==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-APR-03 1OZ6 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: ECHIS CARINATUS; . AUTHOR J.JASTI,M.PARAMASIVAM,A.SRINIVASAN,T.P.SINGH . 120 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 60.8 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 . 5 4.2 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 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 . 7 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 1 0 0 0 0 0 0 1 0 0 1 0 0 1 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 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 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 N > 0 0 28 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 168.5 52.5 5.0 -6.8 2 2 A L H > + 0 0 97 58,-1.7 4,-2.7 1,-0.2 5,-0.1 0.776 360.0 62.0 -61.2 -29.4 55.0 5.7 -4.0 3 3 A Y H > S+ 0 0 154 57,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.943 105.1 45.7 -62.6 -48.4 56.5 8.7 -5.8 4 4 A Q H > S+ 0 0 23 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.919 112.6 51.0 -60.7 -45.1 53.2 10.6 -5.8 5 5 A F H X S+ 0 0 35 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.934 109.7 52.2 -57.4 -44.8 52.8 9.7 -2.1 6 6 A G H X S+ 0 0 14 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.927 107.5 50.5 -56.8 -48.2 56.3 11.0 -1.6 7 7 A R H X S+ 0 0 144 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.944 110.4 50.9 -54.6 -49.9 55.5 14.3 -3.3 8 8 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.947 108.3 49.8 -52.8 -57.4 52.4 14.7 -1.1 9 9 A I H X>S+ 0 0 11 -4,-2.6 4,-3.3 1,-0.2 5,-0.7 0.891 111.2 50.8 -50.1 -45.2 54.3 14.1 2.2 10 10 A W H X5S+ 0 0 134 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.918 110.0 49.2 -61.8 -43.9 56.9 16.7 1.1 11 11 A N H <5S+ 0 0 75 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.934 120.1 36.2 -61.1 -46.0 54.2 19.3 0.3 12 12 A R H <5S+ 0 0 79 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.852 132.4 24.0 -77.3 -39.6 52.4 18.8 3.6 13 13 A T H <5S- 0 0 20 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.803 87.7-136.2 -98.0 -36.3 55.4 18.2 6.0 14 14 A G << + 0 0 48 -4,-1.3 2,-0.3 -5,-0.7 -4,-0.2 0.731 64.3 116.3 85.4 22.6 58.3 19.8 4.2 15 16 A K S S- 0 0 60 -6,-0.4 -1,-0.3 2,-0.0 -2,-0.2 -0.899 80.5 -90.5-124.1 154.2 60.6 16.9 4.9 16 17 A L > - 0 0 85 -2,-0.3 4,-0.8 1,-0.1 5,-0.3 -0.494 44.3-136.2 -65.0 108.4 62.5 14.5 2.7 17 18 A P H >> S+ 0 0 38 0, 0.0 4,-1.2 0, 0.0 3,-0.9 0.808 90.1 28.7 -28.5 -75.4 59.9 11.6 2.4 18 19 A I H 3> S+ 0 0 136 1,-0.2 4,-1.9 3,-0.2 5,-0.2 0.810 117.2 53.7 -69.3 -35.2 62.1 8.5 2.8 19 20 A L H 34 S+ 0 0 111 1,-0.2 -1,-0.2 -3,-0.2 -3,-0.1 0.416 118.7 35.8 -84.5 7.5 64.9 9.7 5.0 20 21 A S H << S+ 0 0 17 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.491 136.8 18.3-126.9 -17.5 62.6 