NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
486263 |
2rml   |
11011 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2rml
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 165
_TA_constraint_stats_list.Viol_count 1058
_TA_constraint_stats_list.Viol_total 330220.34
_TA_constraint_stats_list.Viol_max 106.09
_TA_constraint_stats_list.Viol_rms 9.49
_TA_constraint_stats_list.Viol_average_all_restraints 3.20
_TA_constraint_stats_list.Viol_average_violations_only 12.48
_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 4 GLU C 1 5 GLN N 1 5 GLN CA 1 5 GLN C -140.00 -100.00 -98.12 -70.28 -78.64 35.78 18 12 "[-* . *1****. *+ 2*** .]"
2 PHI 1 5 GLN C 1 6 LYS N 1 6 LYS CA 1 6 LYS C -140.00 -100.00 -125.41 -154.91 -99.94 14.91 10 1 "[ . + . 2 .]"
3 PHI 1 6 LYS C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -140.00 -100.00 -110.77 -157.20 -76.81 23.19 4 7 "[- *+. *1 .** 2 *.]"
4 PHI 1 7 GLU C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -140.00 -100.00 -153.32 -154.09 -156.12 28.85 9 18 "[** *.* *+1* ***-***2****.]"
5 PHI 1 8 ILE C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -140.00 -100.00 -132.11 -151.05 -108.45 11.05 14 4 "[ . * 1 +. - 2 *]"
6 PHI 1 9 ALA C 1 10 MET N 1 10 MET CA 1 10 MET C -140.00 -100.00 -145.17 -155.40 -157.04 21.35 13 18 "[** *** * 1**+**** -2* ***]"
7 PHI 1 10 MET C 1 11 GLN N 1 11 GLN CA 1 11 GLN C -140.00 -100.00 -89.58 -143.14 -66.74 33.26 9 17 "[ **.***+*****- * 2 ****]"
8 PHI 1 11 GLN C 1 12 VAL N 1 12 VAL CA 1 12 VAL C -140.00 -100.00 -134.07 171.67 -95.64 48.33 3 5 "[ *+ * 1 .* 2 -.]"
9 PHI 1 12 VAL C 1 13 SER N 1 13 SER CA 1 13 SER C -140.00 -100.00 -106.05 -84.01 -90.75 16.43 20 6 "[ * . - * * * + .]"
10 PHI 1 14 GLY C 1 15 MET N 1 15 MET CA 1 15 MET C -140.00 -100.00 -84.20 -77.25 -79.57 27.91 3 22 "[**+ ** ****** **-********]"
11 PHI 1 15 MET C 1 16 THR N 1 16 THR CA 1 16 THR C -140.00 -100.00 -83.01 -140.30 -49.50 50.50 17 20 "[*-*** **** *****+ * ****]"
12 PHI 1 19 ALA C 1 20 CYS N 1 20 CYS CA 1 20 CYS C -70.00 -30.00 -56.70 -66.40 -67.63 5.94 4 1 "[ +. 1 . 2 .]"
13 PHI 1 20 CYS C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -70.00 -30.00 -57.00 -52.33 -53.79 . . 0 "[ . 1 . 2 .]"
14 PHI 1 21 ALA C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -70.00 -30.00 -55.30 -61.29 -50.09 . . 0 "[ . 1 . 2 .]"
15 PHI 1 22 ALA C 1 23 ARG N 1 23 ARG CA 1 23 ARG C -70.00 -30.00 -68.49 -98.05 -44.92 28.05 24 3 "[ . 1 - .* 2 +.]"
16 PHI 1 23 ARG C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -70.00 -30.00 -70.45 -68.86 -69.81 17.19 12 2 "[ . -1 + . 2 .]"
17 PHI 1 24 ILE C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -70.00 -30.00 -61.75 -63.54 -64.15 . . 0 "[ . 1 . 2 .]"
