NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483563 |
1yho   |
5981 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1yho
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 184
_TA_constraint_stats_list.Viol_count 1669
_TA_constraint_stats_list.Viol_total 2769453.25
_TA_constraint_stats_list.Viol_max 152.48
_TA_constraint_stats_list.Viol_rms 39.19
_TA_constraint_stats_list.Viol_average_all_restraints 24.08
_TA_constraint_stats_list.Viol_average_violations_only 66.37
_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 SER C 1 4 LEU N 1 4 LEU CA 1 4 LEU C -176.00 -24.00 -109.67 -112.41 -113.72 . . 0 "[ . 1 . 2 .]"
2 . 1 3 SER C 1 4 LEU N 1 4 LEU CA 1 4 LEU C 72.00 -176.00 -109.67 -112.41 -113.72 78.52 24 25 [****-******************+*]
3 . 1 4 LEU C 1 5 ASN N 1 5 ASN CA 1 5 ASN C -175.00 -49.00 -120.68 -129.99 -104.03 . . 0 "[ . 1 . 2 .]"
4 . 1 4 LEU C 1 5 ASN N 1 5 ASN CA 1 5 ASN C 91.00 -175.00 -120.68 -129.99 -104.03 70.97 5 25 [****+*************-******]
5 . 1 5 ASN C 1 6 CYS N 1 6 CYS CA 1 6 CYS C -174.00 -66.00 -114.82 -138.82 -99.97 . . 0 "[ . 1 . 2 .]"
6 . 1 5 ASN C 1 6 CYS N 1 6 CYS CA 1 6 CYS C 80.00 -174.00 -114.82 -138.82 -99.97 74.03 4 25 [**-+*********************]
7 . 1 6 CYS C 1 7 ILE N 1 7 ILE CA 1 7 ILE C -173.00 -79.00 -146.34 -158.59 -119.81 . . 0 "[ . 1 . 2 .]"
8 . 1 6 CYS C 1 7 ILE N 1 7 ILE CA 1 7 ILE C 77.00 -173.00 -146.34 -158.59 -119.81 53.19 9 25 [********+*********-******]
9 . 1 7 ILE C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -172.00 -94.00 -146.75 -137.86 -140.67 . . 0 "[ . 1 . 2 .]"
10 . 1 7 ILE C 1 8 VAL N 1 8 VAL CA 1 8 VAL C 80.00 -172.00 -146.75 -137.86 -140.67 36.09 2 25 [*+****-******************]
11 . 1 8 VAL C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -171.00 -61.00 -101.78 -105.22 -105.64 . . 0 "[ . 1 . 2 .]"
12 . 1 8 VAL C 1 9 ALA N 1 9 ALA CA 1 9 ALA C 91.00 -171.00 -101.78 -105.22 -105.64 74.77 15 25 [**************+*********-]
13 . 1 27 LEU C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -152.00 20.00 -66.71 -60.65 -61.20 . . 0 "[ . 1 . 2 .]"
14 . 1 27 LEU C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -80.00 28.00 -66.71 -60.65 -61.20 . . 0 "[ . 1 . 2 .]"
15 . 1 28 ARG C 1 29 ASN N 1 29 ASN CA 1 29 ASN C -151.00 21.00 -67.87 -73.93 -74.52 . . 0 "[ . 1 . 2 .]"
16 . 1 28 ARG C 1 29 ASN N 1 29 ASN CA 1 29 ASN C -103.00 29.00 -67.87 -73.93 -74.52 . . 0 "[ . 1 . 2 .]"
17 . 1 29 ASN C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -150.00 12.00 -69.62 -76.21 -63.18 . . 0 "[ . 1 . 2 .]"
18 . 1 29 ASN C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -104.00 30.00 -69.62 -76.21 -63.18 . . 0 "[ . 1 . 2 .]"
19 . 1 30 GLU C 1 31 PHE N 1 31 PHE CA 1 31 PHE C -149.00 -1.00 -67.18 -66.19 -67.05 . . 0 "[ . 1 . 2 .]"
20 . 1 30 GLU C 1 31 PHE N 1 31 PHE CA 1 31 PHE C -75.00 31.00 -67.18 -66.19 -67.05 . . 0 "[ . 1 . 2 .]"
21 . 1 31 PHE C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -148.00 18.00 -66.56 -72.69 -60.42 . . 0 "[ . 1 . 2 .]"
22 . 1 31 PHE C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -112.00 32.00 -66.56 -72.69 -60.42 . . 0 "[ . 1 . 2 .]"
