==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 20-DEC-89 5EBX . COMPND 2 MOLECULE: ERABUTOXIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: LATICAUDA SEMIFASCIATA; . AUTHOR P.W.R.CORFIELD,T.-J.LEE,B.W.LOW . 62 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 43.5 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 . 18 29.0 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 1.6 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 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.5 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 . 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 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 R 0 0 85 0, 0.0 16,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.9 12.4 7.9 9.2 2 2 A I E -A 16 0A 58 14,-0.2 57,-2.7 12,-0.0 2,-0.3 -0.996 360.0-179.7-124.1 128.1 14.8 6.2 11.6 3 3 A a E -A 15 0A 0 12,-2.5 12,-2.5 -2,-0.4 2,-0.2 -0.897 33.1-107.0-127.3 160.9 17.3 8.3 13.6 4 4 A F E -A 14 0A 22 -2,-0.3 10,-0.3 10,-0.2 21,-0.3 -0.522 31.7-179.8 -76.8 149.9 20.1 7.7 16.1 5 5 A N + 0 0 60 8,-2.4 34,-0.2 -2,-0.2 2,-0.2 0.208 37.4 115.1-138.8 14.6 18.9 8.8 19.6 6 6 A H - 0 0 11 7,-0.7 2,-0.3 32,-0.1 33,-0.1 -0.523 63.9-112.4 -89.9 159.1 22.0 8.0 21.8 7 7 A Q > - 0 0 62 -2,-0.2 3,-3.2 4,-0.1 31,-0.2 -0.634 60.0 -52.5 -92.5 139.4 24.0 10.7 23.7 8 8 A S T 3 S- 0 0 31 29,-2.8 -2,-0.1 -2,-0.3 28,-0.1 0.052 120.6 -14.4 33.9-110.6 27.6 11.6 22.9 9 9 A S T 3 S+ 0 0 125 3,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.001 96.8 124.4-109.3 27.9 29.6 8.4 22.9 10 10 A Q S < S- 0 0 113 -3,-3.2 3,-0.1 1,-0.2 -4,-0.1 -0.350 79.2 -67.9 -79.0 170.1 27.3 5.9 24.5 11 11 A P - 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 -0.378 67.3 -90.1 -60.7 139.4 26.4 2.7 22.6 12 12 A Q + 0 0 123 -3,-0.1 2,-0.3 -6,-0.1 -3,-0.0 -0.204 48.9 174.0 -56.9 130.3 24.3 3.3 19.5 13 13 A T - 0 0 69 -3,-0.1 -8,-2.4 2,-0.0 -7,-0.7 -0.969 14.2-149.9-138.0 144.7 20.5 3.3 19.7 14 14 A T E -A 4 0A 83 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.759 3.1-155.4-117.9 166.4 18.0 4.1 17.1 15 15 A K E -A 3 0A 94 -12,-2.5 -12,-2.5 -2,-0.3 2,-0.6 -0.999 16.6-132.7-142.6 135.7 14.4 5.5 17.1 16 16 A T E -A 2 0A 107 -2,-0.3 -14,-0.2 -14,-0.2 25,-0.1 -0.822 32.4-136.2 -90.9 121.0 11.5 5.2 14.7 17 17 A b - 0 0 11 -16,-2.4 3,-0.1 -2,-0.6 7,-0.0 -0.343 25.3 -95.0 -73.5 157.5 10.1 8.7 14.2 18 18 A S > - 0 0 86 1,-0.2 3,-1.8 -2,-0.1 -1,-0.1 -0.342 64.1 -65.9 -71.9 158.6 6.4 9.4 14.2 19 19 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.111 119.5 14.9 -48.6 137.5 4.6 9.5 10.8 20 20 A G T 3 S+ 0 0 85 1,-0.3 2,-0.4 -3,-0.1 -2,-0.1 0.268 85.8 133.8 81.5 -9.5 5.6 12.3 8.4 21 21 A E < + 0 0 65 -3,-1.8 -1,-0.3 1,-0.2 -4,-0.1 -0.610 26.3 174.8 -73.9 124.5 8.7 13.3 10.3 22 22 A S + 0 0 49 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.579 48.1 72.3-108.9 -12.6 11.5 13.6 7.7 23 23 A S - 0 0 14 33,-0.2 19,-2.5 -22,-0.1 2,-0.3 -0.704 50.9-162.4-110.4 164.7 14.4 14.9 9.8 24 24 A a E -BC 41 55B 0 31,-2.2 31,-2.0 -2,-0.3 2,-0.3 -0.890 21.7-147.5-126.5 151.2 16.9 13.7 12.4 25 25 A Y E -BC 40 54B 30 15,-2.1 15,-1.4 -2,-0.3 2,-0.4 -0.924 17.1-163.4-132.5 161.5 18.9 16.1 14.6 26 26 A N E -BC 39 53B 29 27,-2.4 27,-2.2 -2,-0.3 2,-0.3 -0.963 16.1-173.7-139.2 109.9 22.3 16.4 16.3 27 27 A K E -BC 38 52B 29 11,-3.3 11,-2.1 -2,-0.4 2,-0.4 -0.840 1.4-172.0-104.9 148.5 22.6 19.1 19.1 28 28 A Q E +BC 37 51B 63 23,-2.0 23,-2.5 -2,-0.3 2,-0.3 -0.990 16.1 143.9-146.2 131.0 25.9 19.9 20.8 29 29 A W E -B 36 0B 57 7,-2.0 7,-3.7 -2,-0.4 2,-0.4 -0.963 35.0-129.3-158.2 163.0 26.7 22.1 23.7 30 30 A S E +B 35 0B 78 -2,-0.3 2,-0.2 5,-0.3 5,-0.2 -0.919 27.0 166.8-119.9 142.8 29.0 22.3 26.7 31 31 A D - 0 0 61 3,-1.9 3,-0.4 -2,-0.4 -2,-0.0 -0.634 61.3 -71.7-135.5-171.2 27.9 22.8 30.3 32 32 A F S S+ 0 0 206 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.668 130.4 56.9 -63.6 -20.3 29.9 22.3 33.5 33 33 A R S S- 0 0 181 1,-0.3 2,-0.3 3,-0.0 -1,-0.2 0.849 116.6 -89.7 -79.2 -42.2 29.7 18.5 33.0 34 34 A G - 0 0 33 -3,-0.4 -3,-1.9 2,-0.0 2,-0.5 -0.979 62.5 -30.9 159.6-161.4 31.3 18.3 29.6 35 35 A T E -B 30 0B 88 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.839 59.5-158.0 -91.4 121.9 30.6 18.4 25.9 36 36 A I E -B 29 0B 5 -7,-3.7 -7,-2.0 -2,-0.5 2,-0.5 -0.873 13.0-168.4-108.6 136.9 27.1 17.0 25.2 37 37 A I E -B 28 0B 41 -2,-0.4 -29,-2.8 -9,-0.2 2,-0.4 -0.971 10.0-170.4-126.0 111.2 25.8 15.5 21.9 38 38 A E E -B 27 0B 58 -11,-2.1 -11,-3.3 -2,-0.5 2,-0.3 -0.865 5.5-178.5-105.1 135.4 22.1 15.0 21.7 39 39 A R E +B 26 0B 19 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.964 19.7 111.0-132.9 149.8 20.4 13.0 