NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
411952 |
2ayz   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ayz
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 173
_TA_constraint_stats_list.Viol_count 1868
_TA_constraint_stats_list.Viol_total 341582.63
_TA_constraint_stats_list.Viol_max 30.03
_TA_constraint_stats_list.Viol_rms 5.51
_TA_constraint_stats_list.Viol_average_all_restraints 3.16
_TA_constraint_stats_list.Viol_average_violations_only 7.31
_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 PHI 1 8 ASP C 1 9 MET N 1 9 MET CA 1 9 MET C -131.00 -95.00 -112.73 -151.30 -74.05 20.95 18 20 "[ ***.*** **** ***+*-* ***]"
2 PSI 1 9 MET N 1 9 MET CA 1 9 MET C 1 10 MET N 115.00 159.00 115.45 101.63 95.35 23.45 4 10 "[* +*-* 1 * . 2 ****]"
3 PHI 1 9 MET C 1 10 MET N 1 10 MET CA 1 10 MET C -129.00 -91.00 -96.45 -118.28 -83.54 7.46 24 1 "[ . 1 . 2 +.]"
4 PSI 1 10 MET N 1 10 MET CA 1 10 MET C 1 11 ILE N 115.00 137.00 118.37 111.12 110.44 6.67 1 2 "[+ . 1 - . 2 .]"
5 PHI 1 10 MET C 1 11 ILE N 1 11 ILE CA 1 11 ILE C -129.00 -97.00 -112.05 -121.20 -98.76 . . 0 "[ . 1 . 2 .]"
6 PSI 1 11 ILE N 1 11 ILE CA 1 11 ILE C 1 12 LEU N 115.00 153.00 137.80 128.03 146.25 . . 0 "[ . 1 . 2 .]"
7 PHI 1 11 ILE C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -137.00 -109.00 -98.74 -96.61 -98.45 15.22 16 21 "[****.* **1*****+***2**-**]"
8 PSI 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 VAL N 124.00 164.00 111.11 118.04 116.87 20.33 16 24 [*-**.**********+*********]
9 PHI 1 12 LEU C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -131.00 -101.00 -98.27 -104.25 -106.62 12.46 24 11 "[ **.* * 1 * .* -** * +.]"
10 PSI 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 VAL N 116.00 156.00 100.67 94.44 116.99 21.56 16 24 "[-**************+****** **]"
11 PHI 1 13 VAL C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -121.00 -83.00 -109.67 -114.06 -116.57 2.08 23 0 "[ . 1 . 2 .]"
12 PSI 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 ASP N 106.00 150.00 124.09 81.84 143.59 24.16 15 7 "[ * ** 1 + * * -]"
13 PHI 1 14 VAL C 1 15 ASP N 1 15 ASP CA 1 15 ASP C -129.00 -71.00 -141.10 -114.37 -142.89 30.03 19 18 "[* **. ********.** +2-***.]"
14 PSI 1 15 ASP N 1 15 ASP CA 1 15 ASP C 1 16 ASP N 105.00 147.00 139.49 153.65 151.98 7.97 2 2 "[ + . 1 . - 2 .]"
15 PSI 1 18 PRO N 1 18 PRO CA 1 18 PRO C 1 19 ILE N -42.00 -20.00 -38.66 -39.07 -39.21 11.12 15 4 "[ . * + *2 -.]"
16 PHI 1 18 PRO C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -71.00 -61.00 -62.08 -64.82 -67.90 5.69 8 1 "[ . + 1 . 2 .]"
17 PSI 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 ASN N -40.00 -28.00 -40.75 -37.04 -37.63 9.13 11 8 "[ *. 1+* . **-* *]"
18 PHI 1 19 ILE C 1 20 ASN N 1 20 ASN CA 1 20 ASN C -75.00 -59.00 -78.83 -84.17 -71.02 9.17 6 10 "[ * .+* 1**- . * * * *]"
19 PSI 1 20 ASN N 1 20 ASN CA 1 20 ASN C 1 21 ARG N -50.00 -32.00 -30.18 -33.47 -36.26 10.12 11 10 "[ * .* 1+* *.* ** - *]"
20 PHI 1 20 ASN C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -63.00 -57.00 -58.47 -64.45 -53.40 3.60 5 0 "[ . 1 . 2 .]"