23 . 1 32 ARG C 1 33 TYR N 1 33 TYR CA 1 33 TYR C -147.00 11.00 -65.42 -60.79 -61.09 . . 0 "[ . 1 . 2 .]"
24 . 1 32 ARG C 1 33 TYR N 1 33 TYR CA 1 33 TYR C -109.00 33.00 -65.42 -60.79 -61.09 . . 0 "[ . 1 . 2 .]"
25 . 1 33 TYR C 1 34 PHE N 1 34 PHE CA 1 34 PHE C -146.00 16.00 -66.29 -72.88 -59.62 . . 0 "[ . 1 . 2 .]"
26 . 1 33 TYR C 1 34 PHE N 1 34 PHE CA 1 34 PHE C -118.00 34.00 -66.29 -72.88 -59.62 . . 0 "[ . 1 . 2 .]"
27 . 1 34 PHE C 1 35 GLN N 1 35 GLN CA 1 35 GLN C -145.00 13.00 -67.02 -63.71 -64.74 . . 0 "[ . 1 . 2 .]"
28 . 1 34 PHE C 1 35 GLN N 1 35 GLN CA 1 35 GLN C -121.00 35.00 -67.02 -63.71 -64.74 . . 0 "[ . 1 . 2 .]"
29 . 1 35 GLN C 1 36 ARG N 1 36 ARG CA 1 36 ARG C -144.00 12.00 -62.34 -69.62 -59.84 . . 0 "[ . 1 . 2 .]"
30 . 1 35 GLN C 1 36 ARG N 1 36 ARG CA 1 36 ARG C -116.00 36.00 -62.34 -69.62 -59.84 . . 0 "[ . 1 . 2 .]"
31 . 1 36 ARG C 1 37 MET N 1 37 MET CA 1 37 MET C -143.00 13.00 -63.83 -71.28 -58.86 . . 0 "[ . 1 . 2 .]"
32 . 1 36 ARG C 1 37 MET N 1 37 MET CA 1 37 MET C -111.00 37.00 -63.83 -71.28 -58.86 . . 0 "[ . 1 . 2 .]"
33 . 1 37 MET C 1 38 THR N 1 38 THR CA 1 38 THR C -142.00 14.00 -66.76 -61.71 -63.44 . . 0 "[ . 1 . 2 .]"
34 . 1 37 MET C 1 38 THR N 1 38 THR CA 1 38 THR C -102.00 38.00 -66.76 -61.71 -63.44 . . 0 "[ . 1 . 2 .]"
35 . 1 38 THR C 1 39 THR N 1 39 THR CA 1 39 THR C -141.00 -7.00 -65.64 -60.27 -60.57 . . 0 "[ . 1 . 2 .]"
36 . 1 38 THR C 1 39 THR N 1 39 THR CA 1 39 THR C -111.00 39.00 -65.64 -60.27 -60.57 . . 0 "[ . 1 . 2 .]"
37 . 1 45 GLY C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -134.00 -78.00 -119.22 -115.22 -119.77 7.42 20 1 "[ . 1 . + .]"
38 . 1 45 GLY C 1 46 LYS N 1 46 LYS CA 1 46 LYS C 68.00 -134.00 -119.22 -115.22 -119.77 39.70 22 18 "[ ********-** ** * *2 + **]"
39 . 1 46 LYS C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -155.00 -115.00 -116.22 -115.41 -115.45 0.55 8 0 "[ . 1 . 2 .]"
40 . 1 46 LYS C 1 47 GLN N 1 47 GLN CA 1 47 GLN C 47.00 -133.00 -116.22 -115.41 -115.45 18.55 8 25 [*******+****************-]
41 . 1 47 GLN C 1 48 ASN N 1 48 ASN CA 1 48 ASN C -132.00 -90.00 -101.36 -98.22 -98.28 . . 0 "[ . 1 . 2 .]"
42 . 1 47 GLN C 1 48 ASN N 1 48 ASN CA 1 48 ASN C 48.00 -162.00 -101.36 -98.22 -98.28 64.21 20 25 [*******************+*-***]
43 . 1 48 ASN C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -142.00 -102.00 -108.21 -110.84 -105.56 . . 0 "[ . 1 . 2 .]"
44 . 1 48 ASN C 1 49 LEU N 1 49 LEU CA 1 49 LEU C 49.00 -139.00 -108.21 -110.84 -105.56 33.44 9 25 [********+***************-]
45 . 1 49 LEU C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -138.00 -98.00 -111.44 -127.94 -106.10 . . 0 "[ . 1 . 2 .]"