11.1 7.7 21 22 A Y H >< S+ 0 0 11 -4,-1.2 3,-0.9 -5,-0.3 -3,-0.2 0.399 93.5 97.8-133.6 -6.1 59.9 8.5 7.6 22 23 A G T 3< S+ 0 0 27 -4,-1.9 8,-0.2 -5,-0.3 -3,-0.1 0.786 108.4 12.3 -57.7 -29.1 61.5 5.5 5.8 23 24 A S T 3 S+ 0 0 84 -5,-0.2 2,-0.3 6,-0.2 -1,-0.2 -0.010 92.3 142.0-139.9 32.8 62.2 3.9 9.2 24 25 A Y <>> - 0 0 1 -3,-0.9 4,-1.8 84,-0.0 5,-0.7 -0.584 63.9 -36.6 -83.6 134.8 60.2 5.9 11.7 25 26 A G T 45S- 0 0 4 82,-1.9 4,-0.2 -2,-0.3 88,-0.1 -0.070 98.2 -51.1 54.9-152.4 58.4 4.2 14.6 26 27 A a T 45S+ 0 0 13 9,-0.2 7,-0.7 1,-0.1 -1,-0.2 0.528 133.6 30.1 -96.9 -9.6 56.8 0.8 14.3 27 28 A Y T 45S+ 0 0 13 -3,-0.4 -2,-0.2 5,-0.2 4,-0.1 0.546 98.1 73.8-129.7 -7.4 54.7 1.4 11.2 28 29 A b T <5S+ 0 0 23 -4,-1.8 -3,-0.1 2,-0.1 3,-0.1 0.893 92.9 59.8 -76.4 -38.0 56.3 4.0 8.9 29 30 A G S S- 0 0 24 1,-0.1 4,-3.0 69,-0.0 5,-0.2 -0.984 79.0 -65.1-172.5 179.8 53.5 8.5 18.6 39 40 A A H > S+ 0 0 22 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.918 129.1 47.0 -45.7 -56.6 51.0 10.5 16.5 40 41 A T H > S+ 0 0 0 59,-0.3 4,-1.5 1,-0.2 3,-0.5 0.945 113.1 49.4 -51.2 -51.5 53.2 10.4 13.4 41 42 A D H > S+ 0 0 0 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.869 107.6 55.1 -56.8 -38.8 53.7 6.7 13.8 42 43 A R H X S+ 0 0 151 -4,-3.0 4,-2.2 1,-0.2 -1,-0.3 0.854 101.5 58.1 -64.0 -35.0 49.9 6.3 14.2 43 44 A c H X S+ 0 0 2 -4,-2.0 4,-1.7 -3,-0.5 -1,-0.2 0.918 106.3 48.5 -59.8 -43.3 49.5 8.1 10.9 44 45 A b H X S+ 0 0 16 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.718 107.7 56.7 -69.3 -23.0 51.6 5.3 9.3 45 46 A L H >X S+ 0 0 17 -4,-1.1 4,-2.0 -3,-0.2 3,-1.0 0.991 106.8 46.6 -68.7 -65.1 49.5 2.7 11.1 46 47 A V H 3X S+ 0 0 66 -4,-2.2 4,-2.2 1,-0.3 -2,-0.2 0.810 110.0 54.8 -43.3 -41.8 46.3 3.9 9.5 47 48 A H H 3X S+ 0 0 15 -4,-1.7 4,-2.0 2,-0.2 -1,-0.3 0.909 106.9 51.3 -63.2 -41.6 47.9 4.1 6.1 48 49 A D H > - 0 0 64 1,-0.2 4,-3.5 2,-0.0 3,-1.3 -0.779 31.2-166.1-106.3 87.6 48.4 -2.4 -6.5 59 68 A P T 34 S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.720 83.9 42.2 -39.7 -41.9 48.8 0.3 -3.7 60 69 A K T 34 S+ 0 0 121 1,-0.1 -58,-1.7 -59,-0.1 -57,-0.2 0.708 127.9 29.1 -86.2 -20.9 52.5 0.9 -4.2 61 70 A M T <4 S+ 0 0 143 -3,-1.3 2,-0.3 -60,-0.2 -1,-0.1 0.546 84.8 118.7-114.6 -14.5 52.4 0.9 -8.0 62 71 A T < - 0 0 19 -4,-3.5 2,-0.6 1,-0.1 -5,-0.0 -0.395 55.9-144.1 -60.8 118.2 48.9 2.2 -8.8 63 72 A L + 0 0 113 -2,-0.3 2,-0.2 -59,-0.0 19,-0.1 -0.750 28.6 175.0 -86.6 122.2 49.1 5.4 -10.8 64 73 A Y - 0 0 9 -2,-0.6 2,-0.5 -63,-0.1 19,-0.1 -0.697 31.4-106.6-122.8 176.1 46.3 7.7 -9.9 65 74 A S + 0 0 47 -2,-0.2 11,-0.9 2,-0.0 2,-0.3 -0.910 42.3 157.1-108.4 124.6 45.1 11.3 -10.6 66 75 A Y E -A 75 0A 53 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.987 12.1-177.1-143.9 150.2 45.5 14.0 -7.9 67 76 A R E -A 74 0A 132 7,-2.2 7,-2.8 -2,-0.3 2,-0.3 -0.964 25.9-114.6-146.2 