Torsion angle file
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Torsion angle files are used by CYANA to store conformations in a more compact way than by storing Cartesian coordinates. The format used is: (I3,1X,A5,4(1X,A5,F9.3)) corresponding to the residue number and residue name, and up to four torsion angle names and values (in degrees).
As it is shown in the following example output torsion angle file from CYANA, the residue number and name need not to be repeated on each data line if the line corresponds to the same residue as the previous one:
# Structure from CYANA, f = 0.00000E+00
1 GLY PHI 102.808 PSI 95.577
2 SER PHI -133.944 CHI1 178.702 CHI2 81.631 PSI 74.793
3 SER PHI -116.114 CHI1 -155.802 CHI2 27.416 PSI 118.271
4 GLY PHI -150.477 PSI -54.688
5 SER PHI -56.335 CHI1 80.232 CHI2 153.775 PSI 133.641
6 SER PHI -116.918 CHI1 -167.812 CHI2 176.094 PSI 44.709
7 GLY PHI -167.688 PSI 110.620
8 GLU PHI -126.658 CHI1 45.024 CHI2 65.452 CHI3 69.213
PSI 22.872
9 VAL PHI -90.173 CHI1 178.881 CHI21 166.452 CHI22 -167.865
PSI -55.423
10 GLN PHI -61.127 CHI1 -59.915 CHI2 155.274 CHI3 58.288
PSI -19.073
11 LYS PHI -51.534 CHI1 -82.254 CHI2 -68.993 CHI3 -175.259
CHI4 -73.712 CHI5 -168.470 PSI 159.126
12 PRO PSI 179.482
13 LEU PHI -75.725 CHI1 163.187 CHI2 147.283 CHI31 146.750
CHI32 -21.236 PSI -17.538
14 HIS PHI -93.276 CHI1 66.033 CHI2 -109.759 PSI 19.350
15 GLU PHI -141.359 CHI1 -88.284 CHI2 -145.104 CHI3 65.916
PSI 22.166
16 GLN PHI -97.947 CHI1 -55.334 CHI2 -86.092 CHI3 -44.010
PSI -171.238
17 LEU PHI -120.099 CHI1 67.059 CHI2 157.728 CHI31 -32.457
CHI32 -24.157 PSI -0.147
18 TRP PHI -116.901 CHI1 40.780 CHI2 -106.970 PSI 4.491
19 TYR PHI -91.650 CHI1 171.213 CHI2 -124.343 CHI6 -30.238
PSI 85.623
20 HIS PHI -58.842 CHI1 -64.393 CHI2 -91.571 PSI -44.301
21 GLY PHI 111.140 PSI -155.005
22 ALA PHI -75.246 CHI1 -178.778 PSI 85.829
23 ILE PHI -112.194 CHI1 47.084 CHI22 179.310 CHI21 164.785
CHI31 -118.018 PSI 155.482
24 PRO PSI 149.602
25 ARG PHI -57.920 CHI1 56.055 CHI2 155.732 CHI3 84.427
CHI4 72.477 PSI -26.601
26 ALA PHI -71.475 CHI1 -135.496 PSI -25.165
27 GLU PHI -86.295 CHI1 -88.781 CHI2 -177.406 CHI3 -121.195
PSI -25.968
28 VAL PHI -52.854 CHI1 178.444 CHI21 34.367 CHI22 -177.634
PSI -44.517
29 ALA PHI -73.632 CHI1 15.105 PSI -23.727
30 GLU PHI -68.722 CHI1 -57.757 CHI2 -82.698 CHI3 -15.306
PSI -27.202
31 LEU PHI -84.464 CHI1 -46.860 CHI2 159.694 CHI31 -87.782
CHI32 -30.389 PSI -38.148
32 LEU PHI -82.118 CHI1 -82.070 CHI2 59.637 CHI31 -97.529
