . 1 . 2 . 3]"
80 . 1 94 ILE C 1 95 ASN N 1 95 ASN CA 1 95 ASN C -140.00 -80.00 -94.24 -86.73 -90.07 3.84 23 0 "[ . 1 . 2 . 3]"
81 . 1 95 ASN N 1 95 ASN CA 1 95 ASN C 1 96 GLN N 60.00 180.00 140.13 127.53 155.13 . . 0 "[ . 1 . 2 . 3]"
82 . 1 99 SER C 1 100 LEU N 1 100 LEU CA 1 100 LEU C -140.00 -80.00 -121.84 -147.82 -87.33 7.82 23 2 "[ . 1 . 2 -+ . 3]"
83 . 1 100 LEU N 1 100 LEU CA 1 100 LEU C 1 101 LEU N 60.00 180.00 159.71 162.52 161.85 . . 0 "[ . 1 . 2 . 3]"
84 . 1 100 LEU C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -140.00 -80.00 -114.90 -114.83 -116.24 . . 0 "[ . 1 . 2 . 3]"
85 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 ILE N 60.00 180.00 125.08 122.21 121.28 . . 0 "[ . 1 . 2 . 3]"
86 . 1 101 LEU C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -140.00 -80.00 -115.74 -128.36 -99.98 . . 0 "[ . 1 . 2 . 3]"
87 . 1 102 ILE N 1 102 ILE CA 1 102 ILE C 1 103 CYS N 60.00 180.00 127.15 129.02 128.19 . . 0 "[ . 1 . 2 . 3]"
88 . 1 102 ILE C 1 103 CYS N 1 103 CYS CA 1 103 CYS C -140.00 -80.00 -84.80 -86.79 -87.18 0.97 5 0 "[ . 1 . 2 . 3]"
89 . 1 103 CYS N 1 103 CYS CA 1 103 CYS C 1 104 ALA N 60.00 180.00 117.14 103.34 128.65 . . 0 "[ . 1 . 2 . 3]"
90 . 1 103 CYS C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -140.00 -80.00 -80.67 -80.95 -81.93 4.72 24 0 "[ . 1 . 2 . 3]"
91 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 THR N 60.00 180.00 123.87 130.48 129.95 . . 0 "[ . 1 . 2 . 3]"
92 . 1 104 ALA C 1 105 THR N 1 105 THR CA 1 105 THR C -140.00 -80.00 -117.78 -115.91 -117.77 1.46 24 0 "[ . 1 . 2 . 3]"
93 . 1 105 THR N 1 105 THR CA 1 105 THR C 1 106 HIS N 55.00 -170.00 1.30 -12.33 16.20 67.33 2 30 [*+**********-*****************]
94 . 1 105 THR C 1 106 HIS N 1 106 HIS CA 1 106 HIS C -155.00 -70.00 -142.74 -151.30 -136.47 . . 0 "[ . 1 . 2 . 3]"
95 . 1 106 HIS N 1 106 HIS CA 1 106 HIS C 1 107 VAL N 60.00 180.00 145.10 135.29 155.15 . . 0 "[ . 1 . 2 . 3]"
96 . 1 107 VAL C 1 108 GLY N 1 108 GLY CA 1 108 GLY C -70.00 -30.00 -58.86 -61.36 -63.63 . . 0 "[ . 1 . 2 . 3]"
97 . 1 108 GLY C 1 109 ALA N 1 109 ALA CA 1 109 ALA C -70.00 -30.00 -66.62 -74.49 -76.52 6.52 1 1 "[+ . 1 . 2 . 3]"
98 . 1 109 ALA N 1 109 ALA CA 1 109 ALA C 1 110 ASP N -60.00 -10.00 -36.77 -45.10 -47.06 . . 0 "[ . 1 . 2 . 3]"
99 . 1 109 ALA C 1 110 ASP N 1 110 ASP CA 1 110 ASP C -70.00 -30.00 -76.28 -80.18 -72.11 10.18 29 22 "[ ***. ** ****** **2**-** **+*]"
100 . 1 110 ASP N 1 110 ASP CA 1 110 ASP C 1 111 THR N -60.00 -10.00 -12.32 -32.11 -4.37 5.63 25 2 "[ . -1 . 2 + 3]"
101 . 1 111 THR C 1 112 THR N 1 112 THR CA 1 112 THR C -70.00 -30.00 -60.27 -57.70 -60.04 0.67 6 0 "[ . 1 . 2 . 3]"
102 . 1 112 THR N 1 112 THR CA 1 112 THR C 1 113 LEU N -60.00 -10.00 -31.30 -44.28 -18.18 . . 0 "[ . 1 . 2 . 3]"