18 PHI 1 25 GLU C 1 26 LYS N 1 26 LYS CA 1 26 LYS C -70.00 -30.00 -65.62 -64.42 -65.32 5.56 12 1 "[ . 1 + . 2 .]"
19 PHI 1 26 LYS C 1 27 GLY N 1 27 GLY CA 1 27 GLY C -70.00 -30.00 -69.10 -67.40 -69.12 17.74 1 5 "[+ * . - 1* . *2 .]"
20 PHI 1 27 GLY C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -70.00 -30.00 -72.43 -86.51 -64.48 16.51 2 6 "[ + .* - 1 . * 2 **]"
21 PHI 1 28 LEU C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -70.00 -30.00 -59.66 -53.90 -55.31 . . 0 "[ . 1 . 2 .]"
22 PHI 1 36 ASP C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -140.00 -100.00 -139.98 -144.71 -147.78 15.30 7 8 "[* * . +**1 .* * - .]"
23 PHI 1 37 ALA C 1 38 ASN N 1 38 ASN CA 1 38 ASN C -140.00 -100.00 -140.66 -139.50 -139.81 17.61 20 6 "[ *. ** . + * -]"
24 PHI 1 38 ASN C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -140.00 -100.00 -105.47 -114.75 -120.20 28.25 14 4 "[ . 1 +.* *- .]"
25 PHI 1 44 GLU C 1 45 THR N 1 45 THR CA 1 45 THR C -140.00 -100.00 -113.37 -153.61 -81.93 18.07 6 5 "[* * -+ 1 . 2 * .]"
26 PHI 1 45 THR C 1 46 SER N 1 46 SER CA 1 46 SER C -140.00 -100.00 -101.40 -100.06 -100.96 12.89 7 5 "[ - . + 1 * * * 2 .]"
27 PHI 1 46 SER C 1 47 ASN N 1 47 ASN CA 1 47 ASN C -140.00 -100.00 -122.24 -119.54 -123.35 6.43 19 1 "[ . 1 . +2 .]"
28 PHI 1 47 ASN C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -140.00 -100.00 -134.60 -130.46 -131.80 1.58 9 0 "[ . 1 . 2 .]"
29 PHI 1 48 VAL C 1 49 ILE N 1 49 ILE CA 1 49 ILE C -140.00 -100.00 -128.66 -133.08 -134.03 . . 0 "[ . 1 . 2 .]"
30 PHI 1 49 ILE C 1 50 TYR N 1 50 TYR CA 1 50 TYR C -140.00 -100.00 -147.16 -148.06 -149.96 24.48 9 15 "[******* +1 * .***** -]"
31 PHI 1 50 TYR C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -140.00 -100.00 -93.60 -113.41 -70.36 29.64 5 11 "[*** + *1 * *** *2 -]"
32 PHI 1 56 GLY C 1 57 THR N 1 57 THR CA 1 57 THR C -70.00 -30.00 -60.09 -48.81 -51.44 10.52 24 2 "[ . 1 .- 2 +.]"
33 PHI 1 57 THR C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -70.00 -30.00 -64.37 -61.59 -63.49 14.18 20 2 "[ . - 1 . + .]"
34 PHI 1 58 ALA C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -70.00 -30.00 -64.29 -76.14 -51.56 6.14 2 1 "[ + . 1 . 2 .]"
35 PHI 1 59 ALA C 1 60 ILE N 1 60 ILE CA 1 60 ILE C -70.00 -30.00 -69.13 -80.11 -59.17 10.11 13 3 "[ * . 1 + . 2 -]"
36 PHI 1 60 ILE C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -70.00 -30.00 -68.49 -64.38 -64.41 13.15 8 1 "[ . + 1 . 2 .]"
37 PHI 1 61 GLN C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -70.00 -30.00 -59.39 -64.19 -66.94 . . 0 "[ . 1 . 2 .]"
38 PHI 1 62 GLU C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -70.00 -30.00 -71.40 -66.15 -66.28 34.98 7 4 "[ * . + 1 . -2* .]"
39 PHI 1 63 LYS C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -70.00 -30.00 -72.48 -59.03 -63.66 29.09 4 7 "[ *+. 1 * . * *- * .]"
40 PHI 1 64 ILE C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -70.00 -30.00 -58.28 -68.41 -49.90 . . 0 "[ . 1 . 2 .]"