46 . 1 49 LEU C 1 50 VAL N 1 50 VAL CA 1 50 VAL C 50.00 -148.00 -111.44 -127.94 -106.10 41.90 5 25 [****+************-*******]
47 . 1 50 VAL C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -142.00 -102.00 -113.64 -118.27 -121.98 . . 0 "[ . 1 . 2 .]"
48 . 1 50 VAL C 1 51 ILE N 1 51 ILE CA 1 51 ILE C 51.00 -155.00 -113.64 -118.27 -121.98 45.89 7 25 [******+***-**************]
49 . 1 51 ILE C 1 52 MET N 1 52 MET CA 1 52 MET C -142.00 -102.00 -132.24 -139.48 -121.03 . . 0 "[ . 1 . 2 .]"
50 . 1 51 ILE C 1 52 MET N 1 52 MET CA 1 52 MET C 70.00 -128.00 -132.24 -139.48 -121.03 6.97 7 1 "[ . + 1 . 2 .]"
51 . 1 53 GLY C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -126.00 8.00 -61.10 -65.69 -57.84 . . 0 "[ . 1 . 2 .]"
52 . 1 53 GLY C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -126.00 50.00 -61.10 -65.69 -57.84 . . 0 "[ . 1 . 2 .]"
53 . 1 54 LYS C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -125.00 -11.00 -65.68 -62.01 -62.60 . . 0 "[ . 1 . 2 .]"
54 . 1 54 LYS C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -125.00 47.00 -65.68 -62.01 -62.60 . . 0 "[ . 1 . 2 .]"
55 . 1 55 LYS C 1 56 THR N 1 56 THR CA 1 56 THR C -124.00 -16.00 -60.82 -59.70 -59.82 . . 0 "[ . 1 . 2 .]"
56 . 1 55 LYS C 1 56 THR N 1 56 THR CA 1 56 THR C -124.00 44.00 -60.82 -59.70 -59.82 . . 0 "[ . 1 . 2 .]"
57 . 1 56 THR C 1 57 TRP N 1 57 TRP CA 1 57 TRP C -123.00 1.00 -59.61 -57.75 -58.26 . . 0 "[ . 1 . 2 .]"
58 . 1 56 THR C 1 57 TRP N 1 57 TRP CA 1 57 TRP C -123.00 27.00 -59.61 -57.75 -58.26 . . 0 "[ . 1 . 2 .]"
59 . 1 61 PRO C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -118.00 -12.00 -70.51 -76.74 -56.01 . . 0 "[ . 1 . 2 .]"
60 . 1 61 PRO C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -118.00 62.00 -70.51 -76.74 -56.01 . . 0 "[ . 1 . 2 .]"
61 . 1 62 GLU C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -117.00 -51.00 -56.34 -59.69 -53.78 . . 0 "[ . 1 . 2 .]"
62 . 1 62 GLU C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -89.00 63.00 -56.34 -59.69 -53.78 . . 0 "[ . 1 . 2 .]"
63 . 1 70 ARG C 1 71 ILE N 1 71 ILE CA 1 71 ILE C -111.00 -71.00 -78.26 -80.87 -81.81 1.32 11 0 "[ . 1 . 2 .]"
64 . 1 70 ARG C 1 71 ILE N 1 71 ILE CA 1 71 ILE C 71.00 163.00 -78.26 -80.87 -81.81 127.32 11 25 [**********+-*************]
65 . 1 71 ILE C 1 72 ASN N 1 72 ASN CA 1 72 ASN C -135.00 -95.00 -93.92 -93.17 -93.58 3.52 7 0 "[ . 1 . 2 .]"
66 . 1 71 ILE C 1 72 ASN N 1 72 ASN CA 1 72 ASN C 72.00 174.00 -93.92 -93.17 -93.58 94.52 7 25 [*****-+******************]
67 . 1 72 ASN C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -143.00 -103.00 -122.63 -119.00 -120.18 . . 0 "[ . 1 . 2 .]"
68 . 1 72 ASN C 1 73 LEU N 1 73 LEU CA 1 73 LEU C 73.00 -165.00 -122.63 -119.00 -120.18 50.05 20 25 [*************-*****+*****]
69 . 1 73 LEU C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -135.00 -95.00 -108.39 -106.54 -106.61 . . 0 "[ . 1 . 2 .]"
70 . 1 73 LEU C 1 74 VAL N 1 74 VAL CA 1 74 VAL C 74.00 -168.00 -108.39 -106.54 -106.61 61.99 3 25 [**+****-*****************]
71 . 1 74 VAL C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -124.00 -84.00 -106.73 -102.25 -103.14 . . 0 "[ . 1 . 2 .]"