21 PSI 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 ARG N -48.00 -38.00 -48.25 -53.35 -33.68 5.35 6 3 "[ .+ 1 * 2- .]"
22 PHI 1 21 ARG C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -69.00 -57.00 -64.52 -70.96 -54.89 2.11 1 0 "[ . 1 . 2 .]"
23 PSI 1 22 ARG N 1 22 ARG CA 1 22 ARG C 1 23 LEU N -45.00 -35.00 -38.44 -40.42 -46.60 7.23 15 9 "[* * . 1 * + ** * - *.]"
24 PHI 1 22 ARG C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -76.00 -60.00 -70.30 -78.09 -63.06 2.09 24 0 "[ . 1 . 2 .]"
25 PSI 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 LEU N -45.00 -30.00 -42.59 -53.13 -25.45 8.13 4 6 "[ +. 1* - * ** .]"
26 PHI 1 23 LEU C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -68.00 -56.00 -67.58 -66.76 -66.92 5.43 12 2 "[ . 1 + . - 2 .]"
27 PSI 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 ALA N -50.00 -35.00 -38.01 -41.83 -42.78 8.04 13 1 "[ . 1 + . 2 .]"
28 PHI 1 24 LEU C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -70.00 -60.00 -69.10 -73.23 -59.85 3.23 15 0 "[ . 1 . 2 .]"
29 PSI 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 ASP N -46.00 -32.00 -30.22 -27.09 -28.23 7.78 15 7 "[ ** . **-1 + * 2 .]"
30 PHI 1 25 ALA C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -75.00 -61.00 -66.63 -75.09 -59.83 1.17 24 0 "[ . 1 . 2 .]"
31 PSI 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 GLN N -48.00 -30.00 -46.73 -56.21 -36.83 8.21 23 2 "[ . - . 2 + .]"
32 PHI 1 26 ASP C 1 27 GLN N 1 27 GLN CA 1 27 GLN C -70.00 -58.00 -61.16 -67.62 -56.09 1.91 19 0 "[ . 1 . 2 .]"
33 PSI 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1 28 LEU N -46.00 -34.00 -43.12 -39.55 -40.81 6.34 13 1 "[ . 1 + . 2 .]"
34 PHI 1 27 GLN C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -69.00 -63.00 -62.85 -63.25 -63.54 3.44 10 0 "[ . 1 . 2 .]"
35 PSI 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 GLY N -45.00 -37.00 -38.03 -43.46 -31.38 5.62 12 2 "[ . - 1 + . 2 .]"
36 PHI 1 28 LEU C 1 29 GLY N 1 29 GLY CA 1 29 GLY C -73.00 -57.00 -64.92 -69.12 -59.41 . . 0 "[ . 1 . 2 .]"
37 PSI 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 SER N -42.00 -28.00 -32.91 -31.44 -33.21 6.24 14 1 "[ . 1 +. 2 .]"
38 PHI 1 29 GLY C 1 30 SER N 1 30 SER CA 1 30 SER C -79.00 -57.00 -70.38 -72.60 -74.46 3.97 14 0 "[ . 1 . 2 .]"
39 PSI 1 30 SER N 1 30 SER CA 1 30 SER C 1 31 LEU N -44.00 -18.00 -27.89 -40.84 -16.54 1.46 3 0 "[ . 1 . 2 .]"
40 PHI 1 33 TYR C 1 34 GLN N 1 34 GLN CA 1 34 GLN C -133.00 -81.00 -69.72 -85.41 -61.33 19.67 1 22 "[+****** ****-**** ***** *]"
41 PSI 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 CYS N 124.00 154.00 122.97 131.28 128.79 15.71 18 7 "[ . * 1 **.* + 2 *-.]"
