DSSP OUTPUT
==== Secondary Structure Definition by the program DSSP, CMBI version 3.0.1 ==== DATE=2019-06-21 .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 .
HEADER TOXIN 19-JUL-01 1JMP .
COMPND MOL_ID: 1; MOLECULE: VISCOTOXIN B; CHAIN: A; ENGINEERED: YES .
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: VISCUM ALBUM; ORGANISM_COMMON: EUROPEA .
AUTHOR A.COULON,A.MOSBAH,C.BERNARD,P.ROUGE,K.URECH,H.DARBON .
46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
3240.9 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
25 54.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
2 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES .
1 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES .
2 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
4 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
15 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES .
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** .
0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER .
1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER .
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET .
# RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA CHAIN AUTHCHAIN
1 1 A K 0 0 107 0, 0.0 38,-0.0 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 -80.3 -5.9 1.7 -2.0 A A
2 2 A S - 0 0 2 1,-0.1 2,-0.4 37,-0.1 32,-0.2 0.440 360.0-113.5 60.3 152.1 -2.3 2.8 -1.3 A A
3 3 A a B -A 33 0A 0 30,-2.8 30,-3.1 43,-0.0 -1,-0.1 -0.940 28.1-173.8-121.6 142.4 0.4 3.0 -3.9 A A
4 4 A b - 0 0 3 -2,-0.4 42,-0.5 28,-0.3 28,-0.1 -0.998 30.1-138.7-139.8 136.8 3.6 0.8 -4.2 A A
5 5 A P S S+ 0 0 67 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.593 97.6 25.2 -66.3 -9.2 6.6 1.0 -6.5 A A
6 6 A N S >> S- 0 0 96 38,-0.2 3,-2.7 1,-0.1 4,-1.7 -0.929 73.9-129.5-158.7 130.7 6.4 -2.8 -6.7 A A
7 7 A T H 3> S+ 0 0 63 39,-1.8 4,-2.5 -2,-0.3 5,-0.2 0.789 106.5 74.8 -48.8 -27.6 3.6 -5.4 -6.3 A A
8 8 A T H 3> S+ 0 0 95 2,-0.2 4,-0.8 38,-0.2 -1,-0.3 0.882 105.5 34.1 -53.7 -38.5 6.1 -7.1 -3.9 A A
9 9 A G H X> S+ 0 0 9 -3,-2.7 4,-2.4 2,-0.2 3,-0.7 0.923 113.8 56.2 -82.0 -47.7 5.3 -4.3 -1.4 A A
10 10 A R H 3X S+ 0 0 31 -4,-1.7 4,-3.1 1,-0.3 5,-0.2 0.765 101.7 63.4 -54.2 -24.5 1.7 -3.9 -2.4 A A
11 11 A N H 3X S+ 0 0 91 -4,-2.5 4,-3.2 -5,-0.3 5,-0.3 0.936 105.6 40.9 -66.9 -47.3 1.4 -7.6 -1.6 A A
12 12 A I H < S+ 0 0 22 -4,-2.9 3,-1.4 -5,-0.3 5,-0.4 0.949 110.2 41.7 -50.9 -55.1 -1.8 -7.1 5.6 A A
17 17 A R H >< S+ 0 0 134 -4,-2.4 3,-2.1 1,-0.3 -1,-0.2 0.890 109.8 59.4 -60.2 -39.0 -5.1 -5.4 5.2 A A
18 18 A L H 3< S+ 0 0 156 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.679 107.0 48.8 -63.8 -16.3 -6.7 -8.7 4.2 A A
19 19 A G T << S- 0 0 66 -3,-1.4 -1,-0.3 -4,-1.1 -2,-0.2 0.143 129.3 -93.2-109.3 18.4 -5.5 -10.0 7.6 A A