41 PHI 1 65 GLU C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -70.00 -30.00 -61.98 -74.48 -49.17 4.48 8 0 "[ . 1 . 2 .]"
42 PHI 1 72 VAL C 1 73 THR N 1 73 THR CA 1 73 THR C -140.00 -100.00 -102.86 -107.45 -119.07 41.94 21 12 "[ * **** 1 * .* **+ * -]"
43 PHI 1 73 THR C 1 74 GLU N 1 74 GLU CA 1 74 GLU C -140.00 -100.00 -130.63 -103.26 -110.96 17.79 24 4 "[ . - * . 2 *+.]"
44 PHI 1 74 GLU C 1 75 LYS N 1 75 LYS CA 1 75 LYS C -140.00 -100.00 -107.51 -107.99 -114.95 12.98 18 5 "[ -. 1 * . + 2 ** .]"
45 PHI 1 75 LYS C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -140.00 -100.00 -132.09 -140.91 -144.84 30.94 14 8 "[* * * 1 **+. - 2* .]"
46 PHI 1 76 ALA C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -140.00 -100.00 -118.23 -138.83 -96.58 3.42 14 0 "[ . 1 . 2 .]"
47 PHI 1 77 GLU C 1 78 PHE N 1 78 PHE CA 1 78 PHE C -140.00 -100.00 -120.97 -126.03 -127.06 8.56 25 1 "[ . 1 . 2 +]"
48 PHI 1 78 PHE C 1 79 ASP N 1 79 ASP CA 1 79 ASP C -140.00 -100.00 -106.18 -110.24 -111.30 13.27 17 1 "[ . 1 . + 2 .]"
49 PHI 1 79 ASP C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -140.00 -100.00 -102.71 -118.95 -121.45 22.51 20 8 "[ .** **- . * *+ .]"
50 PHI 1 80 ILE C 1 81 GLU N 1 81 GLU CA 1 81 GLU C -140.00 -100.00 -79.69 -49.62 -53.01 56.64 2 19 "[*+***** *-* **** ** ***]"
51 PHI 1 83 MET C 1 84 THR N 1 84 THR CA 1 84 THR C -140.00 -100.00 -124.48 -72.38 -102.78 35.13 13 6 "[ * . * 1- +*. 2 *]"
52 PHI 1 86 ALA C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -70.00 -30.00 -62.32 -63.93 -64.56 0.30 12 0 "[ . 1 . 2 .]"
53 PHI 1 87 ALA C 1 88 CYS N 1 88 CYS CA 1 88 CYS C -70.00 -30.00 -74.02 -89.25 -66.92 19.25 21 8 "[ * * 1 * . -2+***.]"
54 PHI 1 88 CYS C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -70.00 -30.00 -59.66 -66.81 -53.37 . . 0 "[ . 1 . 2 .]"
55 PHI 1 89 ALA C 1 90 ASN N 1 90 ASN CA 1 90 ASN C -70.00 -30.00 -58.04 -68.45 -48.24 . . 0 "[ . 1 . 2 .]"
56 PHI 1 90 ASN C 1 91 ARG N 1 91 ARG CA 1 91 ARG C -70.00 -30.00 -57.86 -71.11 -43.15 1.11 25 0 "[ . 1 . 2 .]"
57 PHI 1 91 ARG C 1 92 ILE N 1 92 ILE CA 1 92 ILE C -70.00 -30.00 -84.91 -75.08 -77.70 26.80 16 23 "[* *********-***+* *******]"
58 PHI 1 92 ILE C 1 93 GLU N 1 93 GLU CA 1 93 GLU C -70.00 -30.00 -51.39 -53.33 -54.00 . . 0 "[ . 1 . 2 .]"
59 PHI 1 93 GLU C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -70.00 -30.00 -58.45 -62.31 -65.96 . . 0 "[ . 1 . 2 .]"
