==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER INSECT IMMUNITY 17-JUN-98 1BIH . COMPND 2 MOLECULE: HEMOLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HYALOPHORA CECROPIA; . AUTHOR X.-D.SU,L.N.GASTINEL,D.E.VAUGHN,I.FAYE,P.POON,P.J.BJORKMAN . 782 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 250 32.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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-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 . 135 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 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 . 2 0 0 4 4 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 . 3 8 10 18 2 2 2 2 2 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 . 8 8 1 5 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 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 5 A K 0 0 205 0, 0.0 28,-0.2 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -96.6 28.4 73.0 81.3 2 6 A Y - 0 0 71 26,-0.1 2,-0.9 28,-0.0 28,-0.1 -0.734 360.0 -80.1-120.8 170.1 31.8 73.8 79.7 3 7 A P + 0 0 11 0, 0.0 2,-0.3 0, 0.0 25,-0.2 -0.643 69.6 147.5 -78.5 109.3 34.1 71.7 77.5 4 8 A V E -A 27 0A 9 23,-1.7 23,-2.6 -2,-0.9 2,-0.2 -0.994 47.2-110.9-141.9 143.9 35.9 69.5 80.1 5 9 A L E -A 26 0A 9 -2,-0.3 21,-0.2 21,-0.3 2,-0.2 -0.509 28.7-122.6 -78.0 142.8 37.3 66.0 79.9 6 10 A K - 0 0 78 19,-2.5 19,-0.2 -2,-0.2 -1,-0.1 -0.539 40.5 -95.7 -78.0 150.4 35.7 63.2 81.9 7 11 A D - 0 0 74 -2,-0.2 18,-0.1 79,-0.1 -1,-0.1 -0.196 43.8-157.3 -64.6 160.3 38.1 61.4 84.3 8 12 A Q - 0 0 23 -3,-0.1 79,-0.1 16,-0.1 -1,-0.0 -0.974 19.1 -90.3-143.2 156.6 39.8 58.2 83.1 9 13 A P - 0 0 68 0, 0.0 81,-0.1 0, 0.0 3,-0.1 -0.234 27.0-126.6 -65.3 149.3 41.4 55.0 84.6 10 14 A A S S+ 0 0 54 1,-0.2 80,-2.0 79,-0.1 2,-0.3 0.803 91.5 13.9 -65.6 -35.0 45.1 54.7 85.4 11 15 A E E -b 90 0B 69 78,-0.2 2,-0.4 80,-0.0 80,-0.2 -0.998 59.9-160.4-147.6 144.4 45.6 51.5 83.3 12 16 A V E -b 91 0B 26 78,-2.8 80,-1.7 -2,-0.3 2,-0.2 -0.984 14.9-154.4-127.7 117.2 43.5 49.7 80.8 13 17 A L E -b 92 0B 56 -2,-0.4 2,-0.3 78,-0.2 80,-0.2 -0.557 8.8-164.9 -90.2 156.2 44.3 46.0 80.1 14 18 A F E -b 93 0B 3 78,-1.7 80,-2.6 -2,-0.2 2,-0.6 -0.998 19.9-131.2-142.7 143.9 43.5 44.2 76.8 15 19 A R E > -b 94 0B 76 -2,-0.3 3,-2.6 78,-0.2 80,-0.1 -0.854 50.8 -92.3 -93.1 125.3 43.3 40.5 75.8 16 20 A E T 3 S+ 0 0 74 -2,-0.6 50,-0.2 78,-0.5 -1,-0.1 0.044 107.4 5.1 -39.2 135.7 45.3 40.0 72.6 17 21 A N T 3 S+ 0 0 52 48,-2.9 -1,-0.3 1,-0.2 49,-0.1 0.277 101.5 120.3 71.8 -10.0 43.2 40.4 69.4 18 22 A N S < S- 0 0 70 -3,-2.6 -1,-0.2 47,-0.1 46,-0.2 -0.705 72.4-107.9 -90.2 131.2 40.2 41.4 71.4 19 23 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 44,-0.2 -0.331 47.2 170.6 -58.5 124.5 38.6 44.9 70.7 20 24 A T E -G 62 0C 14 42,-1.3 42,-2.8 -2,-0.1 2,-0.4 -0.987 21.4-138.7-138.1 149.2 39.2 47.3 73.6 21 25 A V E -G 61 0C 21 -2,-0.3 2,-0.7 40,-0.2 40,-0.2 -0.865 6.4-151.6-115.2 143.9 38.7 51.0 74.0 22 26 A L E -G 60 0C 0 38,-2.5 38,-1.9 -2,-0.4 69,-0.0 -0.921 38.0-130.0-108.6 97.6 40.7 53.7 75.6 23 27 A E + 0 0 76 -2,-0.7 37,-0.1 36,-0.2 -15,-0.0 0.092 38.2 160.7 -48.3 156.9 38.1 56.2 76.8 24 28 A a + 0 0 2 35,-0.1 34,-3.5 -17,-0.0 35,-0.7 -0.244 11.0 166.9 178.1 81.9 38.0 60.0 76.1 25 29 A I - 0 0 45 32,-0.2 -19,-2.5 33,-0.2 2,-0.7 -0.821 29.8-136.6-108.8 144.7 34.8 61.8 76.5 26 30 A I E -A 5 0A 6 -2,-0.3 -21,-0.3 30,-0.3 4,-0.2 -0.878 20.5-146.6-103.1 107.9 34.2 65.6 76.6 27 31 A E E +A 4 0A 90 -23,-2.6 -23,-1.7 -2,-0.7 2,-0.0 -0.326 62.7 2.7 -67.1 152.0 31.7 66.6 79.3 28 32 A G S S+ 0 0 38 -25,-0.2 2,-1.2 2,-0.1 -26,-0.1 -0.312 122.5 12.3 74.3-155.1 29.5 69.6 78.6 29 33 A N + 0 0 93 -28,-0.2 2,-0.7 1,-0.1 -2,-0.1 -0.455 63.5 176.9 -63.5 91.3 29.4 71.6 75.4 30 34 A D + 0 0 57 -2,-1.2 2,-0.4 -4,-0.2 3,-0.4 -0.338 21.9 145.3 -95.8 52.5 31.4 69.5 72.9 31 35 A Q S S- 0 0 119 -2,-0.7 -2,-0.0 1,-0.2 0, 0.0 -0.768 70.7 -8.1 -95.1 132.5 31.1 71.5 69.8 32 36 A G S S+ 0 0 75 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.728 87.2 149.7 60.3 27.3 33.9 71.7 67.3 33 37 A V - 0 0 22 -3,-0.4 2,-0.5 46,-0.1 46,-0.2 -0.728 33.3-152.6 -91.9 139.5 36.5 69.9 69.5 34 38 A K E -C 78 0B 151 44,-1.8 44,-3.2 -2,-0.3 2,-0.3 -0.960 8.4-149.5-115.0 126.1 39.2 67.9 67.7 35 39 A Y E +C 77 0B 31 -2,-0.5 2,-0.3 42,-0.2 