103 . 1 112 THR C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -70.00 -30.00 -57.73 -57.44 -58.03 . . 0 "[ . 1 . 2 . 3]"
104 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 SER N -60.00 -10.00 -48.36 -58.14 -41.18 . . 0 "[ . 1 . 2 . 3]"
105 . 1 113 LEU C 1 114 SER N 1 114 SER CA 1 114 SER C -70.00 -30.00 -70.88 -73.03 -73.18 4.37 30 0 "[ . 1 . 2 . 3]"
106 . 1 114 SER N 1 114 SER CA 1 114 SER C 1 115 GLN N -60.00 -10.00 -26.76 -25.99 -26.54 . . 0 "[ . 1 . 2 . 3]"
107 . 1 114 SER C 1 115 GLN N 1 115 GLN CA 1 115 GLN C -70.00 -30.00 -69.93 -76.92 -61.54 6.92 21 2 "[ . - 1 . 2+ . 3]"
108 . 1 115 GLN N 1 115 GLN CA 1 115 GLN C 1 116 ILE N -60.00 -10.00 -41.75 -48.65 -35.73 . . 0 "[ . 1 . 2 . 3]"
109 . 1 115 GLN C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -70.00 -30.00 -56.82 -59.22 -59.98 . . 0 "[ . 1 . 2 . 3]"
110 . 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 VAL N -60.00 -10.00 -51.20 -58.99 -44.68 . . 0 "[ . 1 . 2 . 3]"
111 . 1 116 ILE C 1 117 VAL N 1 117 VAL CA 1 117 VAL C -70.00 -30.00 -67.33 -71.19 -63.39 1.19 25 0 "[ . 1 . 2 . 3]"
112 . 1 117 VAL N 1 117 VAL CA 1 117 VAL C 1 118 LYS N -60.00 -10.00 -23.44 -32.35 -9.19 0.81 1 0 "[ . 1 . 2 . 3]"
113 . 1 117 VAL C 1 118 LYS N 1 118 LYS CA 1 118 LYS C -70.00 -30.00 -71.46 -75.27 -56.21 5.27 2 3 "[-+ . *1 . 2 . 3]"
114 . 1 118 LYS N 1 118 LYS CA 1 118 LYS C 1 119 LEU N -60.00 -10.00 -40.43 -34.72 -36.76 . . 0 "[ . 1 . 2 . 3]"
115 . 1 118 LYS C 1 119 LEU N 1 119 LEU CA 1 119 LEU C -70.00 -30.00 -70.71 -71.19 -71.72 8.38 7 8 "[* -.*+ 1 * . ** * . 3]"
116 . 1 119 LEU N 1 119 LEU CA 1 119 LEU C 1 120 VAL N -60.00 -10.00 -44.26 -58.92 -27.88 . . 0 "[ . 1 . 2 . 3]"
117 . 1 119 LEU C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -70.00 -30.00 -67.74 -59.61 -61.18 5.36 24 1 "[ . 1 . 2 +. 3]"
118 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 GLU N -60.00 -10.00 -35.42 -59.41 -17.87 . . 0 "[ . 1 . 2 . 3]"
119 . 1 120 VAL C 1 121 GLU N 1 121 GLU CA 1 121 GLU C -70.00 -30.00 -64.89 -74.63 -53.40 4.63 24 0 "[ . 1 . 2 . 3]"
120 . 1 121 GLU N 1 121 GLU CA 1 121 GLU C 1 122 GLU N -60.00 -10.00 -31.60 -46.58 -59.46 0.03 17 0 "[ . 1 . 2 . 3]"
121 . 1 121 GLU C 1 122 GLU N 1 122 GLU CA 1 122 GLU C -70.00 -30.00 -73.14 -80.73 -65.90 10.73 20 9 "[ -.** ** .* +* . *]"
122 . 1 122 GLU N 1 122 GLU CA 1 122 GLU C 1 123 ALA N -60.00 -10.00 -21.78 -37.28 -5.34 4.66 1 0 "[ . 1 . 2 . 3]"
123 . 1 122 GLU C 1 123 ALA N 1 123 ALA CA 1 123 ALA C -70.00 -30.00 -72.67 -81.08 -66.12 11.08 12 7 "[ *.** 1 + *. - 2 * . 3]"
124 . 1 123 ALA N 1 123 ALA CA 1 123 ALA C 1 124 GLN N -60.00 -10.00 -43.64 -65.10 -7.79 5.10 12 1 "[ . 1 + . 2 . 3]"
125 . 1 123 ALA C 1 124 GLN N 1 124 GLN CA 1 124 GLN C -70.00 -30.00 -65.46 -71.72 -73.20 5.99 23 2 "[ . -1 . 2 + . 3]"
stop_
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