42 PHI 1 34 GLN C 1 35 CYS N 1 35 CYS CA 1 35 CYS C -132.00 -98.00 -105.79 -119.12 -89.78 8.22 18 3 "[ . * 1 - . + 2 .]"
43 PSI 1 35 CYS N 1 35 CYS CA 1 35 CYS C 1 36 LYS N 122.00 164.00 109.43 107.96 106.30 22.19 24 21 "[***** ***** **.**-**** +*]"
44 PHI 1 35 CYS C 1 36 LYS N 1 36 LYS CA 1 36 LYS C -154.00 -110.00 -102.24 -93.39 -96.73 22.10 22 14 "[*** . ****-**. * 2 + **]"
45 PSI 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 THR N 129.00 165.00 116.71 115.78 115.07 19.51 13 22 "[****-*******+*.** *2*****]"
46 PHI 1 36 LYS C 1 37 THR N 1 37 THR CA 1 37 THR C -130.00 -104.00 -92.14 -106.34 -88.61 15.39 3 24 [**+**************-*2*****]
47 PSI 1 37 THR N 1 37 THR CA 1 37 THR C 1 38 ALA N 122.00 146.00 135.95 136.22 136.21 9.08 12 1 "[ . 1 + . 2 .]"
48 PHI 1 37 THR C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -154.00 -112.00 -148.90 -158.66 -117.96 4.66 18 0 "[ . 1 . 2 .]"
49 PSI 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 ASN N 130.00 170.00 170.73 174.44 172.48 21.70 23 6 "[ - . *1 * * + *]"
50 PHI 1 38 ALA C 1 39 ASN N 1 39 ASN CA 1 39 ASN C -150.00 -125.00 -146.28 -159.46 -131.43 9.46 15 3 "[ . 1 + - * .]"
51 PSI 1 39 ASN N 1 39 ASN CA 1 39 ASN C 1 40 ASP N 95.00 131.00 72.95 74.16 73.66 25.00 6 25 [*****+**-****************]
52 PHI 1 39 ASN C 1 40 ASP N 1 40 ASP CA 1 40 ASP C -172.00 -126.00 162.42 160.04 164.98 27.96 12 25 [***********+**-**********]
53 PSI 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 GLY N 140.00 180.00 159.68 164.28 162.52 3.22 9 0 "[ . 1 . 2 .]"
54 PHI 1 41 GLY C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -68.00 -58.00 -72.64 -74.74 -66.56 6.74 6 17 "[ **-+ **1***** ** * ***]"
55 PSI 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 ASP N -50.00 -38.00 -29.89 -29.67 -30.27 9.56 16 25 [***************+******-**]
56 PHI 1 42 VAL C 1 43 ASP N 1 43 ASP CA 1 43 ASP C -72.00 -56.00 -60.63 -62.68 -63.52 4.06 20 0 "[ . 1 . 2 .]"
57 PSI 1 43 ASP N 1 43 ASP CA 1 43 ASP C 1 44 ALA N -45.00 -29.00 -35.72 -42.89 -24.53 4.47 20 0 "[ . 1 . 2 .]"
58 PHI 1 43 ASP C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -65.00 -55.00 -61.80 -66.61 -56.98 1.61 8 0 "[ . 1 . 2 .]"
59 PSI 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 LEU N -52.00 -40.00 -41.79 -44.58 -47.04 6.47 16 5 "[ * . 1* .+- 2 *.]"
60 PHI 1 44 ALA C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -69.00 -59.00 -67.98 -64.54 -66.47 6.04 9 3 "[ . +* - 2 .]"
61 PSI 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 ASN N -45.00 -33.00 -37.23 -50.32 -26.96 6.04 20 4 "[* -. 1 . * + .]"
62 PHI 1 45 LEU C 1 46 ASN N 1 46 ASN CA 1 46 ASN C -73.00 -59.00 -63.64 -71.09 -57.86 1.14 19 0 "[ . 1 . 2 .]"
63 PSI 1 46 ASN N 1 46 ASN CA 1 46 ASN C 1 47 VAL N -48.00 -34.00 -49.92 -55.55 -42.19 7.55 19 4 "[ .- 1 * +* .]"
64 PHI 1 46 ASN C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -71.00 -63.00 -66.20 -72.71 -61.66 1.71 22 0 "[ . 1 . 2 .]"
65 PSI 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 LEU N -48.00 -38.00 -32.53 -32.83 -34.23 7.54 9 21 "[ ******-+* * ***********]"
66 PHI 1 47 VAL C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -65.00 -57.00 -64.71 -69.07 -56.97 4.07 14 0 "[ . 1 . 2 .]"
67 PSI 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 SER N -42.00 -36.00 -35.11 -45.12 -31.73 4.27 1 0 "[ . 1 . 2 .]"
