==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-FEB-96 1SFW . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR B.VAN DEN BERG,M.TESSARI,R.BOELENS,R.DIJKMAN,R.KAPTEIN, . 124 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 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 . 0 0.0 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 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 . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 2 0 0 0 0 0 0 1 0 0 0 0 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 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 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 A > 0 0 0 0, 0.0 4,-0.8 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 147.3 -7.6 2.5 4.5 2 2 A L H > + 0 0 25 2,-0.2 4,-1.5 3,-0.2 68,-0.0 0.932 360.0 37.5 -94.5 -56.2 -4.0 3.9 4.7 3 3 A W H 4 S+ 0 0 149 2,-0.2 -1,-0.1 1,-0.2 67,-0.0 0.822 121.2 51.2 -57.1 -36.4 -3.5 4.9 8.4 4 4 A Q H 4 S+ 0 0 64 1,-0.2 4,-0.5 68,-0.1 3,-0.4 0.788 111.9 42.9 -79.1 -33.2 -5.6 1.8 9.4 5 5 A F H X S+ 0 0 0 -4,-0.8 4,-1.0 1,-0.2 2,-0.6 0.712 104.9 74.2 -76.0 -21.7 -3.5 -0.6 7.2 6 6 A R T < S+ 0 0 20 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.1 -0.276 88.3 55.7 -84.3 45.0 -0.5 1.5 8.8 7 7 A S T >4 S+ 0 0 53 -2,-0.6 3,-0.7 -3,-0.4 4,-0.3 0.378 114.4 37.5-112.3 -60.2 -0.8 -0.1 12.2 8 8 A M T 3> S+ 0 0 2 -4,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.498 103.1 71.8 -56.6 -21.5 -0.5 -3.6 10.9 9 9 A I H 3X S+ 0 0 0 -4,-1.0 4,-0.9 2,-0.2 -1,-0.2 0.731 101.7 48.4 -72.4 -22.1 2.2 -2.4 8.2 10 10 A K H <4 S+ 0 0 90 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.552 110.8 48.0 -83.7 -20.8 4.5 -2.1 11.4 11 11 A a H 4 S+ 0 0 23 -4,-0.3 -2,-0.2 69,-0.1 -3,-0.1 0.862 111.9 51.6 -71.5 -47.3 3.4 -5.6 12.4 12 12 A A H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.779 118.8 35.8 -52.2 -37.4 4.2 -6.6 8.7 13 13 A I S < S- 0 0 21 -4,-0.9 -1,-0.3 1,-0.2 3,-0.1 -0.957 80.5-158.5-117.1 98.0 7.7 -5.0 9.1 14 14 A P S S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.958 79.6 96.0 -42.6 -54.8 8.5 -5.9 12.9 15 15 A G S S- 0 0 59 -3,-0.1 -5,-0.1 -4,-0.1 2,-0.1 0.462 90.3 -91.4 64.6-148.7 10.4 -3.2 11.8 16 16 A S S S+ 0 0 86 1,-0.4 -3,-0.1 -3,-0.1 0, 0.0 -0.154 87.1 27.5-155.9-109.6 9.8 0.6 12.3 17 17 A H - 0 0 76 1,-0.1 -1,-0.4 -2,-0.1 4,-0.3 -0.540 63.1-145.2 -67.3 134.2 8.0 3.3 10.0 18 18 A P S S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 0.985 