CHI32 -68.087 PSI 131.345
33 VAL PHI -131.196 CHI1 -172.813 CHI21 -143.552 CHI22 -25.402
PSI -49.032
34 HIS PHI -110.269 CHI1 -46.941 CHI2 139.177 PSI 152.535
35 SER PHI -61.509 CHI1 67.186 CHI2 -162.104 PSI 140.556
36 GLY PHI 97.852 PSI -4.537
37 ASP PHI -92.402 CHI1 -49.299 CHI2 159.518 PSI 111.462
38 PHE PHI -114.766 CHI1 75.855 CHI2 -82.143 PSI 169.122
39 LEU PHI -164.901 CHI1 77.382 CHI2 -45.573 CHI31 -161.343
CHI32 -96.785 PSI 166.882
40 VAL PHI -121.375 CHI1 177.430 CHI21 27.769 CHI22 -157.345
PSI 133.258
41 ARG PHI -141.611 CHI1 44.811 CHI2 128.094 CHI3 -159.078
CHI4 159.941 PSI 128.344
42 GLU PHI -57.282 CHI1 -178.649 CHI2 175.474 CHI3 -114.179
PSI 123.998
43 SER PHI -56.811 CHI1 174.245 CHI2 88.236 PSI 135.734
44 GLN PHI -63.411 CHI1 -164.672 CHI2 -169.447 CHI3 27.082
PSI 110.562
45 GLY PHI 95.114 PSI -55.734
46 LYS PHI -83.568 CHI1 179.313 CHI2 63.659 CHI3 63.330
CHI4 156.985 CHI5 88.045 PSI 148.415
47 GLN PHI -89.235 CHI1 56.479 CHI2 157.651 CHI3 -71.406
PSI 50.003
48 GLU PHI -122.385 CHI1 -162.590 CHI2 71.806 CHI3 -81.739
PSI 138.143
49 TYR PHI -91.664 CHI1 -54.519 CHI2 -58.910 CHI6 173.084
PSI 144.533
50 VAL PHI -119.813 CHI1 178.423 CHI21 32.381 CHI22 -27.774
PSI 133.307
51 LEU PHI -97.467 CHI1 -154.784 CHI2 59.734 CHI31 38.226
CHI32 -31.852 PSI 71.455
52 SER PHI -68.400 CHI1 152.054 CHI2 -77.058 PSI 125.609
53 VAL PHI -145.458 CHI1 41.637 CHI21 137.844 CHI22 27.183
PSI 134.455
54 LEU PHI -82.226 CHI1 171.998 CHI2 68.441 CHI31 -178.121
CHI32 -146.528 PSI 140.882
55 TRP PHI -155.366 CHI1 -166.510 CHI2 -97.240 PSI 114.871
56 ASP PHI 51.811 CHI1 -44.559 CHI2 -24.841 PSI 56.729
57 GLY PHI 52.482 PSI 51.908
58 LEU PHI -161.643 CHI1 -130.716 CHI2 62.659 CHI31 -178.982
CHI32 -17.673 PSI 89.567
59 PRO PSI 84.164
60 ARG PHI -68.659 CHI1 -52.639 CHI2 -77.530 CHI3 -118.790
CHI4 -69.121 PSI 163.475
61 HIS PHI -123.107 CHI1 -84.993 CHI2 -72.478 PSI 79.662
62 PHE PHI -71.611 CHI1 -61.864 CHI2 -83.816 PSI 81.743
63 ILE PHI -63.132 CHI1 -56.352 CHI22 51.225 CHI21 175.113
CHI31 -145.088 PSI 121.929
64 ILE PHI -70.844 CHI1 -58.341 CHI22 -66.982 CHI21 161.227
CHI31 -119.790 PSI 127.570
65 GLN PHI -89.122 CHI1 -70.426 CHI2 -59.087 CHI3 -70.547
PSI 130.247
66 SER PHI -107.491 CHI1 89.120 CHI2 -71.607 PSI 128.856
67 LEU PHI -172.486 CHI1 -150.714 CHI2 153.373 CHI31 -62.695
CHI32 -9.931 PSI 149.869
68 ASP PHI 53.480 CHI1 -80.568 CHI2 2.233 PSI 31.946
69 ASN PHI 58.008 CHI1 -37.725 CHI2 98.744 PSI 27.945
70 LEU PHI -133.238 CHI1 -96.710 CHI2 87.722 CHI31 45.426