161.7 45.6 17.8 -8.1 68 77 A F E -A 73 0A 93 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.780 24.3-177.0 -98.1 142.5 46.1 20.8 -5.9 69 78 A E E > S-A 72 0A 79 3,-2.2 3,-0.9 -2,-0.3 4,-0.0 -0.726 77.1 -28.9-143.6 89.5 43.2 23.3 -5.5 70 79 A N T 3 S- 0 0 168 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.870 127.3 -47.0 69.5 39.7 44.1 26.4 -3.4 71 80 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.2 0, 0.0 2,-0.1 -0.112 115.1 117.7 96.1 -35.4 46.7 24.3 -1.5 72 81 A D E < -A 69 0A 91 -3,-0.9 -3,-2.2 1,-0.1 2,-0.5 -0.329 63.9-127.6 -70.0 145.5 44.3 21.4 -0.9 73 82 A I E -A 68 0A 1 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.825 29.1-172.1 -93.9 125.8 45.0 17.9 -2.3 74 83 A I E -A 67 0A 48 -7,-2.8 -7,-2.2 -2,-0.5 2,-0.8 -0.978 19.0-147.5-126.5 127.1 42.1 16.5 -4.2 75 84 A g E +A 66 0A 5 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.809 19.9 176.7 -92.2 109.9 41.7 13.0 -5.6 76 85 A D + 0 0 55 -11,-0.9 2,-0.4 -2,-0.8 -10,-0.1 -0.478 26.4 133.6-113.3 61.1 39.8 13.2 -8.9 77 86 A N - 0 0 14 -2,-0.3 -2,-0.0 1,-0.1 -13,-0.0 -0.866 42.8-160.8-111.8 143.7 39.7 9.7 -10.2 78 88 A K S S+ 0 0 174 -2,-0.4 -1,-0.1 5,-0.0 3,-0.0 0.716 72.5 91.9 -91.0 -24.6 36.6 7.8 -11.5 79 89 A D S > S- 0 0 67 1,-0.2 4,-2.5 2,-0.0 5,-0.3 -0.612 73.3-145.6 -74.1 116.5 38.3 4.4 -11.0 80 90 A P H > S+ 0 0 102 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.795 96.7 50.7 -51.2 -33.6 37.3 3.2 -7.5 81 91 A f H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.991 112.8 40.1 -70.2 -63.2 40.7 1.5 -7.2 82 92 A K H > S+ 0 0 68 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.799 117.6 52.3 -57.0 -30.6 43.0 4.4 -8.1 83 93 A R H X S+ 0 0 78 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.960 108.8 47.9 -71.0 -50.4 40.7 6.7 -6.1 84 94 A A H X S+ 0 0 40 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.885 113.2 48.7 -55.8 -42.4 40.8 4.6 -3.0 85 95 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.878 110.5 51.8 -66.0 -38.8 44.6 4.3 -3.2 86 96 A g H X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.3 3,-0.3 0.917 107.8 51.0 -64.2 -44.4 44.8 8.1 -3.7 87 97 A E H X S+ 0 0 65 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.804 105.5 57.6 -63.7 -30.4 42.7 8.8 -0.6 88 98 A e H X S+ 0 0 2 -4,-1.4 4,-1.4 -5,-0.2 -1,-0.2 0.868 112.5 39.4 -68.1 -37.4 45.0 6.5 1.4 89 99 A D H X S+ 0 0 0 -4,-1.4 4,-2.9 -3,-0.3 -2,-0.2 0.879 114.2 53.9 -79.2 -38.8 48.0 8.6 0.6 90 100 A R H X S+ 0 0 73 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.967 109.8 47.2 -58.2 -55.0 46.2 11.9 0.9 91 101 A E H X S+ 0 0 71 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.927 114.2 47.1 -51.7 -52.6 44.9 11.1 4.4 92 102 A A H X S+ 0 0 5 -4,-1.4 4,-2.6 1,-0.2 5,-0.3 0.923 109.9 53.4 -57.0 -48.2 48.4 9.9 5.5 93 103 A A H X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.871 