72 . 1 74 VAL C 1 75 LEU N 1 75 LEU CA 1 75 LEU C 75.00 -155.00 -106.73 -102.25 -103.14 55.33 2 25 [*+***********-***********]
73 . 1 80 LYS C 1 81 GLU N 1 81 GLU CA 1 81 GLU C -129.00 -89.00 -112.23 -107.01 -110.87 . . 0 "[ . 1 . 2 .]"
74 . 1 80 LYS C 1 81 GLU N 1 81 GLU CA 1 81 GLU C 81.00 165.00 -112.23 -107.01 -110.87 99.80 15 25 [***-**********+**********]
75 . 1 86 ALA C 1 87 HIS N 1 87 HIS CA 1 87 HIS C -101.55 -61.55 -83.44 -82.55 -84.85 . . 0 "[ . 1 . 2 .]"
76 . 1 86 ALA C 1 87 HIS N 1 87 HIS CA 1 87 HIS C -92.92 39.08 -83.44 -82.55 -84.85 0.66 14 0 "[ . 1 . 2 .]"
77 . 1 87 HIS C 1 88 PHE N 1 88 PHE CA 1 88 PHE C 175.14 -92.00 -154.70 -158.48 -149.51 . . 0 "[ . 1 . 2 .]"
78 . 1 87 HIS C 1 88 PHE N 1 88 PHE CA 1 88 PHE C 88.94 -161.06 -154.70 -158.48 -149.51 11.55 16 15 "[*** -* * 1 ****+ ** **.]"
79 . 1 88 PHE C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -151.94 -91.00 -132.47 -142.15 -123.94 . . 0 "[ . 1 . 2 .]"
80 . 1 88 PHE C 1 89 LEU N 1 89 LEU CA 1 89 LEU C 89.31 169.31 -132.47 -142.15 -123.94 66.75 6 25 [*****+******-************]
81 . 1 89 LEU C 1 90 SER N 1 90 SER CA 1 90 SER C -169.54 -90.00 -125.83 -131.67 -132.98 . . 0 "[ . 1 . 2 .]"
82 . 1 89 LEU C 1 90 SER N 1 90 SER CA 1 90 SER C 90.32 -157.68 -125.83 -131.67 -132.98 44.31 19 25 [-*****************+******]
83 . 1 93 LEU C 1 94 ASP N 1 94 ASP CA 1 94 ASP C -86.00 -44.00 -61.71 -66.20 -59.78 . . 0 "[ . 1 . 2 .]"
84 . 1 93 LEU C 1 94 ASP N 1 94 ASP CA 1 94 ASP C -86.00 8.00 -61.71 -66.20 -59.78 . . 0 "[ . 1 . 2 .]"
85 . 1 94 ASP C 1 95 ASP N 1 95 ASP CA 1 95 ASP C -86.00 -46.00 -67.05 -67.68 -67.86 . . 0 "[ . 1 . 2 .]"
86 . 1 94 ASP C 1 95 ASP N 1 95 ASP CA 1 95 ASP C -85.00 7.00 -67.05 -67.68 -67.86 . . 0 "[ . 1 . 2 .]"
87 . 1 95 ASP C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -86.00 -46.00 -63.29 -61.50 -63.09 . . 0 "[ . 1 . 2 .]"
88 . 1 95 ASP C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -84.00 12.00 -63.29 -61.50 -63.09 . . 0 "[ . 1 . 2 .]"
89 . 1 96 ALA C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -87.00 -47.00 -69.16 -71.48 -62.90 . . 0 "[ . 1 . 2 .]"
90 . 1 96 ALA C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -83.00 7.00 -69.16 -71.48 -62.90 . . 0 "[ . 1 . 2 .]"
91 . 1 97 LEU C 1 98 LYS N 1 98 LYS CA 1 98 LYS C -88.00 -48.00 -65.50 -64.65 -64.73 . . 0 "[ . 1 . 2 .]"
92 . 1 97 LEU C 1 98 LYS N 1 98 LYS CA 1 98 LYS C -82.00 4.00 -65.50 -64.65 -64.73 . . 0 "[ . 1 . 2 .]"
93 . 1 98 LYS C 1 99 LEU N 1 99 LEU CA 1 99 LEU C -88.03 -48.03 -65.91 -71.97 -61.25 . . 0 "[ . 1 . 2 .]"
94 . 1 98 LYS C 1 99 LEU N 1 99 LEU CA 1 99 LEU C -80.93 17.07 -65.91 -71.97 -61.25 . . 0 "[ . 1 . 2 .]"