CHI32 124.838 PSI 151.680
71 TYR PHI -109.297 CHI1 -62.939 CHI2 104.697 CHI6 -36.354
PSI 112.914
72 ARG PHI -139.363 CHI1 73.892 CHI2 -147.226 CHI3 -165.431
CHI4 177.414 PSI 147.453
73 LEU PHI -111.766 CHI1 -91.143 CHI2 166.415 CHI31 110.313
CHI32 -149.748 PSI -66.943
74 GLU PHI -149.235 CHI1 -82.346 CHI2 84.138 CHI3 38.854
PSI 27.122
75 GLY PHI -146.661 PSI -99.767
76 GLU PHI -117.340 CHI1 -95.674 CHI2 161.131 CHI3 63.105
PSI 149.854
77 GLY PHI -99.728 PSI 150.227
78 PHE PHI -126.417 CHI1 -83.764 CHI2 -94.300 PSI 159.003
79 PRO PSI -10.771
80 SER PHI -145.277 CHI1 3.174 CHI2 -152.954 PSI 159.604
81 ILE PHI -65.625 CHI1 -83.447 CHI22 156.807 CHI21 -67.260
CHI31 64.070 PSI -54.051
82 PRO PSI -8.350
83 LEU PHI -84.749 CHI1 -117.228 CHI2 -51.918 CHI31 -41.224
CHI32 -106.567 PSI -12.932
84 LEU PHI -105.741 CHI1 161.927 CHI2 49.768 CHI31 -109.141
CHI32 45.767 PSI -37.857
85 ILE PHI -58.619 CHI1 -60.577 CHI22 -60.009 CHI21 -57.794
CHI31 -176.069 PSI -30.071
86 ASP PHI -72.228 CHI1 171.405 CHI2 -114.342 PSI -22.714
87 HIS PHI -72.136 CHI1 177.378 CHI2 76.452 PSI -55.887
88 LEU PHI -64.286 CHI1 -100.615 CHI2 69.343 CHI31 -0.684
CHI32 -67.191 PSI -25.215
89 LEU PHI -81.596 CHI1 -99.163 CHI2 176.465 CHI31 -89.731
CHI32 -101.269 PSI -37.397
90 SER PHI -78.984 CHI1 -171.670 CHI2 -104.885 PSI -31.824
91 THR PHI -95.026 CHI1 62.775 CHI21 -26.565 CHI22 -149.378
PSI -19.645
92 GLN PHI 54.679 CHI1 -64.466 CHI2 -85.870 CHI3 -84.692
PSI 53.227
93 GLN PHI -105.968 CHI1 56.687 CHI2 -168.253 CHI3 -128.644
PSI 153.534
94 PRO PSI 123.907
95 LEU PHI -50.322 CHI1 -66.158 CHI2 130.705 CHI31 -100.286
CHI32 20.188 PSI -35.146
96 THR PHI -148.030 CHI1 66.219 CHI21 173.168 CHI22 -177.204
PSI 138.480
97 LYS PHI -62.227 CHI1 -73.122 CHI2 -67.897 CHI3 179.181
CHI4 160.909 CHI5 112.759 PSI -19.444
98 LYS PHI -80.056 CHI1 -159.354 CHI2 -78.268 CHI3 -168.741
CHI4 -57.843 CHI5 -47.427 PSI -68.047
99 SER PHI -62.064 CHI1 80.005 CHI2 -151.859 PSI -45.714
100 GLY PHI 82.339 PSI 2.439
101 VAL PHI -65.662 CHI1 178.690 CHI21 168.324 CHI22 101.856
PSI 140.734
102 VAL PHI -125.325 CHI1 -150.724 CHI21 -10.025 CHI22 -55.411
PSI 153.185
103 LEU PHI -88.125 CHI1 -96.345 CHI2 76.612 CHI31 -166.991
CHI32 37.983 PSI 103.257
104 HIS PHI -79.811 CHI1 -148.755 CHI2 -24.165 PSI -55.265
105 ARG PHI -160.985 CHI1 -171.584 CHI2 -174.711 CHI3 -163.199
CHI4 165.389 PSI 149.289
106 ALA PHI -85.938 CHI1 94.919 PSI 132.090
107 VAL PHI -64.576 CHI1 -179.607 CHI21 -54.149 CHI22 -53.991