60 PHI 1 94 LYS C 1 95 ARG N 1 95 ARG CA 1 95 ARG C -70.00 -30.00 -96.49 -104.21 -111.46 49.92 1 25 [+******-*****************]
61 PHI 1 95 ARG C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -70.00 -30.00 -54.76 -67.68 -43.04 . . 0 "[ . 1 . 2 .]"
62 PHI 1 96 LEU C 1 97 ASN N 1 97 ASN CA 1 97 ASN C -70.00 -30.00 -45.18 -45.04 -46.63 3.18 10 0 "[ . 1 . 2 .]"
63 PHI 1 112 GLU C 1 113 THR N 1 113 THR CA 1 113 THR C -140.00 -100.00 -114.91 -129.34 -133.69 5.23 4 1 "[ +. 1 . 2 .]"
64 PHI 1 113 THR C 1 114 VAL N 1 114 VAL CA 1 114 VAL C -140.00 -100.00 -138.89 -151.90 -87.01 12.99 17 4 "[ . 1 .-+ 2* * .]"
65 PHI 1 114 VAL C 1 115 THR N 1 115 THR CA 1 115 THR C -140.00 -100.00 -99.04 -119.78 -83.31 16.69 8 6 "[* *.* + 1 .- 2 *]"
66 PHI 1 116 VAL C 1 117 GLU N 1 117 GLU CA 1 117 GLU C -140.00 -100.00 -117.37 -139.85 -87.45 12.55 13 3 "[ . 1 +*. 2 - .]"
67 PHI 1 117 GLU C 1 118 TYR N 1 118 TYR CA 1 118 TYR C -140.00 -100.00 -159.42 -173.77 -141.39 33.77 15 24 "[-************ +**********]"
68 PHI 1 118 TYR C 1 119 ASN N 1 119 ASN CA 1 119 ASN C -140.00 -100.00 -95.46 -79.52 -82.85 20.48 2 10 "[ + *- 1* ** ***2 * .]"
69 PHI 1 124 SER C 1 125 VAL N 1 125 VAL CA 1 125 VAL C -70.00 -30.00 -62.69 -70.67 -52.52 0.67 8 0 "[ . 1 . 2 .]"
70 PHI 1 125 VAL C 1 126 SER N 1 126 SER CA 1 126 SER C -70.00 -30.00 -61.10 -57.90 -58.99 0.96 17 0 "[ . 1 . 2 .]"
71 PHI 1 126 SER C 1 127 ASP N 1 127 ASP CA 1 127 ASP C -70.00 -30.00 -64.85 -56.46 -57.99 2.96 5 0 "[ . 1 . 2 .]"
72 PHI 1 127 ASP C 1 128 LEU N 1 128 LEU CA 1 128 LEU C -70.00 -30.00 -65.59 -74.21 -58.43 4.21 7 0 "[ . 1 . 2 .]"
73 PHI 1 128 LEU C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -70.00 -30.00 -57.71 -64.41 -49.10 . . 0 "[ . 1 . 2 .]"
74 PHI 1 129 LYS C 1 130 GLU N 1 130 GLU CA 1 130 GLU C -70.00 -30.00 -63.34 -79.33 -53.27 9.33 15 1 "[ . 1 + 2 .]"
75 PHI 1 130 GLU C 1 131 ALA N 1 131 ALA CA 1 131 ALA C -70.00 -30.00 -71.71 -85.78 -60.94 15.78 13 7 "[ . ***- +*. * 2 .]"
76 PHI 1 131 ALA C 1 132 VAL N 1 132 VAL CA 1 132 VAL C -70.00 -30.00 -83.17 -81.26 -84.37 37.12 12 15 "[* **-** *1*+* . * ** **.]"
77 PHI 1 132 VAL C 1 133 ASP N 1 133 ASP CA 1 133 ASP C -70.00 -30.00 -56.63 -52.94 -55.24 0.26 20 0 "[ . 1 . 2 .]"
78 PHI 1 133 ASP C 1 134 LYS N 1 134 LYS CA 1 134 LYS C -70.00 -30.00 -65.08 -76.29 -53.85 6.29 22 2 "[ . 1 .- 2 + .]"
79 PHI 1 136 GLY C 1 137 TYR N 1 137 TYR CA 1 137 TYR C -140.00 -100.00 -105.17 -138.61 -73.94 26.06 3 9 "[* +** * * .* *- .]"