68 PHI 1 48 LEU C 1 49 SER N 1 49 SER CA 1 49 SER C -83.00 -65.00 -73.89 -76.30 -77.61 0.45 14 0 "[ . 1 . 2 .]"
69 PSI 1 49 SER N 1 49 SER CA 1 49 SER C 1 50 LYS N -42.00 -10.00 -28.16 -21.81 -26.81 . . 0 "[ . 1 . 2 .]"
70 PSI 1 55 ILE N 1 55 ILE CA 1 55 ILE C 1 56 VAL N 118.00 158.00 132.29 116.61 143.55 1.39 7 0 "[ . 1 . 2 .]"
71 PHI 1 55 ILE C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -138.00 -94.00 -112.94 -124.17 -98.23 . . 0 "[ . 1 . 2 .]"
72 PSI 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 LEU N 119.00 147.00 127.79 126.76 124.67 4.13 15 0 "[ . 1 . 2 .]"
73 PHI 1 56 VAL C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -134.00 -102.00 -123.06 -122.11 -123.32 2.53 17 0 "[ . 1 . 2 .]"
74 PSI 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 SER N 119.00 157.00 108.40 98.22 137.85 20.78 5 19 "[****+* * *** ** *** *-**]"
75 PHI 1 57 LEU C 1 58 SER N 1 58 SER CA 1 58 SER C -134.00 -102.00 -104.05 -99.65 -102.49 16.72 20 8 "[ ****- 1 * * + .]"
76 PSI 1 58 SER N 1 58 SER CA 1 58 SER C 1 59 ASP N 115.00 151.00 107.92 96.75 132.27 18.25 4 17 "[ **+* * 1 *-** ********]"
77 PHI 1 58 SER C 1 59 ASP N 1 59 ASP CA 1 59 ASP C -109.00 -55.00 -90.75 -93.72 -94.94 . . 0 "[ . 1 . 2 .]"
78 PSI 1 59 ASP N 1 59 ASP CA 1 59 ASP C 1 60 VAL N 126.00 164.00 118.44 117.98 117.78 20.78 5 17 "[*** +* **** * ***2* *-*]"
79 PHI 1 68 TYR C 1 69 ARG N 1 69 ARG CA 1 69 ARG C -68.00 -60.00 -59.74 -60.96 -63.10 12.71 17 1 "[ . 1 . + 2 .]"
80 PSI 1 69 ARG N 1 69 ARG CA 1 69 ARG C 1 70 LEU N -45.00 -37.00 -26.68 -28.23 -28.92 14.39 19 25 [******************+-*****]
81 PHI 1 69 ARG C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -74.00 -62.00 -68.15 -79.26 -58.48 5.26 22 1 "[ . 1 . 2 + .]"
82 PSI 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 THR N -51.00 -30.00 -31.21 -47.77 -18.74 11.26 20 4 "[* . 1 .* + - .]"
83 PHI 1 70 LEU C 1 71 THR N 1 71 THR CA 1 71 THR C -76.00 -58.00 -77.25 -81.41 -84.89 9.35 8 5 "[* .* + 1 . * 2- .]"
84 PSI 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 GLN N -46.00 -34.00 -28.76 -28.26 -28.32 9.33 6 19 "[** *.+** ****** ** 2*-***]"
85 PHI 1 71 THR C 1 72 GLN N 1 72 GLN CA 1 72 GLN C -70.00 -58.00 -60.35 -61.68 -62.32 3.48 17 0 "[ . 1 . 2 .]"
86 PSI 1 72 GLN N 1 72 GLN CA 1 72 GLN C 1 73 ARG N -44.00 -30.00 -41.56 -41.96 -43.36 4.48 9 0 "[ . 1 . 2 .]"
87 PHI 1 72 GLN C 1 73 ARG N 1 73 ARG CA 1 73 ARG C -70.00 -58.00 -64.10 -73.13 -57.73 3.13 8 0 "[ . 1 . 2 .]"
88 PSI 1 73 ARG N 1 73 ARG CA 1 73 ARG C 1 74 ILE N -44.00 -34.00 -37.33 -43.95 -28.84 5.16 10 1 "[ . + . 2 .]"
89 PHI 1 73 ARG C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -69.00 -59.00 -61.11 -65.51 -67.37 5.20 6 1 "[ .+ 1 . 2 .]"