PSI 133.346
108 PRO PSI 142.880
109 SER PHI -112.175 CHI1 169.882 CHI2 39.729 PSI -31.618
110 GLY PHI 109.141 PSI 176.187
111 PRO PSI 147.507
112 SER PHI -126.949 CHI1 -67.845 CHI2 -45.918 PSI 126.812
113 SER PHI -65.403 CHI1 -71.973 CHI2 72.793 PSI 154.746
114 GLY PHI 111.313 PSI 10.944
# Structure from CYANA, f = 0.00000E+00
1 GLY PHI -40.474 PSI 94.845
2 SER PHI -136.010 CHI1 50.692 CHI2 48.404 PSI 152.383
3 SER PHI -141.713 CHI1 -71.923 CHI2 -50.496 PSI 155.152
4 GLY PHI 95.881 PSI 108.814
5 SER PHI -78.476 CHI1 -87.966 CHI2 132.566 PSI 165.351
6 SER PHI -170.439 CHI1 67.028 CHI2 -175.119 PSI 171.000
7 GLY PHI -73.288 PSI 143.356
8 GLU PHI -107.480 CHI1 -156.338 CHI2 75.868 CHI3 53.852
PSI -27.626
9 VAL PHI -77.087 CHI1 64.830 CHI21 -20.946 CHI22 25.872
PSI -31.670
10 GLN PHI -77.252 CHI1 -61.011 CHI2 -165.459 CHI3 91.761
PSI -19.408
11 LYS PHI -54.103 CHI1 -84.040 CHI2 -99.242 CHI3 -168.839
CHI4 84.449 CHI5 71.720 PSI 159.563
12 PRO PSI 175.996
13 LEU PHI -77.989 CHI1 159.937 CHI2 147.841 CHI31 150.663
CHI32 -27.495 PSI -18.773
14 HIS PHI -93.781 CHI1 51.296 CHI2 80.037 PSI 26.160
15 GLU PHI -149.637 CHI1 -78.020 CHI2 -132.745 CHI3 154.748
PSI 20.391
16 GLN PHI -94.048 CHI1 -55.701 CHI2 -88.103 CHI3 -36.893
PSI -171.374
17 LEU PHI -115.572 CHI1 52.297 CHI2 79.586 CHI31 -81.376
CHI32 -6.011 PSI -0.180
18 TRP PHI -118.675 CHI1 40.784 CHI2 -106.603 PSI 0.104
19 TYR PHI -88.399 CHI1 170.954 CHI2 56.658 CHI6 -81.781
PSI 86.619
20 HIS PHI -63.357 CHI1 -57.105 CHI2 -100.171 PSI -41.439
21 GLY PHI 107.999 PSI -158.571
22 ALA PHI -72.898 CHI1 -158.330 PSI 85.841
23 ILE PHI -111.981 CHI1 46.903 CHI22 -65.968 CHI21 168.468
CHI31 172.515 PSI 155.494
24 PRO PSI 147.828
25 ARG PHI -56.450 CHI1 59.140 CHI2 172.217 CHI3 -80.557
CHI4 -173.542 PSI -25.365
26 ALA PHI -72.914 CHI1 86.722 PSI -24.698
27 GLU PHI -86.827 CHI1 -89.129 CHI2 -79.372 CHI3 -159.987
PSI -22.228
28 VAL PHI -56.700 CHI1 178.440 CHI21 22.643 CHI22 -57.665
PSI -48.899
29 ALA PHI -67.205 CHI1 1.713 PSI -23.622
30 GLU PHI -69.501 CHI1 -54.266 CHI2 -80.492 CHI3 -1.364
PSI -33.643
31 LEU PHI -79.476 CHI1 -47.441 CHI2 157.962 CHI31 156.731
CHI32 -26.065 PSI -33.889
32 LEU PHI -86.600 CHI1 -81.894 CHI2 58.485 CHI31 -60.236
CHI32 -71.334 PSI 122.131
33 VAL PHI -118.783 CHI1 -172.658 CHI21 55.142 CHI22 59.919
PSI -51.100
34 HIS PHI -109.691 CHI1 -48.745 CHI2 -51.638 PSI 141.598
35 SER PHI -53.153 CHI1 47.993 CHI2 133.918 PSI 140.513
36 GLY PHI 103.285 PSI -17.591
37 ASP PHI -81.766 CHI1 -55.371 CHI2 160.444 PSI 114.787