42,-0.2 -0.716 16.6 177.1 -96.7 143.2 40.7 64.9 69.5 36 40 A S E -C 76 0B 56 40,-1.9 40,-2.2 -2,-0.3 2,-0.3 -0.995 14.9-146.8-145.7 138.5 44.3 63.6 69.0 37 41 A W E -C 75 0B 3 7,-0.5 7,-1.8 -2,-0.3 2,-0.4 -0.765 5.3-163.9-106.9 152.0 46.2 60.8 70.7 38 42 A K E -CD 74 43B 93 36,-2.6 36,-2.6 -2,-0.3 2,-0.4 -1.000 8.8-157.9-131.9 129.8 49.9 60.6 71.5 39 43 A K E S-C 73 0B 41 3,-1.7 3,-0.4 -2,-0.4 34,-0.2 -0.933 72.6 -15.6-114.0 136.1 51.5 57.3 72.3 40 44 A D S S- 0 0 103 32,-3.7 2,-0.9 -2,-0.4 -1,-0.2 0.790 125.1 -61.8 47.1 29.8 54.7 56.9 74.3 41 45 A G S S+ 0 0 46 31,-0.4 -1,-0.3 1,-0.3 3,-0.1 -0.455 119.2 92.5 99.1 -64.1 55.3 60.6 73.6 42 46 A K S S- 0 0 171 -2,-0.9 -3,-1.7 -3,-0.4 -1,-0.3 -0.220 91.5 -82.5 -64.1 159.8 55.5 60.7 69.8 43 47 A S B -D 38 0B 64 -5,-0.2 2,-0.6 -3,-0.1 -5,-0.2 -0.403 37.9-135.9 -70.7 136.9 52.2 61.3 67.9 44 48 A Y - 0 0 13 -7,-1.8 2,-0.9 -2,-0.2 -7,-0.5 -0.807 9.7-163.4 -97.6 123.3 49.7 58.5 67.3 45 49 A N > + 0 0 66 -2,-0.6 4,-1.1 1,-0.2 3,-0.4 -0.829 13.6 173.7-101.3 84.9 48.2 58.2 63.8 46 50 A W T >4>S+ 0 0 46 -2,-0.9 5,-0.9 1,-0.2 3,-0.6 0.906 73.2 66.0 -61.2 -42.8 45.2 55.9 64.5 47 51 A Q T 345S+ 0 0 128 1,-0.3 -1,-0.2 -3,-0.2 4,-0.1 0.872 104.7 47.1 -43.8 -45.3 43.8 56.3 60.9 48 52 A E T 345S+ 0 0 133 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.840 110.6 60.2 -67.5 -38.5 47.0 54.4 59.7 49 53 A H T <<5S- 0 0 76 -4,-1.1 2,-0.8 -3,-0.6 -3,-0.0 -0.042 107.1 -85.2 -79.6-170.3 46.8 51.7 62.3 50 54 A N T 5S+ 0 0 39 14,-0.1 13,-1.9 2,-0.0 14,-0.5 -0.352 94.2 98.3 -94.2 51.5 44.1 49.1 62.9 51 55 A A E < -H 62 0C 11 -5,-0.9 2,-0.3 -2,-0.8 11,-0.2 -0.853 50.5-160.3-134.4 169.2 42.0 51.5 65.2 52 56 A A E -H 61 0C 17 9,-2.4 9,-3.3 -2,-0.3 2,-0.4 -0.990 22.7-117.1-150.1 151.2 39.1 53.8 65.0 53 57 A L E -H 60 0C 38 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.758 35.5-111.4 -94.6 135.9 37.7 56.7 67.1 54 58 A R > - 0 0 7 5,-3.2 3,-0.5 -2,-0.4 -1,-0.1 -0.232 40.4-105.0 -56.7 156.6 34.4 56.3 68.8 55 59 A K T 3 S+ 0 0 117 1,-0.2 -1,-0.0 387,-0.1 -2,-0.0 0.959 102.8 16.1 -52.2 -90.7 31.8 58.6 67.2 56 60 A D T 3 S+ 0 0 128 2,-0.0 -30,-0.3 -31,-0.0 2,-0.2 