==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 10-JAN-13 2M36 . COMPND 2 MOLECULE: U2-CYRTAUTOXIN-AS1A; . SOURCE 2 ORGANISM_SCIENTIFIC: APOMASTUS SCHLINGERI; . AUTHOR G.F.KING,N.S.BENDE,M.MOBLI . 38 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 42.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 15.8 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 . 3 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 10.5 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 2 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 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 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 S 0 0 162 0, 0.0 2,-0.2 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 104.9 2.6 0.1 -1.2 2 2 A a - 0 0 57 13,-0.0 2,-0.2 14,-0.0 13,-0.2 -0.702 360.0-124.2-133.1-175.3 3.1 -3.0 -3.4 3 3 A N B -a 15 0A 41 11,-1.1 13,-1.4 -2,-0.2 14,-0.3 -0.738 16.4-123.8-128.1 176.8 4.6 -4.0 -6.7 4 4 A S > - 0 0 82 -2,-0.2 3,-1.3 1,-0.2 32,-0.4 -0.755 44.0 -67.5-120.5 167.8 3.6 -5.8 -9.9 5 5 A K T 3 S+ 0 0 149 -2,-0.2 32,-0.2 1,-0.2 -1,-0.2 -0.118 118.3 35.0 -51.2 148.0 4.8 -8.8 -11.9 6 6 A G T 3 S+ 0 0 56 30,-1.9 -1,-0.2 1,-0.3 31,-0.1 0.462 92.0 121.6 83.9 0.6 8.2 -8.5 -13.4 7 7 A T < - 0 0 49 -3,-1.3 29,-1.3 29,-0.1 -1,-0.3 -0.835 64.8-119.2-102.7 133.9 9.4 -6.4 -10.5 8 8 A P E +B 35 0B 84 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.407 44.7 152.5 -69.7 141.6 12.4 -7.4 -8.3 9 9 A b E -B 34 0B 13 25,-2.1 25,-0.6 -2,-0.1 3,-0.1 -0.941 45.6-140.3-157.6 175.9 11.8 -8.0 -4.6 10 10 A T S S+ 0 0 99 -2,-0.3 2,-0.3 1,-0.2 25,-0.1 0.404 85.7 33.8-123.7 -6.0 13.0 -10.0 -1.6 11 11 A N S > S- 0 0 104 23,-0.1 3,-0.9 1,-0.1 4,-0.2 -0.976 76.6-116.8-148.5 159.4 9.7 -10.9 -0.0 12 12 A A G > S+ 0 0 49 -2,-0.3 3,-2.3 1,-0.2 6,-0.5 0.820 110.1 69.2 -65.9 -31.3 6.1 -11.8 -1.0 13 13 A D G 3 S+ 0 0 140 1,-0.3 -1,-0.2 5,-0.1 -10,-0.2 0.825 86.6 67.2 -56.4 -32.4 4.9 -8.6 0.7 14 14 A E G < S+ 0 0 81 -3,-0.9 -11,-1.1 -12,-0.1 2,-0.6 0.688 95.0 69.2 -62.5 -17.2 6.6 -6.6 -2.0 15 15 A c B X S-a 3 0A 4 -3,-2.3 3,-0.8 -13,-0.2 -11,-0.1 -0.917 75.9-147.8-109.6 119.7 4.0 -8.1 -4.4 16 16 A a T 3 S+ 0 0 93 -13,-1.4 -1,-0.1 -2,-0.6 -12,-0.1 0.777 106.2 45.1 -52.3 -26.9 0.4 -7.1 -4.0 17 