95 . 1 102 GLN C 1 103 PRO N 1 103 PRO CA 1 103 PRO C -80.00 -40.00 -61.49 -70.09 -52.91 . . 0 "[ . 1 . 2 .]"
96 . 1 102 GLN C 1 103 PRO N 1 103 PRO CA 1 103 PRO C -77.00 29.00 -61.49 -70.09 -52.91 . . 0 "[ . 1 . 2 .]"
97 . 1 103 PRO C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -94.00 -54.00 -61.29 -74.22 -57.86 . . 0 "[ . 1 . 2 .]"
98 . 1 103 PRO C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -76.00 26.00 -61.29 -74.22 -57.86 . . 0 "[ . 1 . 2 .]"
99 . 1 105 LEU C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -85.00 -45.00 -56.62 -65.82 -54.01 . . 0 "[ . 1 . 2 .]"
100 . 1 105 LEU C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -74.00 18.00 -56.62 -65.82 -54.01 . . 0 "[ . 1 . 2 .]"
101 . 1 106 ALA C 1 107 ASN N 1 107 ASN CA 1 107 ASN C -109.73 -69.73 -73.50 -71.95 -72.07 . . 0 "[ . 1 . 2 .]"
102 . 1 106 ALA C 1 107 ASN N 1 107 ASN CA 1 107 ASN C -72.47 53.53 -73.50 -71.95 -72.07 18.25 18 2 "[ . 1 . +-2 .]"
103 . 1 108 LYS C 1 109 VAL N 1 109 VAL CA 1 109 VAL C -175.00 -71.00 -110.30 -131.72 -106.35 . . 0 "[ . 1 . 2 .]"
104 . 1 108 LYS C 1 109 VAL N 1 109 VAL CA 1 109 VAL C 109.00 157.00 -110.30 -131.72 -106.35 96.65 12 25 [***********+*****-*******]
105 . 1 109 VAL C 1 110 ASP N 1 110 ASP CA 1 110 ASP C -130.00 -70.00 -123.41 -120.85 -123.74 8.72 9 1 "[ . +1 . 2 .]"
106 . 1 109 VAL C 1 110 ASP N 1 110 ASP CA 1 110 ASP C 110.00 172.00 -123.41 -120.85 -123.74 83.64 19 25 [********-*********+******]
107 . 1 110 ASP C 1 111 MET N 1 111 MET CA 1 111 MET C 171.00 -69.00 -117.78 -119.99 -124.13 . . 0 "[ . 1 . 2 .]"
108 . 1 110 ASP C 1 111 MET N 1 111 MET CA 1 111 MET C 111.00 175.00 -117.78 -119.99 -124.13 85.75 8 25 [*******+***-*************]
109 . 1 111 MET C 1 112 VAL N 1 112 VAL CA 1 112 VAL C -152.00 -68.00 -115.20 -122.02 -97.81 . . 0 "[ . 1 . 2 .]"
110 . 1 111 MET C 1 112 VAL N 1 112 VAL CA 1 112 VAL C 112.00 154.00 -115.20 -122.02 -97.81 108.19 11 25 [**********+******-*******]
111 . 1 112 VAL C 1 113 TRP N 1 113 TRP CA 1 113 TRP C -159.00 -67.00 -124.90 -124.83 -129.02 . . 0 "[ . 1 . 2 .]"
112 . 1 112 VAL C 1 113 TRP N 1 113 TRP CA 1 113 TRP C 109.00 149.00 -124.90 -124.83 -129.02 104.34 18 25 [*******-*********+*******]
113 . 1 113 TRP C 1 114 ILE N 1 114 ILE CA 1 114 ILE C -112.00 -66.00 -91.14 -104.37 -82.91 . . 0 "[ . 1 . 2 .]"
114 . 1 113 TRP C 1 114 ILE N 1 114 ILE CA 1 114 ILE C 114.00 154.00 -91.14 -104.37 -82.91 123.09 20 25 [*****-*************+*****]
115 . 1 117 GLY C 1 118 SER N 1 118 SER CA 1 118 SER C -87.00 -47.00 -64.32 -68.04 -63.23 . . 0 "[ . 1 . 2 .]"
116 . 1 117 GLY C 1 118 SER N 1 118 SER CA 1 118 SER C -62.00 -18.00 -64.32 -68.04 -63.23 6.04 15 1 "[ . 1 + 2 .]"
117 . 1 118 SER C 1 119 SER N 1 119 SER CA 1 119 SER C -85.53 -45.53 -58.25 -59.53 -57.35 . . 0 "[ . 1 . 2 .]"