90 PSI 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 ARG N -47.00 -37.00 -42.81 -35.65 -37.20 5.27 15 1 "[ . 1 + 2 .]"
91 PHI 1 74 ILE C 1 75 ARG N 1 75 ARG CA 1 75 ARG C -70.00 -60.00 -68.61 -69.65 -70.48 5.06 13 1 "[ . 1 + . 2 .]"
92 PSI 1 75 ARG N 1 75 ARG CA 1 75 ARG C 1 76 GLN N -45.00 -31.00 -34.37 -45.15 -23.30 7.70 16 6 "[* . ** .+* 2- .]"
93 PHI 1 75 ARG C 1 76 GLN N 1 76 GLN CA 1 76 GLN C -75.00 -55.00 -67.86 -68.30 -71.73 5.42 22 1 "[ . 1 . 2 + .]"
94 PSI 1 76 GLN N 1 76 GLN CA 1 76 GLN C 1 77 LEU N -47.00 -23.00 -35.07 -37.60 -38.25 4.19 7 0 "[ . 1 . 2 .]"
95 PHI 1 78 GLY C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -122.00 -50.00 -76.58 -71.07 -73.43 5.05 24 1 "[ . 1 . 2 +.]"
96 PSI 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 THR N 129.00 163.00 137.34 131.97 129.86 18.56 3 5 "[* + . -1* . 2 * .]"
97 PSI 1 82 PRO N 1 82 PRO CA 1 82 PRO C 1 83 VAL N 118.00 158.00 124.30 133.75 131.59 19.69 25 4 "[ . 1- . * * +]"
98 PHI 1 82 PRO C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -133.00 -105.00 -108.24 -119.59 -96.86 8.14 9 4 "[ . * +1 -. 2 *]"
99 PSI 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 ILE N 120.00 154.00 119.65 113.62 110.08 14.36 1 7 "[+ * . * *1 *. -*2 .]"
100 PHI 1 83 VAL C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -127.00 -99.00 -103.86 -118.15 -84.57 14.43 3 3 "[- + . 1* . 2 .]"
101 PSI 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 GLY N 113.00 153.00 111.97 111.08 110.37 14.72 11 7 "[ . * -1+ * . **2 *]"
102 PHI 1 84 ILE C 1 85 GLY N 1 85 GLY CA 1 85 GLY C -144.00 -96.00 -93.83 -123.86 -83.93 12.07 18 13 "[*** . * *-* * . +*2* **.]"
103 PSI 1 85 GLY N 1 85 GLY CA 1 85 GLY C 1 86 VAL N 112.00 156.00 111.00 121.53 117.56 20.26 3 9 "[* + .-* *1 ***. * 2 .]"
104 PHI 1 85 GLY C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -113.00 -85.00 -87.79 -101.99 -75.84 9.16 7 4 "[* .-+ 1 * . 2 .]"
105 PSI 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 THR N 112.00 146.00 111.90 93.90 146.41 18.10 16 11 "[ ** ** 1 -+ * ** **.]"
106 PHI 1 86 VAL C 1 87 THR N 1 87 THR CA 1 87 THR C -146.00 -95.00 -120.25 -121.50 -126.75 6.86 16 1 "[ . 1 .+ 2 .]"
107 PSI 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 ALA N 112.00 160.00 153.23 171.78 167.58 25.25 3 5 "[ *+ * 1 * .- 2 .]"
108 PHI 1 87 THR C 1 88 ALA N 1 88 ALA CA 1 88 ALA C -125.00 -89.00 -121.55 -145.13 -78.12 20.13 9 13 "[*** * +* * ** **2*- .]"
109 PSI 1 88 ALA N 1 88 ALA CA 1 88 ALA C 1 89 ASN N 121.00 151.00 114.53 102.48 165.07 18.52 25 19 "[**-** ** ** * . ********+]"
110 PHI 1 93 GLU C 1 94 GLU N 1 94 GLU CA 1 94 GLU C -69.00 -57.00 -62.43 -70.87 -57.24 1.87 12 0 "[ . 1 . 2 .]"
111 PSI 1 94 GLU N 1 94 GLU CA 1 94 GLU C 1 95 LYS N -51.00 -29.00 -37.33 -52.68 -26.27 2.73 12 0 "[ . 1 . 2 .]"
112 PHI 1 94 GLU C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -74.00 -56.00 -70.80 -77.65 -63.54 3.65 24 0 "[ . 1 . 2 .]"