80 PHI 1 137 TYR C 1 138 LYS N 1 138 LYS CA 1 138 LYS C -140.00 -100.00 -140.97 -140.65 -140.98 17.23 23 7 "[ . ***1* . -2* + .]"
81 PHI 1 138 LYS C 1 139 LEU N 1 139 LEU CA 1 139 LEU C -140.00 -100.00 -111.78 -130.95 -94.74 5.26 23 1 "[ . 1 . 2 + .]"
82 PSI 1 5 GLN N 1 5 GLN CA 1 5 GLN C 1 6 LYS N 60.00 180.00 144.01 120.63 115.74 . . 0 "[ . 1 . 2 .]"
83 PSI 1 6 LYS N 1 6 LYS CA 1 6 LYS C 1 7 GLU N 60.00 180.00 155.48 156.25 151.81 . . 0 "[ . 1 . 2 .]"
84 PSI 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 ILE N 60.00 180.00 152.47 122.89 168.69 . . 0 "[ . 1 . 2 .]"
85 PSI 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 ALA N 60.00 180.00 151.95 142.85 164.70 . . 0 "[ . 1 . 2 .]"
86 PSI 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 MET N 60.00 180.00 144.62 106.18 165.46 . . 0 "[ . 1 . 2 .]"
87 PSI 1 10 MET N 1 10 MET CA 1 10 MET C 1 11 GLN N 60.00 180.00 150.79 132.07 173.06 . . 0 "[ . 1 . 2 .]"
88 PSI 1 11 GLN N 1 11 GLN CA 1 11 GLN C 1 12 VAL N 60.00 180.00 140.81 151.52 147.85 . . 0 "[ . 1 . 2 .]"
89 PSI 1 12 VAL N 1 12 VAL CA 1 12 VAL C 1 13 SER N 60.00 180.00 129.99 139.83 136.25 . . 0 "[ . 1 . 2 .]"
90 PSI 1 14 GLY N 1 14 GLY CA 1 14 GLY C 1 15 MET N 60.00 180.00 12.30 7.67 5.06 73.68 22 25 [*********************+-**]
91 PSI 1 15 MET N 1 15 MET CA 1 15 MET C 1 16 THR N 60.00 180.00 34.07 -5.18 145.79 65.18 7 18 "[ *-* +*** ****** * ****]"
92 PSI 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 CYS N 60.00 180.00 47.34 12.82 8.46 78.41 17 11 "[*** . *** * * + 2 -*]"
93 PSI 1 20 CYS N 1 20 CYS CA 1 20 CYS C 1 21 ALA N -60.00 -20.00 -43.17 -52.02 -29.78 . . 0 "[ . 1 . 2 .]"
94 PSI 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 ALA N -60.00 -20.00 -52.37 -64.22 -43.10 4.22 22 0 "[ . 1 . 2 .]"
95 PSI 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 ARG N -60.00 -20.00 -38.27 -47.11 -52.54 0.93 24 0 "[ . 1 . 2 .]"
96 PSI 1 23 ARG N 1 23 ARG CA 1 23 ARG C 1 24 ILE N -60.00 -20.00 -36.65 -48.48 -20.71 . . 0 "[ . 1 . 2 .]"
97 PSI 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 GLU N -60.00 -20.00 -51.48 -58.14 -42.47 . . 0 "[ . 1 . 2 .]"
98 PSI 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 LYS N -60.00 -20.00 -48.90 -56.93 -40.84 . . 0 "[ . 1 . 2 .]"
99 PSI 1 26 LYS N 1 26 LYS CA 1 26 LYS C 1 27 GLY N -60.00 -20.00 -29.41 -51.39 -7.56 12.44 11 3 "[ - . 1+ . * .]"
100 PSI 1 27 GLY N 1 27 GLY CA 1 27 GLY C 1 28 LEU N -60.00 -20.00 -45.32 -39.10 -42.37 0.30 20 0 "[ . 1 . 2 .]"
101 PSI 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 LYS N -60.00 -20.00 -43.14 -60.04 -24.64 0.04 14 0 "[ . 1 . 2 .]"