0.184 124.8 55.1 -77.4 21.4 30.9 61.6 69.3 57 61 A E S < S- 0 0 26 -3,-0.5 -32,-0.2 2,-0.1 -22,-0.1 -0.720 84.2-113.9-137.3-172.6 34.0 61.2 71.6 58 62 A G + 0 0 0 -34,-3.5 -33,-0.2 -2,-0.2 18,-0.1 0.447 64.7 136.6-105.0 -4.0 37.8 61.0 71.4 59 63 A S - 0 0 0 -35,-0.7 -5,-3.2 -6,-0.1 2,-0.6 -0.180 48.2-142.3 -47.0 125.5 37.8 57.4 72.7 60 64 A L E -GH 22 53C 0 -38,-1.9 -38,-2.5 -7,-0.2 2,-0.5 -0.845 13.0-159.8 -99.0 119.8 40.2 55.3 70.6 61 65 A V E -GH 21 52C 0 -9,-3.3 -9,-2.4 -2,-0.6 2,-0.6 -0.884 9.2-145.2-103.6 126.3 39.1 51.8 69.9 62 66 A F E -GH 20 51C 3 -42,-2.8 -42,-1.3 -2,-0.5 -11,-0.2 -0.812 5.2-160.2 -89.5 119.6 41.6 49.1 69.0 63 67 A L S S- 0 0 4 -13,-1.9 -12,-0.1 -2,-0.6 -1,-0.1 0.612 86.7 -2.2 -75.4 -14.7 40.0 46.8 66.5 64 68 A R S S- 0 0 76 -14,-0.5 -1,-0.3 -46,-0.2 -46,-0.1 -0.337 80.8-154.3-176.4 81.2 42.5 44.1 67.2 65 69 A P - 0 0 0 0, 0.0 -48,-2.9 0, 0.0 2,-0.2 -0.359 10.0-159.8 -65.9 143.6 45.3 45.0 69.7 66 70 A Q > - 0 0 66 -50,-0.2 3,-1.8 -49,-0.1 4,-0.2 -0.660 36.6-100.8-115.5 173.1 48.6 43.3 69.4 67 71 A A G > S+ 0 0 43 1,-0.3 3,-1.6 -2,-0.2 26,-0.1 0.870 123.6 62.2 -62.9 -32.4 51.3 42.9 72.0 68 72 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.422 89.6 70.4 -72.9 2.6 53.1 45.7 70.1 69 73 A D G < S+ 0 0 19 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.534 71.4 115.7 -95.1 -10.2 50.2 48.0 70.9 70 74 A E < + 0 0 63 -3,-1.6 2,-0.3 -4,-0.2 22,-0.2 -0.125 44.6 93.8 -53.8 156.6 51.1 48.2 74.6 71 75 A G E S- E 0 91B 12 20,-2.6 20,-3.6 2,-0.1 2,-0.6 -0.919 74.1 -54.3 150.5-177.0 52.2 51.6 75.8 72 76 A H E - E 0 90B 103 -2,-0.3 -32,-3.7 18,-0.2 2,-0.4 -0.902 48.9-170.9-103.8 115.9 51.5 54.9 77.4 73 77 A Y E -CE 39 89B 0 16,-3.3 16,-3.5 -2,-0.6 2,-0.4 -0.887 7.0-175.5-112.3 138.1 48.7 56.8 75.7 74 78 A Q E -C 38 0B 45 -36,-2.6 -36,-2.6 -2,-0.4 2,-0.3 -0.980 12.1-147.5-130.4 144.4 47.6 60.4 76.3 75 79 A a E -C 37 0B 0 12,-0.4 11,-2.3 -2,-0.4 2,-0.4 -0.856 7.7-166.4-114.5 147.9 44.7 62.2 74.8 76 80 A F E -CF 36 85B 24 -40,-2.2 -40,-1.9 -2,-0.3 2,-0.6 -0.979 4.0-162.6-136.1 121.1 44.3 65.8 73.8 77 81 A A E -CF 35 84B 0 7,-1.4 7,-2.2 -2,-0.4 2,-0.7 -0.914 12.3-149.4-105.8 