113 PSI 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 GLN N -46.00 -24.00 -37.06 -46.74 -29.88 0.74 15 0 "[ . 1 . 2 .]"
114 PHI 1 95 LYS C 1 96 GLN N 1 96 GLN CA 1 96 GLN C -69.00 -57.00 -70.40 -75.69 -63.52 6.69 15 5 "[ - . **1 + * 2 .]"
115 PSI 1 96 GLN N 1 96 GLN CA 1 96 GLN C 1 97 ARG N -51.00 -37.00 -33.64 -34.28 -35.31 9.54 25 12 "[ * ** **-* ** 2* * +]"
116 PHI 1 96 GLN C 1 97 ARG N 1 97 ARG CA 1 97 ARG C -68.00 -58.00 -61.31 -68.33 -51.32 6.68 17 3 "[ . 1 * . +- 2 .]"
117 PSI 1 97 ARG N 1 97 ARG CA 1 97 ARG C 1 98 CYS N -48.00 -32.00 -35.69 -38.01 -39.74 5.63 23 2 "[ . 1 - . 2 + .]"
118 PHI 1 97 ARG C 1 98 CYS N 1 98 CYS CA 1 98 CYS C -71.00 -61.00 -72.08 -77.49 -59.38 6.49 19 7 "[ * ** 1 - . **+2 .]"
119 PSI 1 98 CYS N 1 98 CYS CA 1 98 CYS C 1 99 LEU N -45.00 -33.00 -32.48 -33.42 -34.68 6.73 21 5 "[ * *. 1 * 2+ -]"
120 PHI 1 98 CYS C 1 99 LEU N 1 99 LEU CA 1 99 LEU C -67.00 -61.00 -71.02 -73.13 -67.19 6.13 23 5 "[ . * . *2 -+*.]"
121 PSI 1 99 LEU N 1 99 LEU CA 1 99 LEU C 1 100 GLU N -45.00 -33.00 -52.01 -51.88 -52.16 9.50 24 22 "[****-* *** ********2***+*]"
122 PHI 1 99 LEU C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -73.00 -65.00 -77.57 -77.57 -77.89 6.89 24 15 "[* * * -* 1 ***.* **2 **+*]"
123 PSI 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 SER N -44.00 -32.00 -35.60 -47.73 -22.17 9.83 1 8 "[+ * * *-** . * .]"
124 PHI 1 100 GLU C 1 101 SER N 1 101 SER CA 1 101 SER C 35.00 45.00 51.65 45.51 54.28 9.28 16 22 "[****-******** *+**** ***.]"
125 PSI 1 101 SER N 1 101 SER CA 1 101 SER C 1 102 GLY N 20.00 40.00 51.41 47.74 54.41 14.41 3 25 [**+******************-***]
126 PHI 1 101 SER C 1 102 GLY N 1 102 GLY CA 1 102 GLY C -133.00 -105.00 -141.05 -147.44 -147.60 15.39 7 18 "[** **+*** * *** *-****]"
127 PSI 1 102 GLY N 1 102 GLY CA 1 102 GLY C 1 103 MET N -18.00 10.00 12.91 -16.35 27.07 17.07 1 12 "[+ * * * ** .-* ** **]"
128 PHI 1 104 ASP C 1 105 SER N 1 105 SER CA 1 105 SER C -157.00 -101.00 -138.27 -138.04 -140.31 5.59 25 1 "[ . 1 . 2 +]"
129 PSI 1 105 SER N 1 105 SER CA 1 105 SER C 1 106 CYS N 125.00 169.00 156.44 134.40 173.81 4.81 3 0 "[ . 1 . 2 .]"
130 PHI 1 105 SER C 1 106 CYS N 1 106 CYS CA 1 106 CYS C -152.00 -118.00 -126.71 -148.38 -105.23 12.77 6 3 "[ .+ 1 - 2 *]"
131 PSI 1 106 CYS N 1 106 CYS CA 1 106 CYS C 1 107 LEU N 127.00 163.00 137.76 138.22 136.69 9.08 11 3 "[ - . 1+ .* 2 .]"
132 PHI 1 106 CYS C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -141.00 -93.00 -128.56 -139.56 -113.21 . . 0 "[ . 1 . 2 .]"