102 PSI 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 ARG N -60.00 -20.00 -12.13 -29.17 15.63 35.63 3 16 "[* + . ******* * *-**** .]"
103 PSI 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 ASN N 60.00 180.00 136.75 126.49 154.01 . . 0 "[ . 1 . 2 .]"
104 PSI 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 VAL N 60.00 180.00 124.16 98.61 164.60 . . 0 "[ . 1 . 2 .]"
105 PSI 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 ASN N 60.00 180.00 127.24 127.91 126.41 . . 0 "[ . 1 . 2 .]"
106 PSI 1 45 THR N 1 45 THR CA 1 45 THR C 1 46 SER N 60.00 180.00 130.22 127.90 123.34 . . 0 "[ . 1 . 2 .]"
107 PSI 1 46 SER N 1 46 SER CA 1 46 SER C 1 47 ASN N 60.00 180.00 132.77 133.30 132.86 . . 0 "[ . 1 . 2 .]"
108 PSI 1 47 ASN N 1 47 ASN CA 1 47 ASN C 1 48 VAL N 60.00 180.00 125.49 117.04 112.23 . . 0 "[ . 1 . 2 .]"
109 PSI 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 ILE N 60.00 180.00 143.51 132.90 159.96 . . 0 "[ . 1 . 2 .]"
110 PSI 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 TYR N 60.00 180.00 125.63 126.64 125.82 . . 0 "[ . 1 . 2 .]"
111 PSI 1 50 TYR N 1 50 TYR CA 1 50 TYR C 1 51 ASP N 60.00 180.00 162.46 156.78 154.64 . . 0 "[ . 1 . 2 .]"
112 PSI 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 PRO N 60.00 180.00 122.17 117.08 116.26 . . 0 "[ . 1 . 2 .]"
113 PSI 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 ALA N -60.00 -20.00 -41.95 -62.97 -19.45 2.97 14 0 "[ . 1 . 2 .]"
114 PSI 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 ALA N -60.00 -20.00 -28.50 -16.96 -19.32 5.06 2 1 "[ + . 1 . 2 .]"
115 PSI 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 ILE N -60.00 -20.00 -25.04 -19.74 -21.00 1.96 22 0 "[ . 1 . 2 .]"
116 PSI 1 60 ILE N 1 60 ILE CA 1 60 ILE C 1 61 GLN N -60.00 -20.00 -48.97 -59.99 -33.20 . . 0 "[ . 1 . 2 .]"
117 PSI 1 61 GLN N 1 61 GLN CA 1 61 GLN C 1 62 GLU N -60.00 -20.00 -36.50 -29.86 -31.23 . . 0 "[ . 1 . 2 .]"
118 PSI 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 LYS N -60.00 -20.00 -41.09 -52.55 -15.28 4.72 7 0 "[ . 1 . 2 .]"
119 PSI 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 ILE N -60.00 -20.00 -24.80 -40.97 -0.96 19.04 21 4 "[ . 1 * . *-+ .]"
120 PSI 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 GLU N -60.00 -20.00 -50.32 -47.64 -48.36 . . 0 "[ . 1 . 2 .]"
121 PSI 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 LYS N -60.00 -20.00 -35.36 -38.05 -39.10 1.78 6 0 "[ . 1 . 2 .]"
122 PSI 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 LEU N -60.00 -20.00 -15.49 -37.57 0.82 20.82 8 13 "[* * + 1- * * *******.]"
123 PSI 1 73 THR N 1 73 THR CA 1 73 THR C 1 74 GLU N 60.00 180.00 141.82 112.10 166.83 . . 0 "[ . 1 . 2 .]"
124 PSI 1 74 GLU N 1 74 GLU CA 1 74 GLU C 1 75 LYS N 60.00 180.00 157.27 137.61 -174.20 5.80 23 1 "[ . 1 . 2 + .]"
125 PSI 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1 76 ALA N 60.00 180.00 137.35 61.42 155.08 . . 0 "[ . 1 . 2 .]"