38 PHE PHI -112.896 CHI1 76.582 CHI2 -83.541 PSI 168.585
39 LEU PHI -163.769 CHI1 77.781 CHI2 -45.160 CHI31 -40.068
CHI32 143.368 PSI 167.003
40 VAL PHI -117.649 CHI1 178.292 CHI21 24.989 CHI22 -154.881
PSI 141.019
41 ARG PHI -147.662 CHI1 74.053 CHI2 -155.893 CHI3 -169.751
CHI4 74.110 PSI 134.538
42 GLU PHI -70.216 CHI1 -178.177 CHI2 169.221 CHI3 167.576
PSI 120.705
43 SER PHI -52.564 CHI1 -170.748 CHI2 129.849 PSI 164.169
44 GLN PHI -90.805 CHI1 -175.845 CHI2 70.517 CHI3 -82.598
PSI -66.380
45 GLY PHI -57.032 PSI -22.997
46 LYS PHI -140.797 CHI1 -58.329 CHI2 -175.958 CHI3 -164.262
CHI4 -171.942 CHI5 -108.837 PSI 176.616
47 GLN PHI -101.663 CHI1 62.473 CHI2 -168.795 CHI3 6.160
PSI 34.017
48 GLU PHI -94.557 CHI1 -162.706 CHI2 166.382 CHI3 22.917
PSI 141.991
49 TYR PHI -87.002 CHI1 -55.963 CHI2 -62.205 CHI6 -153.489
PSI 147.585
50 VAL PHI -123.529 CHI1 178.670 CHI21 22.769 CHI22 70.333
PSI 131.931
51 LEU PHI -95.297 CHI1 -153.926 CHI2 58.967 CHI31 -82.785
CHI32 17.954 PSI 71.320
52 SER PHI -70.602 CHI1 153.242 CHI2 102.426 PSI 125.733
53 VAL PHI -143.200 CHI1 40.223 CHI21 139.904 CHI22 25.682
PSI 130.052
54 LEU PHI -78.012 CHI1 163.624 CHI2 64.635 CHI31 -110.011
CHI32 17.513 PSI 140.528
55 TRP PHI -157.019 CHI1 -165.262 CHI2 -97.166 PSI 116.125
56 ASP PHI 51.292 CHI1 -44.599 CHI2 -24.742 PSI 52.369
57 GLY PHI 58.130 PSI 31.199
58 LEU PHI -136.491 CHI1 -111.716 CHI2 52.459 CHI31 -74.885
CHI32 35.953 PSI 87.889
59 PRO PSI 81.421
60 ARG PHI -65.510 CHI1 -54.504 CHI2 -88.249 CHI3 81.217
CHI4 166.671 PSI 167.270
61 HIS PHI -129.968 CHI1 -85.591 CHI2 -76.527 PSI 70.512
62 PHE PHI -66.956 CHI1 -56.817 CHI2 -81.693 PSI 88.923
63 ILE PHI -66.900 CHI1 -54.579 CHI22 59.164 CHI21 173.243
CHI31 -169.593 PSI 132.400
64 ILE PHI -78.100 CHI1 -58.517 CHI22 122.680 CHI21 159.853
CHI31 -4.739 PSI 126.294
65 GLN PHI -82.980 CHI1 -84.583 CHI2 -60.356 CHI3 -52.809
PSI 126.096
66 SER PHI -110.568 CHI1 71.910 CHI2 156.886 PSI 112.958
67 LEU PHI -162.160 CHI1 57.004 CHI2 152.084 CHI31 -108.689
CHI32 -160.718 PSI 152.640
68 ASP PHI 59.357 CHI1 -148.185 CHI2 57.537 PSI 26.600
69 ASN PHI 61.452 CHI1 -153.062 CHI2 -91.647 PSI 26.794
70 LEU PHI -136.821 CHI1 -95.071 CHI2 85.423 CHI31 52.336
CHI32 123.956 PSI 156.379
71 TYR PHI -112.602 CHI1 -60.570 CHI2 -75.873 CHI6 51.407
PSI 112.150
72 ARG PHI -135.643 CHI1 74.618 CHI2 -176.053 CHI3 -179.161
CHI4 162.164 PSI 147.103
73 LEU PHI -120.406 CHI1 -98.185 CHI2 174.800 CHI31 -148.004
CHI32 102.932 PSI -69.568