118 . 1 118 SER C 1 119 SER N 1 119 SER CA 1 119 SER C -60.34 -14.34 -58.25 -59.53 -57.35 . . 0 "[ . 1 . 2 .]"
119 . 1 119 SER C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -91.60 -51.60 -67.11 -74.27 -62.18 . . 0 "[ . 1 . 2 .]"
120 . 1 119 SER C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -59.66 -17.66 -67.11 -74.27 -62.18 14.61 15 19 "[ ********1- * +* **2*****]"
121 . 1 120 VAL C 1 121 TYR N 1 121 TYR CA 1 121 TYR C -82.38 -42.38 -65.09 -67.24 -60.54 . . 0 "[ . 1 . 2 .]"
122 . 1 120 VAL C 1 121 TYR N 1 121 TYR CA 1 121 TYR C -58.15 -16.15 -65.09 -67.24 -60.54 9.09 20 23 "[****.-**** ********+*****]"
123 . 1 121 TYR C 1 122 LYS N 1 122 LYS CA 1 122 LYS C -82.66 -42.66 -63.61 -68.61 -59.36 . . 0 "[ . 1 . 2 .]"
124 . 1 121 TYR C 1 122 LYS N 1 122 LYS CA 1 122 LYS C -63.22 -23.22 -63.61 -68.61 -59.36 5.39 23 2 "[ . 1 . 2- + .]"
125 . 1 122 LYS C 1 123 GLU N 1 123 GLU CA 1 123 GLU C -82.34 -42.34 -60.32 -62.64 -64.16 . . 0 "[ . 1 . 2 .]"
126 . 1 122 LYS C 1 123 GLU N 1 123 GLU CA 1 123 GLU C -62.04 -22.04 -60.32 -62.64 -64.16 3.74 1 0 "[ . 1 . 2 .]"
127 . 1 123 GLU C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -83.21 -43.21 -69.32 -70.27 -71.37 . . 0 "[ . 1 . 2 .]"
128 . 1 123 GLU C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -55.55 -11.55 -69.32 -70.27 -71.37 17.46 12 24 "[********-**+***** *******]"
129 . 1 124 ALA C 1 125 MET N 1 125 MET CA 1 125 MET C -99.45 -55.45 -63.15 -73.56 -58.86 . . 0 "[ . 1 . 2 .]"
130 . 1 124 ALA C 1 125 MET N 1 125 MET CA 1 125 MET C -54.38 9.62 -63.15 -73.56 -58.86 19.18 24 21 "[ **** ******* * -******+*]"
131 . 1 129 GLY C 1 130 HIS N 1 130 HIS CA 1 130 HIS C -126.00 -50.00 -61.56 -63.63 -71.67 . . 0 "[ . 1 . 2 .]"
132 . 1 129 GLY C 1 130 HIS N 1 130 HIS CA 1 130 HIS C 107.00 147.00 -61.56 -63.63 -71.67 152.48 12 25 [-**********+*************]
133 . 1 130 HIS C 1 131 LEU N 1 131 LEU CA 1 131 LEU C 171.00 -49.00 -146.07 -146.94 -141.37 . . 0 "[ . 1 . 2 .]"
134 . 1 130 HIS C 1 131 LEU N 1 131 LEU CA 1 131 LEU C 117.00 157.00 -146.07 -146.94 -141.37 61.63 13 25 [************+***-********]
135 . 1 131 LEU C 1 132 LYS N 1 132 LYS CA 1 132 LYS C -180.00 -48.00 -104.27 -111.91 -100.37 . . 0 "[ . 1 . 2 .]"
136 . 1 131 LEU C 1 132 LYS N 1 132 LYS CA 1 132 LYS C 118.00 158.00 -104.27 -111.91 -100.37 101.63 8 25 [*******+*****-***********]
137 . 1 132 LYS C 1 133 LEU N 1 133 LEU CA 1 133 LEU C 159.00 -47.00 -126.98 -124.92 -127.38 . . 0 "[ . 1 . 2 .]"
138 . 1 132 LYS C 1 133 LEU N 1 133 LEU CA 1 133 LEU C 107.00 147.00 -126.98 -124.92 -127.38 103.14 6 25 [*****+***************-***]
139 . 1 133 LEU C 1 134 PHE N 1 134 PHE CA 1 134 PHE C -122.00 -46.00 -106.62 -109.67 -94.64 . . 0 "[ . 1 . 2 .]"