126 PSI 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 GLU N 60.00 180.00 154.71 135.93 168.50 . . 0 "[ . 1 . 2 .]"
127 PSI 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 PHE N 60.00 180.00 132.94 110.64 151.63 . . 0 "[ . 1 . 2 .]"
128 PSI 1 78 PHE N 1 78 PHE CA 1 78 PHE C 1 79 ASP N 60.00 180.00 153.52 150.93 148.08 . . 0 "[ . 1 . 2 .]"
129 PSI 1 79 ASP N 1 79 ASP CA 1 79 ASP C 1 80 ILE N 60.00 180.00 130.52 132.66 130.47 . . 0 "[ . 1 . 2 .]"
130 PSI 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 GLU N 60.00 180.00 88.41 51.11 177.37 8.89 14 1 "[ . 1 +. 2 .]"
131 PSI 1 83 MET N 1 83 MET CA 1 83 MET C 1 84 THR N 60.00 180.00 131.00 42.72 160.86 17.28 14 1 "[ . 1 +. 2 .]"
132 PSI 1 84 THR N 1 84 THR CA 1 84 THR C 1 85 CYS N 60.00 180.00 3.33 4.03 -0.01 106.09 21 25 [*-******************+****]
133 PSI 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 CYS N -60.00 -20.00 -32.41 -41.84 -14.86 5.14 4 1 "[ +. 1 . 2 .]"
134 PSI 1 88 CYS N 1 88 CYS CA 1 88 CYS C 1 89 ALA N -60.00 -20.00 -39.86 -43.10 -44.85 . . 0 "[ . 1 . 2 .]"
135 PSI 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 ASN N -60.00 -20.00 -54.22 -54.06 -54.52 . . 0 "[ . 1 . 2 .]"
136 PSI 1 90 ASN N 1 90 ASN CA 1 90 ASN C 1 91 ARG N -60.00 -20.00 -36.11 -45.51 -28.17 . . 0 "[ . 1 . 2 .]"
137 PSI 1 91 ARG N 1 91 ARG CA 1 91 ARG C 1 92 ILE N -60.00 -20.00 -38.16 -42.36 -44.85 . . 0 "[ . 1 . 2 .]"
138 PSI 1 92 ILE N 1 92 ILE CA 1 92 ILE C 1 93 GLU N -60.00 -20.00 -37.61 -46.56 -28.98 . . 0 "[ . 1 . 2 .]"
139 PSI 1 93 GLU N 1 93 GLU CA 1 93 GLU C 1 94 LYS N -60.00 -20.00 -47.90 -43.30 -44.74 . . 0 "[ . 1 . 2 .]"
140 PSI 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 ARG N -60.00 -20.00 -20.87 -36.39 11.71 31.71 1 4 "[+ * 1 - * 2 .]"
141 PSI 1 95 ARG N 1 95 ARG CA 1 95 ARG C 1 96 LEU N -60.00 -20.00 -46.05 -42.79 -43.99 3.24 5 0 "[ . 1 . 2 .]"
142 PSI 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 ASN N -60.00 -20.00 -40.62 -36.76 -36.92 . . 0 "[ . 1 . 2 .]"
143 PSI 1 97 ASN N 1 97 ASN CA 1 97 ASN C 1 98 LYS N -60.00 -20.00 -39.23 -31.77 -38.04 58.30 22 3 "[ . 1 .* 2-+ .]"
144 PSI 1 113 THR N 1 113 THR CA 1 113 THR C 1 114 VAL N 60.00 180.00 167.17 170.71 168.18 0.30 24 0 "[ . 1 . 2 .]"
145 PSI 1 114 VAL N 1 114 VAL CA 1 114 VAL C 1 115 THR N 60.00 180.00 138.05 140.56 138.83 . . 0 "[ . 1 . 2 .]"
146 PSI 1 115 THR N 1 115 THR CA 1 115 THR C 1 116 VAL N 60.00 180.00 125.45 123.46 120.56 . . 0 "[ . 1 . 2 .]"
147 PSI 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 GLU N 60.00 180.00 133.13 133.34 127.16 . . 0 "[ . 1 . 2 .]"