17 A G T 3 S- 0 0 42 -14,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.731 114.5-118.4 -89.6 -24.9 -0.5 -10.6 -5.1 18 18 A G S < S+ 0 0 39 -3,-0.8 -6,-0.1 -6,-0.5 -5,-0.1 0.914 71.4 124.8 87.2 49.9 2.0 -12.3 -2.9 19 19 A K + 0 0 116 -7,-0.4 18,-1.0 -8,-0.1 2,-0.7 -0.538 22.8 156.4-140.4 70.8 4.3 -14.0 -5.4 20 20 A b E +C 36 0B 19 16,-0.2 2,-0.3 -5,-0.1 16,-0.2 -0.874 26.0 109.7-103.0 113.0 7.9 -13.0 -4.9 21 21 A A E -C 35 0B 44 14,-2.7 14,-1.3 -2,-0.7 2,-0.2 -0.905 60.0-108.8-176.6 148.3 10.4 -15.5 -6.2 22 22 A Y - 0 0 71 12,-0.3 2,-0.3 -2,-0.3 12,-0.2 -0.606 21.6-165.5 -87.4 146.0 13.0 -16.0 -9.0 23 23 A N + 0 0 134 -2,-0.2 2,-0.3 10,-0.2 -2,-0.0 -0.748 31.9 133.3-134.5 86.9 12.4 -18.4 -11.9 24 24 A V - 0 0 86 -2,-0.3 5,-0.1 3,-0.3 -2,-0.0 -0.894 47.1-149.4-132.2 161.9 15.6 -19.2 -13.8 25 25 A W S S+ 0 0 219 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.628 103.3 39.5-102.5 -20.4 17.3 -22.3 -15.2 26 26 A N S S+ 0 0 124 1,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.129 102.8 76.3-114.1 17.3 20.9 -21.0 -15.0 27 27 A d S S- 0 0 40 5,-0.0 -3,-0.3 -5,-0.0 3,-0.2 -0.603 70.5-160.3-129.4 71.8 20.4 -19.2 -11.6 28 28 A I - 0 0 154 -2,-0.2 2,-0.2 1,-0.2 -3,-0.1 -0.159 42.4 -82.7 -51.4 141.9 20.4 -21.9 -8.9 29 29 A G S S+ 0 0 49 1,-0.1 -1,-0.2 -5,-0.1 -2,-0.0 -0.280 104.5 75.7 -51.8 111.0 18.8 -20.7 -5.7 30 30 A G S S+ 0 0 72 -2,-0.2 -1,-0.1 -3,-0.2 -2,-0.1 0.382 101.5 10.8 144.8 66.9 21.5 -18.8 -3.9 31 31 A G S S+ 0 0 80 1,-0.2 2,-0.2 -4,-0.1 -2,-0.1 0.695 92.9 119.0 115.5 34.8 22.4 -15.3 -5.1 32 32 A d - 0 0 33 -5,-0.1 2,-0.5 -10,-0.0 -1,-0.2 -0.520 63.4-104.5-117.1-174.4 19.6 -14.5 -7.5 33 33 A S - 0 0 95 -2,-0.2 -10,-0.2 -12,-0.0 -23,-0.1 -0.939 29.1-141.9-121.5 110.7 16.9 -11.8 -7.8 34 34 A K E -B 9 0B 70 -25,-0.6 -25,-2.1 -2,-0.5 2,-0.3 -0.333 18.2-155.1 -67.7 149.1 13.3 -12.8 -7.0 35 35 A T E -BC 8 21B 46 -14,-1.3 -14,-2.7 -27,-0.2 2,-0.2 -0.852 17.9-103.3-125.4 161.5 10.5 -11.4 -9.2 36 36 A c E - C 0 20B 5 -29,-1.3 -30,-1.9 -32,-0.4 -16,-0.2 -0.545 22.3-171.8 -83.8 148.4 6.8 -10.7 -8.7 37 37 A G 0 0 32 -18,-1.0 -32,-0.2 -32,-0.2 -1,-0.1 0.773 360.0 360.0-106.6 -39.6 4.2 -12.9 -10.2 38 38 A Y 0 0 181 -19,-0.1 -18,-0.1 -34,-0.1 -2,-0.0 0.071 360.0 360.0-113.8 360.0 0.9 -11.1 -9.6