20 20 A G S < S+ 0 0 74 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.986 75.3 145.6 70.2 60.8 -6.9 -7.1 9.6 A A
21 21 A G - 0 0 8 -5,-0.4 -1,-0.2 -4,-0.2 5,-0.1 -0.984 51.5-108.4-136.3 124.7 -3.9 -4.9 9.8 A A
22 22 A S > - 0 0 78 -2,-0.4 4,-1.4 1,-0.1 5,-0.2 0.063 30.9-114.6 -42.5 155.3 -3.8 -1.1 9.8 A A
23 23 A R H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.840 116.8 51.6 -64.6 -34.6 -2.6 0.6 6.7 A A
24 24 A E H > S+ 0 0 158 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.877 101.4 60.0 -70.6 -39.7 0.4 2.0 8.6 A A
25 25 A R H > S+ 0 0 169 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.921 111.8 39.8 -55.1 -46.1 1.4 -1.4 10.0 A A
26 26 A c H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.889 109.5 61.3 -70.6 -39.7 1.9 -2.8 6.4 A A
27 27 A A H < S+ 0 0 24 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.923 108.5 42.3 -52.4 -48.1 3.4 0.5 5.3 A A
28 28 A S H < S+ 0 0 114 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.752 113.2 57.7 -70.1 -23.9 6.3 0.0 7.8 A A
29 29 A L H < S+ 0 0 110 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.973 128.9 3.1 -70.1 -58.2 6.3 -3.6 6.8 A A
30 30 A S S < S- 0 0 46 -4,-2.9 -3,-0.2 -21,-0.1 -2,-0.1 0.894 94.3-113.4 -93.4 -75.6 7.0 -3.2 3.1 A A
31 31 A G + 0 0 54 -5,-0.3 -4,-0.1 -22,-0.1 -3,-0.1 0.465 53.8 150.6 145.5 19.4 7.4 0.4 2.1 A A
32 32 A b - 0 0 8 -6,-0.2 2,-0.5 -23,-0.2 -28,-0.3 -0.187 48.1-106.4 -69.9 167.1 4.5 1.5 -0.0 A A
33 33 A K B -A 3 0A 106 -30,-3.1 -30,-2.8 11,-0.2 2,-0.6 -0.855 23.8-138.5-102.3 129.2 3.2 5.0 -0.1 A A
34 34 A I - 0 0 63 -2,-0.5 2,-0.1 -32,-0.2 -30,-0.0 -0.749 25.9-175.3 -88.6 121.4 -0.1 5.9 1.6 A A
35 35 A I - 0 0 38 -2,-0.6 2,-0.3 3,-0.1 5,-0.1 -0.131 14.5-126.9 -98.5-162.8 -2.3 8.3 -0.4 A A
36 36 A S S S+ 0 0 88 3,-0.8 3,-0.1 -2,-0.1 0, 0.0 -0.992 80.2 20.5-150.2 150.4 -5.6 10.0 0.4 A A
37 37 A A S S- 0 0 96 -2,-0.3 2,-1.7 1,-0.2 3,-0.1 0.694 115.6 -85.9 63.8 17.5 -9.0 10.3 -1.3 A A
38 38 A S S S+ 0 0 78 1,-0.2 -1,-0.2 0, 0.0 -3,-0.1 -0.286 97.5 125.7 81.1 -52.3 -8.0 7.2 -3.3 A A
39 39 A T - 0 0 95 -2,-1.7 -3,-0.8 -3,-0.1 -1,-0.2 -0.104 57.8-134.2 -42.5 125.8 -6.1 9.2 -5.9 A A
40 40 A a - 0 0 32 1,-0.1 -1,-0.1 -5,-0.1 -6,-0.1 -0.485 13.7-113.7 -85.9 157.6 -2.6 7.8 -6.2 A A
41 41 A P S S- 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 0.565 78.2 -26.7 -62.1-140.2 0.6 10.0 -6.3 A A
42 42 A S S S- 0 0 106 1,-0.1 -2,-0.1 2,-0.1 0, 0.0 0.922 106.6 -74.3 -39.7 -76.7 2.8 10.1 -9.4 A A
43 43 A D S S+ 0 0 143 1,-0.0 -1,-0.1 0, 0.0 3,-0.1 0.118 88.8 121.6 172.7 52.6 1.9 6.6 -10.8 A A
44 44 A Y + 0 0 69 1,-0.1 -40,-0.2 2,-0.1 -11,-0.2 -0.479 16.1 142.2-125.8 62.2 3.5 3.8 -8.9 A A
45 45 A P 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -39,-0.0 0.285 360.0 360.0 -83.5 11.0 0.5 1.6 -7.6 A A
46 46 A K 0 0 128 -42,-0.5 -39,-1.8 -3,-0.1 -38,-0.2 0.284 360.0 360.0-170.5 360.0 2.6 -1.5 -8.3 A A