==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 19-JUL-01 1JMN . COMPND 2 MOLECULE: VISCOTOXIN A2; . SOURCE 2 ORGANISM_SCIENTIFIC: VISCUM ALBUM; . AUTHOR A.MOSBAH,A.COULON,C.BERNARD,K.URECH,P.ROUGE,H.DARBON . 46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 65.2 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 . 3 6.5 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 . 0 0.0 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 . 5 10.9 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 . 2 4.3 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 1 0 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 . 0 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 ANTIPARALLEL 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 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 1 1 A K 0 0 152 0, 0.0 34,-1.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 174.9 3.8 2.6 5.8 2 2 A S E -A 34 0A 23 32,-0.2 2,-1.0 36,-0.1 32,-0.2 -0.950 360.0-112.0-145.6 162.9 3.7 -0.1 3.1 3 3 A a E +A 33 0A 0 30,-2.4 30,-1.6 -2,-0.3 31,-0.1 -0.778 44.8 168.0-103.9 93.6 6.0 -1.6 0.5 4 4 A b - 0 0 3 -2,-1.0 42,-2.2 28,-0.2 3,-0.1 -0.690 42.8-125.1-104.4 155.0 4.7 -0.6 -2.9 5 5 A P S S- 0 0 60 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.841 83.3 -35.8 -65.4 -32.5 6.5 -0.9 -6.3 6 6 A N S >> S- 0 0 62 40,-0.1 3,-1.6 38,-0.1 4,-1.0 -0.974 78.0 -66.1-174.0 179.1 6.2 2.7 -7.0 7 7 A T H 3> S+ 0 0 85 -2,-0.3 4,-0.7 1,-0.3 -1,-0.0 0.749 124.3 67.0 -53.0 -23.5 4.0 5.8 -6.6 8 8 A T H >> S+ 0 0 87 1,-0.2 4,-1.2 2,-0.2 3,-1.0 0.896 93.7 56.2 -65.4 -40.5 1.6 4.0 -9.0 9 9 A G H <> S+ 0 0 1 -3,-1.6 4,-2.5 1,-0.3 5,-0.2 0.884 98.7 59.8 -59.3 -38.1 0.9 1.5 -6.3 10 10 A R H 3X S+ 0 0 137 -4,-1.0 4,-2.0 36,-0.3 -1,-0.3 0.789 100.4 59.6 -60.1 -27.2 -0.1 4.2 -3.9 11 11 A N H S+ 0 0 11 -4,-2.3 4,-2.0 -5,-0.2 5,-1.6 0.968 117.5 45.0 -78.1 -59.6 -9.3 1.0 -2.8 17 17 A R H ><5S+ 0 0 144 -4,-3.3 3,-0.6 1,-0.3 4,-0.2 0.933 122.5 38.0 -49.9 -52.9 -9.0 2.9 0.5 18 18 A F T 3<5S+ 0 0 162 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.671 113.4 61.0 -73.4 -15.8 -11.0 5.8 -0.8 19 19 A G T 345S- 0 0 62 -5,-0.5 -2,-0.2 -3,-0.3 -1,-0.2 0.747 128.7 -90.6 -82.4 -24.1 -13.2 3.3 -2.6 20 20 A G T <<5S+ 0 0 69 -4,-2.0 -3,-0.2 -3,-0.6 -2,-0.1 0.716 84.2 121.3 118.1 37.3 -14.2 1.6 0.6 21 21 A G < - 0 0 38 -5,-1.6 2,-0.2 -4,-0.2 -4,-0.1 -0.013 49.0-125.3-107.3-148.6 -11.7 -1.1 1.1 22 22 A S - 0 0 61 -2,-0.1 4,-0.2 1,-0.1 -1,-0.2 -0.442 36.3 -83.1-138.4-148.7 -9.3 -2.0 3.9 23 23 A R S > S+ 0 0 97 -2,-0.2 4,-3.1 3,-0.2 5,-0.1 0.856 122.3 41.6 -97.2 -48.5 -5.5 -2.7 4.3 24 24 A Q H > S+ 0 0 161 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.931 119.5 46.0 -64.6 -45.5 -5.3 -6.3 3.3 25 25 A V H > S+ 0 0 75 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.919 114.7 48.0 -63.1 -44.0 -7.7 -5.8 0.4 26 26 A c H >> S+ 0 0 0 -4,-0.2 4,-2.2 2,-0.2 3,-0.9 0.914 110.4 52.3 -61.4 -43.8 -5.8 -2.7 -0.5 27 27 A A H 3X>S+ 0 0 11 -4,-3.1 4,-2.6 1,-0.3 5,-0.6 0.900 110.5 46.8 -59.9 -42.6 -2.5 -4.7 -0.2 28 28 A S H 3<5S+ 0 0 107 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.593 112.3 53.5 -76.0 -9.9 -3.9 -7.3 -2.6 29 29 A L H <<5S+ 0 0 89 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.785 123.2 24.3 -92.7 -33.4 -5.1 -4.5 -4.8 30 30 A S H <5S- 0 0 13 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.594 100.2-127.4-105.6 -15.7 -1.7 -2.8 -5.1 31 31 A G T <5 + 0 0 41 -4,-2.6 -3,-0.2 -5,-0.3 -4,-0.1 0.640 59.9 144.4 76.7 17.8 0.4 -5.8 -4.4 32 32 A b < - 0 0 2 -5,-0.6 2,-0.5 -6,-0.3 -28,-0.2 -0.318 53.7-106.7 -84.1 169.5 2.2 -3.9 -1.7 33 33 A K E -A 3 0A 103 -30,-1.6 -30,-2.4 10,-0.3 2,-0.8 -0.863 23.2-135.8-101.4 128.4 3.5 -5.3 1.6 34 34 A I E -A 2 0A 80 -2,-0.5 2,-0.3 -32,-0.2 -32,-0.2 -0.729 23.8-165.1 -86.1 107.9 1.7 -4.3 4.8 35 35 A I - 0 0 44 -34,-1.0 5,-0.1 -2,-0.8 -2,-0.0 -0.723 19.8-148.3 -95.1 142.2 4.2 -3.5 7.5 36 36 A S S S+ 0 0 132 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.079 80.5 26.0 -97.1 33.0 3.3 -3.3 11.1 37 37 A A S S- 0 0 53 2,-0.3 -2,-0.1 -36,-0.2 0, 0.0 -0.907 102.5 -73.5-166.9-167.7 5.9 -0.6 11.8 38 38 A S S S+ 0 0 97 -2,-0.3 2,-0.2 2,-0.0 -36,-0.1 0.106 102.6 78.8 -93.5 21.5 7.9 2.2 10.2 39 39 A T - 0 0 95 -38,-0.1 -2,-0.3 0, 0.0 -4,-0.1 -0.647 58.7-159.7-120.6 178.6 10.2 -0.2 8.4 40 40 A a - 0 0 29 -2,-0.2 4,-0.1 -4,-0.1 -38,-0.0 -0.951 14.2-127.5-162.3 139.3 9.9 -2.3 5.2 41 41 A P - 0 0 75 0, 0.0 2,-1.3 0, 0.0 -8,-0.1 0.134 56.0 -68.8 -72.5-165.6 11.7 -5.4 3.8 42 42 A S S S+ 0 0 131 1,-0.2 -39,-0.0 2,-0.1 0, 0.0 -0.202 100.5 110.8 -83.2 45.9 13.3 -5.8 0.4 43 43 A D S S- 0 0 35 -2,-1.3 -10,-0.3 -10,-0.0 3,-0.3 -0.366 100.2 -84.7-115.4 48.1 9.9 -5.6 -1.2 44 44 A Y - 0 0 119 1,-0.2 2,-2.4 -4,-0.1 -11,-0.2 0.949 40.5-144.4 48.0 87.6 10.3 -2.2 -2.8 45 45 A P 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -42,-0.2 -0.319 360.0 360.0 -78.3 58.1 9.4 0.2 -0.1 46 46 A K 0 0 102 -2,-2.4 -36,-0.3 -42,-2.2 -43,-0.2 0.087 360.0 360.0-108.2 360.0 7.7 2.6 -2.4