74 GLU PHI -143.048 CHI1 -151.563 CHI2 -96.529 CHI3 130.723
PSI 26.977
75 GLY PHI -145.330 PSI -97.276
76 GLU PHI -128.407 CHI1 -101.196 CHI2 86.663 CHI3 30.210
PSI 150.522
77 GLY PHI -90.427 PSI 138.554
78 PHE PHI -117.114 CHI1 -83.525 CHI2 86.653 PSI 158.482
79 PRO PSI -11.882
80 SER PHI -144.428 CHI1 -7.531 CHI2 -125.774 PSI 158.722
81 ILE PHI -64.911 CHI1 -81.845 CHI22 154.413 CHI21 -68.624
CHI31 -178.339 PSI -53.762
82 PRO PSI -8.693
83 LEU PHI -84.561 CHI1 -117.530 CHI2 -52.016 CHI31 -45.906
CHI32 -104.087 PSI -12.386
84 LEU PHI -105.230 CHI1 161.872 CHI2 48.831 CHI31 -108.108
CHI32 161.948 PSI -40.273
85 ILE PHI -52.232 CHI1 -59.487 CHI22 -87.040 CHI21 -57.336
CHI31 -170.029 PSI -35.084
86 ASP PHI -68.649 CHI1 163.128 CHI2 70.730 PSI -36.645
87 HIS PHI -60.570 CHI1 172.776 CHI2 81.220 PSI -51.444
88 LEU PHI -61.322 CHI1 -96.192 CHI2 60.609 CHI31 123.388
CHI32 97.378 PSI -38.621
89 LEU PHI -73.939 CHI1 -80.631 CHI2 -177.128 CHI31 119.252
CHI32 -50.206 PSI -9.913
90 SER PHI -97.277 CHI1 -175.776 CHI2 -117.924 PSI -23.509
91 THR PHI -103.825 CHI1 68.338 CHI21 -169.054 CHI22 -60.671
PSI -21.474
92 GLN PHI 58.426 CHI1 -78.835 CHI2 -70.492 CHI3 -84.299
PSI 54.700
93 GLN PHI -112.822 CHI1 -60.722 CHI2 -70.554 CHI3 -24.546
PSI 154.176
94 PRO PSI 140.616
95 LEU PHI -60.419 CHI1 -65.220 CHI2 109.435 CHI31 26.404
CHI32 157.983 PSI -32.825
96 THR PHI -129.626 CHI1 24.624 CHI21 31.686 CHI22 -112.772
PSI 155.189
97 LYS PHI -77.015 CHI1 179.798 CHI2 73.069 CHI3 176.130
CHI4 53.489 CHI5 163.934 PSI -59.663
98 LYS PHI -52.580 CHI1 -76.926 CHI2 -78.015 CHI3 -178.786
CHI4 56.502 CHI5 39.333 PSI -35.058
99 SER PHI -89.391 CHI1 -147.213 CHI2 -158.052 PSI -170.125
100 GLY PHI -146.031 PSI 31.752
101 VAL PHI -90.770 CHI1 -175.389 CHI21 -96.237 CHI22 -12.801
PSI 117.340
102 VAL PHI -108.337 CHI1 -143.195 CHI21 -143.724 CHI22 64.376
PSI 160.178
103 LEU PHI -88.907 CHI1 -95.874 CHI2 76.789 CHI31 -24.577
CHI32 78.576 PSI 105.950
104 HIS PHI -80.401 CHI1 -149.539 CHI2 -21.745 PSI -51.928
105 ARG PHI -173.314 CHI1 -173.658 CHI2 155.237 CHI3 130.076
CHI4 -73.231 PSI 154.013
106 ALA PHI -80.152 CHI1 -145.161 PSI 146.299
107 VAL PHI -78.245 CHI1 179.334 CHI21 -54.146 CHI22 -77.881
PSI 133.370
108 PRO PSI 125.918
109 SER PHI -93.366 CHI1 157.815 CHI2 -106.690 PSI -39.867
110 GLY PHI 106.306 PSI -174.959
111 PRO PSI 132.708
112 SER PHI -122.324 CHI1 29.234 CHI2 -50.502 PSI 129.424
113 SER PHI -71.621 CHI1 -81.442 CHI2 -26.396 PSI 108.592
114 GLY PHI -141.832 PSI 106.719