133 PSI 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 SER N 115.00 161.00 -178.62 167.58 -174.28 24.72 16 25 [***************+********-]
134 PHI 1 107 LEU C 1 108 SER N 1 108 SER CA 1 108 SER C -136.00 -90.00 -108.18 -108.63 -110.50 . . 0 "[ . 1 . 2 .]"
135 PSI 1 108 SER N 1 108 SER CA 1 108 SER C 1 109 LYS N 100.00 140.00 148.46 135.83 160.24 20.24 24 15 "[** .*** 1** * * *** *+-]"
136 PHI 1 112 THR C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -65.00 -57.00 -57.44 -62.56 -52.63 4.37 16 0 "[ . 1 . 2 .]"
137 PSI 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 ASP N -40.00 -28.00 -43.93 -46.29 -46.31 7.98 22 17 "[** *.* **** *.* ****+ *-]"
138 PHI 1 113 LEU C 1 114 ASP N 1 114 ASP CA 1 114 ASP C -72.00 -52.00 -68.85 -77.59 -59.87 5.59 8 1 "[ . + 1 . 2 .]"
139 PSI 1 114 ASP N 1 114 ASP CA 1 114 ASP C 1 115 VAL N -56.00 -28.00 -44.42 -44.72 -46.25 5.43 7 2 "[ - . + 1 . 2 .]"
140 PHI 1 114 ASP C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -72.00 -60.00 -62.88 -70.48 -58.14 1.86 1 0 "[ . 1 . 2 .]"
141 PSI 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 ILE N -44.00 -28.00 -43.92 -47.98 -29.52 3.98 4 0 "[ . 1 . 2 .]"
142 PHI 1 115 VAL C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -70.00 -62.00 -65.86 -71.25 -57.73 4.27 23 0 "[ . 1 . 2 .]"
143 PSI 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 LYS N -49.00 -31.00 -32.64 -35.97 -38.35 9.53 6 3 "[ -.+ 1 . * 2 .]"
144 PHI 1 116 ILE C 1 117 LYS N 1 117 LYS CA 1 117 LYS C -71.00 -55.00 -68.50 -76.03 -63.23 5.03 7 1 "[ . + 1 . 2 .]"
145 PSI 1 117 LYS N 1 117 LYS CA 1 117 LYS C 1 118 GLN N -44.00 -36.00 -42.96 -44.84 -47.61 4.72 8 0 "[ . 1 . 2 .]"
146 PHI 1 117 LYS C 1 118 GLN N 1 118 GLN CA 1 118 GLN C -73.00 -53.00 -63.15 -66.49 -67.32 . . 0 "[ . 1 . 2 .]"
147 PSI 1 118 GLN N 1 118 GLN CA 1 118 GLN C 1 119 THR N -50.00 -26.00 -47.40 -61.03 -35.29 11.03 9 4 "[ * . +1- * . 2 .]"