148 PSI 1 117 GLU N 1 117 GLU CA 1 117 GLU C 1 118 TYR N 60.00 180.00 119.97 122.46 121.56 . . 0 "[ . 1 . 2 .]"
149 PSI 1 118 TYR N 1 118 TYR CA 1 118 TYR C 1 119 ASN N 60.00 180.00 167.49 147.01 -175.37 4.63 7 0 "[ . 1 . 2 .]"
150 PSI 1 119 ASN N 1 119 ASN CA 1 119 ASN C 1 120 PRO N 60.00 180.00 116.55 97.07 147.92 . . 0 "[ . 1 . 2 .]"
151 PSI 1 123 ALA N 1 123 ALA CA 1 123 ALA C 1 124 SER N 60.00 180.00 155.70 127.08 -155.24 24.76 23 1 "[ . 1 . 2 + .]"
152 PSI 1 125 VAL N 1 125 VAL CA 1 125 VAL C 1 126 SER N -60.00 -20.00 -22.36 -26.04 -27.79 6.93 23 2 "[ . 1 . 2 + -]"
153 PSI 1 126 SER N 1 126 SER CA 1 126 SER C 1 127 ASP N -60.00 -20.00 -49.19 -60.58 -38.28 0.58 7 0 "[ . 1 . 2 .]"
154 PSI 1 127 ASP N 1 127 ASP CA 1 127 ASP C 1 128 LEU N -60.00 -20.00 -40.39 -48.61 -31.75 . . 0 "[ . 1 . 2 .]"
155 PSI 1 128 LEU N 1 128 LEU CA 1 128 LEU C 1 129 LYS N -60.00 -20.00 -47.78 -61.81 -37.43 1.81 18 0 "[ . 1 . 2 .]"
156 PSI 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 GLU N -60.00 -20.00 -50.91 -54.09 -57.50 0.42 6 0 "[ . 1 . 2 .]"
157 PSI 1 130 GLU N 1 130 GLU CA 1 130 GLU C 1 131 ALA N -60.00 -20.00 -29.28 -28.93 -29.36 18.79 13 3 "[ . * + - 2 .]"
158 PSI 1 131 ALA N 1 131 ALA CA 1 131 ALA C 1 132 VAL N -60.00 -20.00 -37.99 -53.32 -21.33 . . 0 "[ . 1 . 2 .]"
159 PSI 1 132 VAL N 1 132 VAL CA 1 132 VAL C 1 133 ASP N -60.00 -20.00 -28.21 -31.09 -32.31 . . 0 "[ . 1 . 2 .]"
160 PSI 1 133 ASP N 1 133 ASP CA 1 133 ASP C 1 134 LYS N -60.00 -20.00 -39.83 -53.54 -26.72 . . 0 "[ . 1 . 2 .]"
161 PSI 1 134 LYS N 1 134 LYS CA 1 134 LYS C 1 135 LEU N -60.00 -20.00 -25.25 -34.87 -11.77 8.23 12 2 "[ . -1 + . 2 .]"
162 PSI 1 137 TYR N 1 137 TYR CA 1 137 TYR C 1 138 LYS N 60.00 180.00 -165.43 -145.39 -151.83 39.15 21 20 "[** *-***1***** ****+** *]"
163 PSI 1 138 LYS N 1 138 LYS CA 1 138 LYS C 1 139 LEU N 60.00 180.00 163.00 -179.84 173.26 13.03 21 1 "[ . 1 . 2+ .]"
164 PSI 1 139 LEU N 1 139 LEU CA 1 139 LEU C 1 140 LYS N 60.00 180.00 118.28 87.91 146.57 . . 0 "[ . 1 . 2 .]"
165 PSI 1 140 LYS N 1 140 LYS CA 1 140 LYS C 1 141 LEU N 60.00 180.00 150.42 108.94 -179.63 0.37 25 0 "[ . 1 . 2 .]"
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