112.5 44.2 -56.0 -41.0 50.1 13.0 4.0 94 104 A I H X S+ 0 0 45 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.824 112.1 52.7 -75.2 -31.6 47.7 15.3 5.9 95 105 A c H < S+ 0 0 37 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.876 109.6 48.4 -71.1 -38.5 48.1 13.4 9.1 96 106 A L H >< S+ 0 0 4 -4,-2.6 3,-0.6 1,-0.2 4,-0.2 0.836 110.8 51.9 -71.0 -31.5 51.9 13.6 9.0 97 107 A G H 3< S+ 0 0 20 -4,-1.3 3,-0.4 -5,-0.3 -1,-0.2 0.781 105.8 53.9 -75.0 -26.8 51.7 17.3 8.3 98 108 A E T 3< S+ 0 0 141 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.492 116.9 37.6 -84.5 -4.4 49.4 17.9 11.3 99 109 A N S X S+ 0 0 37 -3,-0.6 3,-1.4 -4,-0.4 -59,-0.3 0.218 77.3 109.4-128.5 10.0 51.9 16.2 13.7 100 110 A V G > S+ 0 0 47 -3,-0.4 3,-1.2 1,-0.3 -2,-0.1 0.771 73.0 68.5 -58.1 -24.7 55.2 17.3 12.2 101 111 A N G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.807 102.3 41.0 -66.3 -32.7 55.5 19.4 15.4 102 112 A T G < S+ 0 0 72 -3,-1.4 2,-0.3 2,-0.0 -1,-0.3 0.161 84.2 135.3-102.4 19.4 55.9 16.4 17.6 103 113 A Y < - 0 0 37 -3,-1.2 2,-0.5 -4,-0.1 -3,-0.1 -0.520 33.9-171.6 -69.0 125.6 58.2 14.7 15.2 104 114 A D > - 0 0 48 -2,-0.3 3,-2.5 1,-0.1 4,-0.1 -0.955 23.4-152.3-127.4 114.0 61.2 13.2 17.0 105 115 A K G > S+ 0 0 130 -2,-0.5 3,-1.4 1,-0.3 4,-0.2 0.621 90.1 80.0 -56.3 -12.7 64.1 11.7 15.1 106 116 A K G >> S+ 0 0 94 1,-0.3 4,-2.5 2,-0.2 3,-0.9 0.648 77.4 71.7 -71.9 -11.9 64.7 9.5 18.1 107 117 A Y G <4 S+ 0 0 53 -3,-2.5 -82,-1.9 1,-0.2 -1,-0.3 0.419 91.9 54.5 -85.2 4.5 61.9 7.3 16.9 108 118 A K G <4 S+ 0 0 82 -3,-1.4 -1,-0.2 -84,-0.2 -2,-0.2 0.339 117.7 36.8-110.8 1.3 64.0 5.9 14.0 109 119 A S T <4 S+ 0 0 95 -3,-0.9 2,-0.5 1,-0.3 -2,-0.2 0.642 118.7 46.1-118.1 -37.1 66.8 5.0 16.5 110 120 A Y < + 0 0 162 -4,-2.5 2,-0.4 2,-0.0 -1,-0.3 -0.959 67.2 164.2-116.2 123.4 64.7 3.8 19.5 111 121 A E - 0 0 92 -2,-0.5 2,-0.4 -3,-0.1 -4,-0.0 -0.994 24.6-173.5-144.1 134.1 61.8 1.4 19.0 112 122 A D + 0 0 103 -2,-0.4 2,-1.0 -77,-0.2 -86,-0.1 -0.709 21.5 168.2-123.5 76.3 59.7 -0.8 21.3 113 125 A a - 0 0 40 -2,-0.4 -79,-0.2 -79,-0.2 -81,-0.1 -0.752 18.0-158.9 -99.1 94.5 57.4 -2.7 18.9 114 126 A T - 0 0 61 -2,-1.0 -2,-0.0 1,-0.1 0, 0.0 0.035 30.2-103.1 -61.6 173.4 55.7 -5.5 20.7 115 127 A E S S+ 0 0 139 -82,-0.1 2,-0.3 -81,-0.1 -1,-0.1 0.489 80.8 116.6 -81.3 -4.1 54.2 -8.6 19.0 116 128 A E - 0 0 95 -83,-0.1 -82,-1.7 1,-0.1 2,-0.7 -0.492 63.9-133.2 -72.2 129.2 50.6 -7.5 19.2 117 129 A V - 0 0 136 -2,-0.3 -84,-0.1 -84,-0.2 -1,-0.1 -0.744 30.3-129.3 -84.8 117.0 48.9 -6.9 15.9 118 130 A Q - 0 0 63 -2,-0.7 2,-0.3 -84,-0.3 -1,-0.1 0.082 25.4 -82.2 -63.4 172.5 47.0 -3.6 16.1 119 131 A E 0 0 175 1,-0.0 -1,-0.1 0, 0.0 -70,-0.1 -0.578 360.0 360.0 -80.6 133.1 43.4 -2.7 15.3 120 133 A d 0 0 107 -2,-0.3 -74,-0.1 -71,-0.1 -70,-0.0 -0.579 360.0 360.0-114.7 360.0 42.4 -2.0 11.6