118.0 41.0 67.5 73.0 78 82 A E E +CF 34 83B 109 -44,-3.2 -44,-1.8 -2,-0.6 5,-0.2 -0.776 29.4 167.2 -88.0 117.0 41.3 70.9 71.2 79 83 A T E > - F 0 82B 12 3,-3.3 3,-0.8 -2,-0.7 -46,-0.1 -0.760 53.3 -95.3-126.0 170.0 38.5 73.1 72.1 80 84 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -48,-0.0 0.838 125.1 51.0 -52.1 -32.8 37.5 76.8 71.7 81 85 A A T 3 S- 0 0 8 1,-0.2 2,-0.3 -78,-0.1 307,-0.1 0.767 124.8 -87.6 -76.4 -30.2 38.9 77.3 75.3 82 86 A G E < -F 79 0B 14 -3,-0.8 -3,-3.3 287,-0.2 2,-0.5 -0.972 66.4 -33.0 157.2-140.8 42.3 75.7 74.7 83 87 A V E -F 78 0B 24 -2,-0.3 260,-0.2 -5,-0.2 -5,-0.2 -0.902 46.9-160.2-125.6 108.3 43.6 72.1 74.9 84 88 A A E -F 77 0B 0 -7,-2.2 -7,-1.4 -2,-0.5 2,-0.3 -0.404 13.1-157.8 -75.4 156.0 42.3 69.7 77.4 85 89 A S E -F 76 0B 5 -9,-0.2 -9,-0.2 -2,-0.1 2,-0.2 -0.987 9.3-138.4-139.5 147.0 44.5 66.7 78.3 86 90 A S - 0 0 1 -11,-2.3 298,-0.1 -2,-0.3 -79,-0.1 -0.531 38.4 -94.2 -95.1 167.4 43.8 63.2 79.7 87 91 A R - 0 0 37 -2,-0.2 2,-0.7 296,-0.2 -12,-0.4 -0.285 57.2 -85.1 -70.3 170.4 46.1 61.7 82.3 88 92 A V - 0 0 31 -14,-0.1 2,-0.5 -3,-0.1 -14,-0.2 -0.735 50.3-148.3 -82.1 120.1 48.6 59.4 80.7 89 93 A I E - E 0 73B 2 -16,-3.5 -16,-3.3 -2,-0.7 2,-0.6 -0.791 3.2-138.5 -96.6 128.2 46.9 56.0 80.3 90 94 A S E -bE 11 72B 23 -80,-2.0 -78,-2.8 -2,-0.5 2,-0.7 -0.738 14.6-162.4 -86.8 116.1 48.8 52.8 80.6 91 95 A F E +bE 12 71B 0 -20,-3.6 -20,-2.6 -2,-0.6 2,-0.3 -0.878 19.9 169.9-102.2 111.5 47.7 50.2 77.9 92 96 A R E -b 13 0B 71 -80,-1.7 -78,-1.7 -2,-0.7 2,-0.5 -0.859 34.4-115.6-124.7 158.8 48.9 46.7 78.8 93 97 A K E -b 14 0B 38 -2,-0.3 2,-0.3 -80,-0.2 -78,-0.2 -0.802 26.7-151.6 -95.4 126.3 48.3 43.2 77.6 94 98 A T E +b 15 0B 6 -80,-2.6 -78,-0.5 -2,-0.5 2,-0.3 -0.769 29.7 143.0 -96.9 141.5 46.6 40.8 80.0 95 99 A Y E -I 124 0D 80 29,-1.8 29,-1.8 -2,-0.3 2,-0.3 -0.980 37.5-146.0-166.8 166.2 47.2 37.1 79.9 96 100 A L E -I 123 0D 21 -2,-0.3 2,-0.6 27,-0.2 27,-0.2 -0.880 17.7-172.2-146.2 107.4 47.7 33.9 81.9 97 101 A I E +I 122 0D 98 25,-3.4 25,-2.6 -2,-0.3 2,-0.3 -0.914 15.2 159.2-108.4 119.7 50.1 31.3 80.6 98 102 A A - 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