140 . 1 133 LEU C 1 134 PHE N 1 134 PHE CA 1 134 PHE C 103.00 143.00 -106.62 -109.67 -94.64 122.36 9 25 [********+************-***]
141 . 1 134 PHE C 1 135 VAL N 1 135 VAL CA 1 135 VAL C 175.00 -45.00 -116.95 -111.30 -111.58 . . 0 "[ . 1 . 2 .]"
142 . 1 134 PHE C 1 135 VAL N 1 135 VAL CA 1 135 VAL C 108.00 148.00 -116.95 -111.30 -111.58 105.19 13 25 [*****-******+************]
143 . 1 135 VAL C 1 136 THR N 1 136 THR CA 1 136 THR C -160.00 -44.00 -108.60 -116.35 -100.15 . . 0 "[ . 1 . 2 .]"
144 . 1 135 VAL C 1 136 THR N 1 136 THR CA 1 136 THR C 105.00 145.00 -108.60 -116.35 -100.15 114.85 1 25 [+*-**********************]
145 . 1 136 THR C 1 137 ARG N 1 137 ARG CA 1 137 ARG C -151.00 -43.00 -92.83 -101.52 -86.40 . . 0 "[ . 1 . 2 .]"
146 . 1 136 THR C 1 137 ARG N 1 137 ARG CA 1 137 ARG C 103.00 143.00 -92.83 -101.52 -86.40 130.60 18 25 [******-**********+*******]
147 . 1 137 ARG C 1 138 ILE N 1 138 ILE CA 1 138 ILE C -130.00 -42.00 -99.15 -107.60 -89.64 . . 0 "[ . 1 . 2 .]"
148 . 1 137 ARG C 1 138 ILE N 1 138 ILE CA 1 138 ILE C 105.00 145.00 -99.15 -107.60 -89.64 125.36 8 25 [**-****+*****************]
149 . 1 142 PHE C 1 143 GLU N 1 143 GLU CA 1 143 GLU C -133.00 -37.00 -84.73 -106.04 -62.87 . . 0 "[ . 1 . 2 .]"
150 . 1 142 PHE C 1 143 GLU N 1 143 GLU CA 1 143 GLU C 108.00 148.00 -84.73 -106.04 -62.87 149.13 18 25 [**********-******+*******]
151 . 1 143 GLU C 1 144 SER N 1 144 SER CA 1 144 SER C 168.00 -36.00 -136.75 -139.53 -140.75 . . 0 "[ . 1 . 2 .]"
152 . 1 143 GLU C 1 144 SER N 1 144 SER CA 1 144 SER C 125.00 165.00 -136.75 -139.53 -140.75 65.53 18 25 [**********-******+*******]
153 . 1 144 SER C 1 145 ASP N 1 145 ASP CA 1 145 ASP C 178.77 -35.23 -99.89 -114.19 -77.63 . . 0 "[ . 1 . 2 .]"
154 . 1 144 SER C 1 145 ASP N 1 145 ASP CA 1 145 ASP C 108.88 148.88 -99.89 -114.19 -77.63 133.49 21 25 [***********-********+****]
155 . 1 145 ASP C 1 146 THR N 1 146 THR CA 1 146 THR C 175.85 -34.15 -103.37 -119.96 -89.91 . . 0 "[ . 1 . 2 .]"
156 . 1 145 ASP C 1 146 THR N 1 146 THR CA 1 146 THR C 105.84 145.84 -103.37 -119.96 -89.91 124.25 20 25 [*****************-*+*****]
157 . 1 146 THR C 1 147 PHE N 1 147 PHE CA 1 147 PHE C -167.00 -33.00 -102.11 -100.88 -101.45 . . 0 "[ . 1 . 2 .]"
158 . 1 146 THR C 1 147 PHE N 1 147 PHE CA 1 147 PHE C 114.00 154.00 -102.11 -100.88 -101.45 114.71 25 25 [**************-*********+]
159 . 1 155 LYS C 1 156 TYR N 1 156 TYR CA 1 156 TYR C 174.00 -24.00 -105.26 -102.30 -103.36 . . 0 "[ . 1 . 2 .]"
160 . 1 155 LYS C 1 156 TYR N 1 156 TYR CA 1 156 TYR C 122.00 162.00 -105.26 -102.30 -103.36 101.88 24 25 [**-********************+*]
161 . 1 156 TYR C 1 157 LYS N 1 157 LYS CA 1 157 LYS C 155.00 -23.00 -104.61 -114.87 -95.05 . . 0 "[ . 1 . 2 .]"
