==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 10-OCT-00 1G0Z . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS CAERULEUS; . AUTHOR T.P.SINGH,S.GOURINATH,S.SHARMA,G.SINGH . 236 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11568.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 65.3 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 . 14 5.9 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 . 2 0.8 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 . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 36.4 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 2 0 0 0 0 2 0 0 2 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 . 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 N >> 0 0 31 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0-179.9 21.0 17.7 -9.4 2 2 A L H 3> + 0 0 72 60,-1.7 4,-2.2 1,-0.3 5,-0.1 0.839 360.0 53.7 -53.6 -40.9 18.9 18.8 -6.4 3 3 A K H 3> S+ 0 0 134 59,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.868 109.2 49.3 -64.8 -35.4 17.9 15.2 -5.5 4 4 A Q H <> S+ 0 0 25 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.885 108.8 53.5 -70.0 -37.4 21.5 14.2 -5.5 5 5 A F H X S+ 0 0 19 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.906 105.6 53.9 -63.1 -42.8 22.4 17.2 -3.3 6 6 A K H X S+ 0 0 65 -4,-2.2 4,-1.4 1,-0.2 11,-0.3 0.939 111.2 44.6 -58.2 -47.9 19.7 16.2 -0.8 7 7 A N H X S+ 0 0 57 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.872 109.8 55.4 -65.9 -36.6 21.2 12.7 -0.4 8 8 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.897 103.2 59.1 -60.5 -39.7 24.7 14.1 -0.2 9 9 A I H X S+ 0 0 5 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.912 112.2 35.7 -57.4 -46.9 23.5 16.2 2.7 10 10 A Q H < S+ 0 0 77 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.623 112.2 62.8 -84.8 -10.0 22.4 13.2 4.8 11 11 A a H < S+ 0 0 6 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.955 115.8 29.2 -72.5 -50.4 25.4 11.2 3.5 12 12 A A H < S+ 0 0 17 -4,-2.5 2,-0.2 60,-0.1 -2,-0.2 0.719 125.3 37.2 -83.0 -24.0 27.9 13.5 5.0 13 13 A G S < S- 0 0 16 -4,-1.6 87,-0.1 -5,-0.3 84,-0.0 -0.631 70.0-121.6-125.4-176.5 25.9 14.8 8.0 14 14 A T S S+ 0 0 144 -2,-0.2 2,-0.2 86,-0.1 -1,-0.1 0.860 93.9 67.6 -88.0 -44.1 23.4 14.0 10.7 15 17 A R S S- 0 0 62 -6,-0.1 -2,-0.2 84,-0.1 2,-0.1 -0.541 78.6-136.4 -80.6 144.3 20.8 16.5 9.7 16 18 A T > - 0 0 49 -2,-0.2 3,-1.2 -6,-0.1 4,-0.3 -0.307 33.7 -89.3 -90.8 178.0 18.9 16.1 6.4 17 19 A W G > S+ 0 0 89 -11,-0.3 3,-2.3 1,-0.3 -2,-0.0 0.800 120.5 67.0 -60.7 -33.2 18.1 18.8 3.8 18 20 A T G > S+ 0 0 80 1,-0.3 3,-1.2 2,-0.1 4,-0.4 0.830 91.4 66.3 -58.7 -27.3 14.8 19.8 5.4 19 21 A S G < S+ 0 0 25 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.736 104.2 45.0 -63.5 -22.7 16.9 21.0 8.3 20 22 A Y G < S+ 0 0 15 -3,-2.3 -1,-0.3 -4,-0.3 8,-0.2 -0.287 81.5 99.3-117.7 45.4 18.3 23.6 5.8 21 23 A I S < S+ 0 0 