148 PHI 1 118 GLN C 1 119 THR N 1 119 THR CA 1 119 THR C -70.00 -60.00 -65.31 -65.11 -65.32 2.89 23 0 "[ . 1 . 2 .]"
149 PSI 1 119 THR N 1 119 THR CA 1 119 THR C 1 120 LEU N -57.00 -24.00 -44.23 -41.99 -42.93 . . 0 "[ . 1 . 2 .]"
150 PHI 1 119 THR C 1 120 LEU N 1 120 LEU CA 1 120 LEU C -73.00 -61.00 -61.93 -62.29 -63.22 5.94 11 1 "[ . 1+ . 2 .]"
151 PSI 1 120 LEU N 1 120 LEU CA 1 120 LEU C 1 121 THR N -56.00 -36.00 -51.06 -65.30 -38.53 9.30 9 1 "[ . +1 . 2 .]"
152 PHI 1 120 LEU C 1 121 THR N 1 121 THR CA 1 121 THR C -74.00 -62.00 -63.35 -63.01 -64.02 5.13 8 1 "[ . + 1 . 2 .]"
153 PSI 1 121 THR N 1 121 THR CA 1 121 THR C 1 122 LEU N -50.00 -38.00 -42.05 -44.74 -46.00 6.33 20 1 "[ . 1 . + .]"
154 PHI 1 121 THR C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -71.00 -61.00 -64.83 -71.88 -55.93 5.07 25 1 "[ . 1 . 2 +]"
155 PSI 1 122 LEU N 1 122 LEU CA 1 122 LEU C 1 123 TYR N -47.00 -35.00 -43.07 -43.29 -44.58 6.01 8 2 "[ . + 1 . 2 -]"
156 PHI 1 122 LEU C 1 123 TYR N 1 123 TYR CA 1 123 TYR C -77.00 -59.00 -75.73 -84.85 -65.53 7.85 2 4 "[ + * 1 . 2* - .]"
157 PSI 1 123 TYR N 1 123 TYR CA 1 123 TYR C 1 124 ALA N -47.00 -33.00 -34.60 -53.14 -25.55 7.45 1 7 "[+* * 1* *- 2 *.]"
158 PHI 1 123 TYR C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -65.00 -50.00 -62.51 -66.95 -56.65 1.95 23 0 "[ . 1 . 2 .]"
159 PSI 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 GLU N -46.00 -36.00 -41.94 -51.26 -32.02 5.26 14 1 "[ . 1 +. 2 .]"
160 PHI 1 124 ALA C 1 125 GLU N 1 125 GLU CA 1 125 GLU C -77.00 -57.00 -68.97 -75.98 -61.89 . . 0 "[ . 1 . 2 .]"
161 PSI 1 125 GLU N 1 125 GLU CA 1 125 GLU C 1 126 ARG N -48.00 -28.00 -35.31 -48.68 -24.55 3.45 22 0 "[ . 1 . 2 .]"
162 PHI 1 125 GLU C 1 126 ARG N 1 126 ARG CA 1 126 ARG C -69.00 -61.00 -65.79 -59.49 -60.97 4.80 17 0 "[ . 1 . 2 .]"
163 PSI 1 126 ARG N 1 126 ARG CA 1 126 ARG C 1 127 VAL N -41.00 -29.00 -45.80 -48.84 -34.02 7.84 21 19 "[** ** **1****-* ***+** *]"
164 PHI 1 126 ARG C 1 127 VAL N 1 127 VAL CA 1 127 VAL C -75.00 -57.00 -72.05 -77.03 -65.14 2.03 24 0 "[ . 1 . 2 .]"
165 PSI 1 127 VAL N 1 127 VAL CA 1 127 VAL C 1 128 ARG N -49.00 -37.00 -31.40 -39.07 -29.33 7.67 1 20 "[+ **.** *1****-******* **]"
166 PHI 1 127 VAL C 1 128 ARG N 1 128 ARG CA 1 128 ARG C -71.00 -57.00 -65.59 -75.69 -57.50 4.69 18 0 "[ . 1 . 2 .]"
167 PSI 1 128 ARG N 1 128 ARG CA 1 128 ARG C 1 129 LYS N -40.00 -20.00 -44.07 -50.85 -26.80 10.85 12 14 "[ * *. ****+- .* *** **]"
168 PHI 1 128 ARG C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -83.00 -63.00 -73.02 -83.30 -62.44 0.56 11 0 "[ . 1 . 2 .]"
169 PSI 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 SER N -48.00 -26.00 -31.29 -32.09 -33.69 10.33 10 5 "[ . * + .*- 2 * .]"
170 PHI 1 129 LYS C 1 130 SER N 1 130 SER CA 1 130 SER C -77.00 -57.00 -72.36 -75.40 -75.60 9.21 25 3 "[ . 1 * . - 2 +]"
171 PSI 1 130 SER N 1 130 SER CA 1 130 SER C 1 131 ARG N -48.00 -28.00 -32.69 -51.62 -17.54 10.46 6 6 "[ .+* *1 * . * 2 -]"
172 PHI 1 130 SER C 1 131 ARG N 1 131 ARG CA 1 131 ARG C -83.00 -59.00 -83.29 -79.66 -81.05 12.57 1 8 "[+ .* ** . - 2 ** *]"
173 PSI 1 131 ARG N 1 131 ARG CA 1 131 ARG C 1 132 ASP N -51.00 -31.00 -42.81 -23.22 -26.00 12.40 19 15 "[ **** * *1****. *+*- *]"
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