18.8 40 40 A G E -B 25 0B 5 -15,-1.4 -15,-2.1 -2,-0.3 2,-0.2 -0.958 59.3 -39.6 176.7-161.8 16.9 12.2 18.0 41 41 A b E S+B 24 0B 26 -2,-0.3 -17,-0.3 -17,-0.2 2,-0.1 -0.610 90.9 17.6 -91.3 153.5 13.9 12.7 15.7 42 42 A G S S- 0 0 7 -19,-2.5 13,-0.2 -2,-0.2 -2,-0.2 -0.213 82.1 -88.1 85.1-176.2 12.9 16.0 14.2 43 43 A c - 0 0 68 11,-0.1 -1,-0.1 -20,-0.1 3,-0.1 -0.836 49.1-157.0-136.4 86.8 14.6 19.4 13.8 44 44 A P - 0 0 44 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.053 29.9 -73.1 -66.8 166.4 14.0 21.3 17.0 45 45 A T - 0 0 131 1,-0.1 2,-0.3 7,-0.0 0, 0.0 -0.475 48.6-108.0 -70.5 135.1 14.1 25.1 17.5 46 46 A V - 0 0 126 -2,-0.2 -1,-0.1 -3,-0.1 5,-0.1 -0.445 39.6-171.3 -64.2 121.5 17.4 26.9 17.5 47 47 A K > - 0 0 115 -2,-0.3 3,-1.5 3,-0.2 -1,-0.0 -0.937 34.7 -82.9-122.7 137.3 18.2 28.1 21.0 48 48 A P T 3 S+ 0 0 128 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.084 107.5 6.8 -49.7 127.6 21.1 30.4 21.9 49 49 A G T 3 S+ 0 0 77 1,-0.2 2,-0.5 -20,-0.0 -3,-0.0 0.642 100.3 109.3 76.6 16.6 24.5 28.9 22.3 50 50 A I < - 0 0 28 -3,-1.5 2,-0.3 -21,-0.1 -1,-0.2 -0.990 64.2-133.0-125.0 130.7 23.6 25.4 21.2 51 51 A K E -C 28 0B 121 -23,-2.5 -23,-2.0 -2,-0.5 2,-0.4 -0.656 25.0-168.4 -81.8 134.1 24.9 24.0 17.9 52 52 A L E +C 27 0B 48 -2,-0.3 2,-0.4 -25,-0.2 -25,-0.2 -0.990 12.8 179.6-134.7 127.1 22.2 22.4 15.8 53 53 A S E -C 26 0B 76 -27,-2.2 -27,-2.4 -2,-0.4 2,-0.4 -0.996 9.3-168.9-126.5 130.3 22.6 20.2 12.7 54 54 A c E +C 25 0B 47 -2,-0.4 2,-0.3 -29,-0.2 -29,-0.2 -0.920 5.8 178.8-121.9 143.4 19.6 18.7 10.9 55 55 A d E -C 24 0B 32 -31,-2.0 -31,-2.2 -2,-0.4 2,-0.2 -0.961 23.1-145.6-142.3 156.0 19.5 16.1 8.1 56 56 A E + 0 0 140 -2,-0.3 2,-0.3 -33,-0.2 -33,-0.2 -0.461 64.8 82.0-125.5 63.7 16.8 14.3 6.1 57 57 A S S > S- 0 0 65 -2,-0.2 3,-1.3 -55,-0.1 4,-0.1 -0.977 88.8 -66.6-158.0 156.4 17.9 10.8 5.4 58 58 A E T 3 S- 0 0 90 -2,-0.3 -55,-0.2 1,-0.3 -2,-0.1 -0.235 112.5 -13.5 -52.0 137.2 18.0 7.5 7.3 59 59 A V T 3 S+ 0 0 61 -57,-2.7 3,-0.4 1,-0.1 -1,-0.3 0.733 88.6 145.0 32.5 52.6 20.4 7.4 10.3 60 60 A d < + 0 0 39 -3,-1.3 -1,-0.1 -58,-0.3 -2,-0.1 0.528 48.1 74.7 -88.1 -13.9 22.0 10.7 9.2 61 61 A N 0 0 4 -4,-0.1 -1,-0.2 -36,-0.1 -2,-0.1 -0.144 360.0 360.0 -97.3 35.2 22.7 12.2 12.6 62 62 A N 0 0 104 -3,-0.4 -36,-0.0 -36,-0.1 -2,-0.0 -0.358 360.0 360.0 -67.2 360.0 25.6 10.1 13.9