35 -3,-1.2 8,-0.4 1,-0.1 -1,-0.1 0.768 99.5 16.7 -97.0 -34.2 15.1 24.8 4.2 22 24 A G S S+ 0 0 38 -4,-0.4 88,-1.6 -3,-0.2 2,-0.4 -0.427 90.1 133.6-137.8 63.5 14.7 28.0 6.3 23 25 A Y B > -A 109 0A 0 4,-0.4 4,-1.6 86,-0.2 3,-0.3 -0.912 62.3 -36.2-119.1 141.4 18.0 28.8 8.0 24 26 A G T 4 S- 0 0 6 84,-2.8 87,-0.4 -2,-0.4 88,-0.3 0.017 96.3 -52.1 50.3-154.9 19.8 32.0 8.3 25 27 A b T 4 S+ 0 0 6 9,-0.1 7,-0.7 86,-0.1 -1,-0.2 0.561 134.0 27.5 -93.4 -12.3 19.9 34.6 5.5 26 28 A Y T 4 S+ 0 0 31 -3,-0.3 2,-0.3 5,-0.2 -2,-0.2 0.587 85.0 103.7-128.5 -13.0 21.0 32.3 2.7 27 29 A c S < S+ 0 0 9 -4,-1.6 -4,-0.4 19,-0.0 2,-0.3 -0.587 86.3 13.4 -75.4 133.4 20.0 28.7 3.3 28 30 A G S S+ 0 0 35 -2,-0.3 2,-0.2 -8,-0.2 -6,-0.1 -0.770 122.5 3.3 102.2-150.6 17.0 27.8 1.1 29 31 A Y S S- 0 0 44 -8,-0.4 18,-0.0 -2,-0.3 144,-0.0 -0.482 109.5 -49.7 -76.8 142.0 16.0 30.0 -1.7 30 32 A G - 0 0 14 -2,-0.2 2,-0.2 1,-0.1 17,-0.1 0.155 67.5-172.9 33.5-138.5 18.0 33.1 -2.6 31 33 A G - 0 0 19 16,-0.0 2,-0.3 81,-0.0 -5,-0.2 -0.584 13.5-145.2 135.7 161.7 18.8 35.4 0.3 32 34 A S + 0 0 43 -7,-0.7 2,-0.2 -2,-0.2 86,-0.0 -0.952 51.1 41.4-152.8 167.9 20.3 38.8 1.2 33 35 A G S S- 0 0 18 -2,-0.3 84,-0.2 85,-0.1 85,-0.1 -0.478 97.7 -32.7 89.7-162.1 22.4 40.5 3.9 34 36 A T - 0 0 96 82,-0.6 -9,-0.1 -2,-0.2 2,-0.1 -0.837 66.4-108.2 -99.4 127.5 25.4 39.1 5.7 35 37 A P - 0 0 22 0, 0.0 6,-0.1 0, 0.0 -2,-0.1 -0.376 29.4-143.5 -54.7 122.4 25.5 35.3 6.4 36 38 A V - 0 0 48 -2,-0.1 2,-0.3 72,-0.1 3,-0.0 0.741 66.4 -9.3 -63.2 -27.3 24.8 35.2 10.1 37 39 A D S > S- 0 0 15 1,-0.1 4,-2.5 71,-0.1 5,-0.2 -0.900 84.7 -71.0-157.3-173.7 27.1 32.3 10.8 38 40 A E H > S+ 0 0 81 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.929 127.2 45.7 -52.9 -53.7 29.3 29.4 9.6 39 41 A L H > S+ 0 0 0 64,-0.4 4,-2.0 1,-0.2 3,-0.3 0.933 112.5 50.4 -57.1 -48.5 26.4 27.3 8.3 40 42 A D H > S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.860 108.6 53.4 -59.9 -34.5 24.8 30.3 6.7 41 43 A R H X S+ 0 0 137 -4,-2.5 4,-2.4 2,-0.2 -1,-0.3 0.852 103.2 57.7 -68.9 -32.0 28.1 31.0 5.0 42 44 A d H X S+ 0 0 3 -4,-1.8 4,-2.1 -3,-0.3 -2,-0.2 0.948 110.4 42.8 -59.5 -48.3 28.0 27.5 3.8 43 45 A c H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.863 109.8 57.6 -65.3 -38.5 24.7 28.2 2.1 44 46 A Y H X S+ 0 0 90 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.917 109.6 44.5 -57.7 -46.7 26.0 31.6 0.8 45 47 A T H X S+ 0 0 80 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.911 111.3 53.3 -66.0 -43.5 28.9 29.9 -1.0 46 48 A H H X S+ 0 0 15 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.905 106.3 52.8 -58.7 -44.1 26.7 27.1 -2.4 47 49 A D H X S+ 0 0 23 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.890 110.5 47.1 -58.4 -43.5 24.3 29.6 -3.9 48 50 A H H X S+ 0 0 81 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.847 109.6 54.7 -67.7 -36.4 27.1 31.4 -5.7 49 51 A e H X S+ 0 0 18 -4,-2.1 