162 . 1 156 TYR C 1 157 LYS N 1 157 LYS CA 1 157 LYS C 103.00 157.00 -104.61 -114.87 -95.05 107.95 22 25 [*********-***********+***]
163 . 1 157 LYS C 1 158 LEU N 1 158 LEU CA 1 158 LEU C -126.00 -22.00 -80.93 -81.07 -81.61 . . 0 "[ . 1 . 2 .]"
164 . 1 157 LYS C 1 158 LEU N 1 158 LEU CA 1 158 LEU C 82.00 158.00 -80.93 -81.07 -81.61 132.67 8 25 [*******+*****-***********]
165 . 1 158 LEU C 1 159 LEU N 1 159 LEU CA 1 159 LEU C -167.00 -21.00 -114.28 -117.24 -105.64 . . 0 "[ . 1 . 2 .]"
166 . 1 158 LEU C 1 159 LEU N 1 159 LEU CA 1 159 LEU C 83.00 159.00 -114.28 -117.24 -105.64 95.36 13 25 [****-*******+************]
167 . 1 168 ASP C 1 169 VAL N 1 169 VAL CA 1 169 VAL C -157.00 -11.00 -69.43 -72.03 -73.59 . . 0 "[ . 1 . 2 .]"
168 . 1 168 ASP C 1 169 VAL N 1 169 VAL CA 1 169 VAL C 79.00 169.00 -69.43 -72.03 -73.59 126.68 3 25 [**+**-*******************]
169 . 1 169 VAL C 1 170 GLN N 1 170 GLN CA 1 170 GLN C 162.00 -10.00 -95.21 -111.21 -82.20 . . 0 "[ . 1 . 2 .]"
170 . 1 169 VAL C 1 170 GLN N 1 170 GLN CA 1 170 GLN C 135.00 175.00 -95.21 -111.21 -82.20 102.80 13 25 [**-*********+************]
171 . 1 174 GLY C 1 175 ILE N 1 175 ILE CA 1 175 ILE C 163.00 -5.00 -114.02 -115.47 -115.58 . . 0 "[ . 1 . 2 .]"
172 . 1 174 GLY C 1 175 ILE N 1 175 ILE CA 1 175 ILE C 87.00 175.00 -114.02 -115.47 -115.58 88.10 5 25 [****+****-***************]
173 . 1 184 LYS C 1 185 ASN N 1 185 ASN CA 1 185 ASN C 173.00 5.00 -99.06 -112.54 -73.09 . . 0 "[ . 1 . 2 .]"
174 . 1 184 LYS C 1 185 ASN N 1 185 ASN CA 1 185 ASN C 75.00 -175.00 -99.06 -112.54 -73.09 101.91 22 25 [***************-*****+***]
175 . 1 170 GLN C 1 171 GLU N 1 171 GLU CA 1 171 GLU C 109.00 171.00 -142.19 -149.25 -123.46 65.54 3 25 [**+-*********************]
176 . 1 175 ILE C 1 176 LYS N 1 176 LYS CA 1 176 LYS C 122.00 176.00 -98.22 -94.61 -96.83 96.33 4 25 [***+***************-*****]
177 . 1 176 LYS C 1 177 TYR N 1 177 TYR CA 1 177 TYR C 111.00 177.00 -153.30 -153.64 -153.70 36.96 12 25 [***********+**********-**]
178 . 1 177 TYR C 1 178 LYS N 1 178 LYS CA 1 178 LYS C 102.00 178.00 -120.99 -126.58 -126.83 65.22 24 25 [**********************-+*]
179 . 1 178 LYS C 1 179 PHE N 1 179 PHE CA 1 179 PHE C 81.00 179.00 -104.29 -115.68 -88.97 92.03 5 25 [****+******-*************]
180 . 1 179 PHE C 1 180 GLU N 1 180 GLU CA 1 180 GLU C 118.00 180.00 -118.54 -129.25 -110.18 69.82 8 25 [*******+*-***************]
181 . 1 180 GLU C 1 181 VAL N 1 181 VAL CA 1 181 VAL C 69.00 -179.00 -113.59 -110.55 -111.72 73.69 2 25 [*+*********-*************]
182 . 1 181 VAL C 1 182 TYR N 1 182 TYR CA 1 182 TYR C 106.00 -178.00 -125.56 -124.40 -125.28 60.74 21 25 [*************-******+****]
183 . 1 182 TYR C 1 183 GLU N 1 183 GLU CA 1 183 GLU C 79.00 -177.00 -117.39 -119.99 -120.99 69.38 3 25 [**+*****************-****]
184 . 1 183 GLU C 1 184 LYS N 1 184 LYS CA 1 184 LYS C 68.00 -176.00 -101.27 -104.82 -100.10 75.90 25 25 [**-*********************+]
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