4,-1.6 2,-0.2 3,-0.4 0.935 108.9 47.7 -62.8 -48.4 28.5 28.1 -6.9 50 52 A Y H X S+ 0 0 4 -4,-2.7 4,-0.7 1,-0.2 3,-0.3 0.920 111.1 49.6 -59.7 -44.9 25.1 27.2 -8.5 51 53 A N H < S+ 0 0 44 -4,-2.1 -1,-0.2 1,-0.2 4,-0.2 0.739 110.6 51.3 -70.6 -18.0 24.8 30.6 -10.1 52 54 A K H >< S+ 0 0 115 -4,-1.2 3,-1.2 -3,-0.4 -1,-0.2 0.736 96.4 70.1 -85.3 -25.4 28.3 30.2 -11.5 53 55 A A H >< S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.3 -2,-0.2 0.781 87.6 66.0 -61.9 -26.3 27.4 26.8 -12.8 54 56 A A T 3< S+ 0 0 16 -4,-0.7 5,-0.3 1,-0.3 -1,-0.3 0.805 84.5 70.4 -65.5 -29.3 25.2 28.6 -15.4 55 57 A N T < S+ 0 0 65 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.379 86.4 86.7 -73.5 9.4 28.3 30.1 -17.0 56 58 A I S X S- 0 0 35 -3,-1.3 3,-1.2 3,-0.3 177,-0.1 -0.924 93.5-101.5-109.2 135.0 29.0 26.5 -18.2 57 59 A P T 3 S- 0 0 101 0, 0.0 27,-0.1 0, 0.0 3,-0.1 -0.226 100.9 -0.4 -54.9 140.1 27.5 25.3 -21.5 58 60 A G T 3 S+ 0 0 66 1,-0.2 2,-0.5 -4,-0.1 -4,-0.1 0.821 98.8 138.6 45.8 42.1 24.4 23.0 -21.1 59 61 A f < + 0 0 9 -3,-1.2 -3,-0.3 -5,-0.3 -1,-0.2 -0.933 24.4 168.5-124.2 110.0 24.7 23.3 -17.4 60 62 A N >> - 0 0 28 -2,-0.5 4,-2.4 1,-0.1 3,-0.9 -0.972 24.8-150.3-118.7 112.6 21.6 23.7 -15.1 61 63 A P T 34 S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 0.753 91.1 50.2 -52.7 -32.0 22.4 23.2 -11.4 62 64 A L T 34 S+ 0 0 54 -61,-0.2 -60,-1.7 1,-0.1 -59,-0.3 0.756 122.8 24.9 -85.1 -22.8 19.0 21.9 -10.4 63 65 A I T <4 S+ 0 0 84 -3,-0.9 2,-0.3 -62,-0.2 -1,-0.1 0.575 86.8 111.3-117.0 -14.4 18.5 19.2 -13.1 64 66 A K < - 0 0 48 -4,-2.4 2,-0.5 1,-0.1 -5,-0.0 -0.485 57.7-146.8 -67.7 121.5 22.0 18.2 -14.2 65 67 A T - 0 0 90 -2,-0.3 2,-0.2 -64,-0.1 20,-0.1 -0.784 21.4-177.7 -91.5 127.6 22.6 14.6 -13.0 66 68 A Y - 0 0 8 -2,-0.5 2,-0.5 19,-0.1 20,-0.1 -0.595 29.3 -99.6-116.5 179.4 26.2 13.8 -12.1 67 69 A S + 0 0 59 -2,-0.2 11,-2.3 2,-0.0 12,-0.8 -0.897 52.9 141.9-104.5 125.2 28.2 10.8 -10.9 68 70 A Y E -B 77 0B 52 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.983 32.2-145.6-155.5 159.9 28.9 10.4 -7.3 69 71 A T E -B 76 0B 56 7,-2.0 7,-2.3 -2,-0.3 2,-0.5 -0.961 6.5-148.4-130.6 147.8 29.1 7.7 -4.6 70 72 A a E +B 75 0B 57 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.970 18.3 172.1-121.3 119.1 28.3 7.8 -0.9 71 73 A T E > -B 74 0B 94 3,-3.2 3,-3.2 -2,-0.5 4,-0.0 -0.798 66.2 -83.4-119.8 76.9 30.2 5.6 1.5 72 74 A K T 3 S+ 0 0 148 -2,-0.5 -60,-0.1 1,-0.4 -61,-0.1 0.109 115.4 7.3 -29.1 120.5 28.6 7.2 4.6 73 75 A P T 3 S+ 0 0 79 0, 0.0 2,-0.5 0, 0.0 -1,-0.4 -0.922 117.5 85.3 -96.0 19.5 29.8 9.7 5.5 74 76 A N E < -B 71 0B 100 -3,-3.2 -3,-3.2 -63,-0.0 2,-0.4 -0.679 54.1-163.2 -89.7 127.8 32.2 10.0 2.5 75 77 A I E -B 70 0B 7 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.885 5.1-169.5-106.5 133.2 31.1 11.6 -0.7 76 78 A T E -B 69 0B 67 -7,-2.3 -7,-2.0 -2,-0.4 2,-0.6 -0.983 13.8-148.7-127.6 125.1 33.1 11.1 -3.9 77 79 A g E -B 68 0B 38 -2,-0.4 -9,-0.2 -9,-0.2 9,-0.0 -0.820 12.4-171.5 -91.1 121.5 32.5 13.0 -7.2 78 80 A N + 0 0 88 -11,-2.3 -10,-0.2 -2,-0.6 -1,-0.1 0.722 46.0 105.3 -86.0 -25.8 33.4 10.7 -10.1 79 81 A D + 0 0 33 -12,-0.8 -2,-0.1 1,-0.2 -13,-0.0 -0.301 21.3 147.3 -67.2 140.5 33.3 13.0 -13.1 80 82 A T S S+ 0 0 92 -2,-0.1 -1,-0.2 6,-0.0 6,-0.1 0.508 77.6 39.7-130.8 -54.0 36.4 14.3 -14.8 81 83 A S S S+ 0 0 117 1,-0.2 2,-1.6 2,-0.0 3,-0.1 0.935 101.4 71.4 -68.3 -50.5 35.5 14.7 -18.5 82 84 A D > - 0 0 63 1,-0.2 4,-2.9 2,-0.1 5,-0.2 -0.535 67.0-172.8 -72.1 89.5 32.0 16.1 -18.0 83 85 A S H > S+ 0 0 74 -2,-1.6 4,-2.8 1,-0.2 5,-0.2 0.861 81.3 50.7 -53.2 -44.1 33.0 19.6 -16.7 84 86 A f H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.953 113.0 46.4 -60.5 -49.0 29.5 20.6 -15.9 85 87 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.938 114.8 47.4 -57.3 -49.6 28.9 17.4 -13.9 86 88 A R H X S+ 0 0 125 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.897 112.5 48.1 -59.8 -45.9 32.2 17.8 -12.1 87 89 A F H X S+ 0 0 62 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.911 115.7 43.4 -61.8 -46.9 31.8 21.4 -11.2 88 90 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.878 109.9 54.5 -70.0 -39.8 28.3 21.0 -9.8 89 91 A g H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.900 109.9 50.6 -61.5 -36.8 29.0 17.8 -7.9 90 92 A D H X S+ 0 0 81 -4,-1.6 4,-3.0 -5,-0.2 5,-0.3 0.929 106.7 53.1 -65.9 -45.6 31.8 19.8 -6.3 91 93 A e H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.969 115.3 41.2 -50.5 -57.3 29.4 22.6 -5.4 92 94 A D H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.842 114.7 49.8 -60.9 -40.6 27.1 20.1 -3.7 93 95 A R H X S+ 0 0 91 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.931 111.1 50.2 -66.0 -45.2 29.8 18.0 -2.0 94 96 A T H X S+ 0 0 63 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.921 114.3 44.5 -58.7 -45.9 31.4 21.1 -0.6 95 97 A A H X S+ 0 0 4 -4,-2.2 4,-3.2 -5,-0.3 5,-0.3 0.972 111.7 52.1 -63.3 -54.0 28.1 22.3 0.7 96 98 A A H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.887 114.9 42.0 -49.1 -47.2 27.2 18.9 2.1 97 99 A I H X S+ 0 0 60 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.891 112.9 53.7 -69.3 -39.4 30.5 18.6 4.0 98 100 A d H X S+ 0 0 44 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.906 108.6 50.2 -61.2 -42.9 30.3 22.3 5.1 99 101 A F H < S+ 0 0 7 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.913 109.4 51.9 -62.0 -43.3 26.8 21.7 6.6 100 102 A A H < S+ 0 0 33 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.907 114.5 39.9 -61.3 -45.2 28.1 18.6 8.5 101 103 A S H < S+ 0 0 93 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.720 100.4 86.6 -79.5 -22.8 31.0 20.3 10.1 102 104 A A S < S- 0 0 2 -4,-1.8 2,-0.1 -5,-0.2 -65,-0.0 -0.529 83.9-110.0 -82.0 144.5 29.3 23.6 10.9 103 105 A P - 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