90.1 15.6 -67.0 -56.3 5.2 1.5 7.8 19 19 A L S S+ 0 0 10 3,-0.1 2,-2.0 2,-0.1 11,-0.1 0.711 108.0 69.2 -68.2-115.3 5.8 3.8 4.8 20 20 A M S S+ 0 0 93 1,-0.4 4,-0.4 2,-0.1 5,-0.4 0.008 96.2 62.0 5.2 -29.2 9.0 5.9 4.8 21 21 A D S S+ 0 0 31 -2,-2.0 -1,-0.4 -4,-0.3 -2,-0.1 0.339 126.8 17.9 -54.9 -5.8 10.8 2.7 4.3 22 22 A F S S+ 0 0 0 3,-0.1 5,-0.2 7,-0.1 -2,-0.1 0.563 104.0 84.1-141.0 -44.0 8.5 3.1 1.2 23 23 A N S S+ 0 0 39 8,-0.1 10,-0.6 7,-0.1 9,-0.6 0.789 115.5 13.1 -33.2 -55.0 7.3 6.9 0.7 24 24 A N S S+ 0 0 88 -4,-0.4 5,-0.4 8,-0.2 3,-0.3 0.905 100.2 118.4 -85.8 -83.3 10.5 8.0 -1.1 25 25 A Y S S- 0 0 0 -5,-0.4 94,-0.5 1,-0.2 91,-0.2 0.191 86.4 -17.1 43.4-165.1 12.2 4.5 -2.0 26 26 A G S S- 0 0 0 89,-0.6 -1,-0.2 1,-0.1 90,-0.1 0.761 134.9 -37.3 -32.3 -51.3 12.9 3.4 -5.7 27 27 A b S S- 0 0 4 -3,-0.3 6,-0.5 -5,-0.2 7,-0.2 0.384 120.7 -28.3-135.2 -48.1 10.5 5.9 -7.0 28 28 A Y - 0 0 3 4,-0.2 -3,-0.2 5,-0.1 -4,-0.1 0.335 61.2-170.2-163.4 7.6 7.4 6.4 -4.8 29 29 A c S S- 0 0 0 -5,-0.4 2,-1.7 1,-0.2 3,-0.4 0.172 71.2 -30.0 -49.2 111.7 6.4 3.3 -2.8 30 30 A G S S+ 0 0 0 1,-0.2 -1,-0.2 18,-0.2 -7,-0.1 -0.442 136.9 18.1 84.5 -67.2 3.0 3.7 -1.1 31 31 A L S S+ 0 0 70 -2,-1.7 -1,-0.2 18,-0.0 -2,-0.1 0.907 106.0 47.4 -96.8 -75.2 3.0 7.5 -0.6 32 32 A G S S+ 0 0 35 -9,-0.6 -4,-0.2 -3,-0.4 -8,-0.2 0.926 84.6 21.3 -64.1 -94.1 5.2 9.8 -2.3 33 33 A G - 0 0 40 -10,-0.6 2,-0.3 -6,-0.5 -5,-0.1 0.536 57.2-124.8 -67.6-156.4 6.1 10.3 -6.1 34 34 A S + 0 0 112 -7,-0.2 2,-0.4 2,-0.1 -1,-0.1 -0.989 58.6 57.0-159.0 146.9 4.6 9.3 -9.5 35 35 A G S S- 0 0 46 -2,-0.3 89,-0.0 89,-0.1 -8,-0.0 -0.943 95.9 -32.5 139.9-112.2 5.4 7.4 -12.8 36 36 A T - 0 0 82 -2,-0.4 -2,-0.1 1,-0.1 7,-0.1 -0.883 63.3-117.1-135.0 165.8 6.5 3.7 -12.8 37 37 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.211 3.6-140.3 -88.1-151.7 8.6 1.8 -10.0 38 38 A V S S+ 0 0 67 1,-0.3 2,-0.1 77,-0.0 86,-0.0 0.472 73.2 47.3-132.2 -58.8 12.0 -0.0 -9.9 39 39 A D S > S- 0 0 23 76,-0.1 4,-1.3 73,-0.1 -1,-0.3 -0.352 81.3-112.3 -87.3 162.6 11.7 -3.2 -7.7 40 40 A E H > S+ 0 0 114 70,-0.5 4,-1.0 2,-0.2 3,-0.4 0.917 127.5 52.7 -51.2 -45.4 9.3 -6.2 -7.6 41 41 A L H 4 S+ 0 0 0 69,-0.6 3,-0.4 1,-0.2 4,-0.2 0.897 105.6 50.9 -57.7 -43.7 8.6 -4.5 -4.2 42 42 A D H >> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 3,-0.9 0.709 98.5 69.0 -66.5 -21.8 8.0 -1.1 -5.9 43 43 A R H 3X S+ 0 0 119 -4,-1.3 4,-1.7 -3,-0.4 3,-0.3 0.869 91.9 57.3 -64.0 -42.9 5.5 -2.8 -8.4 44 44 A d H 3< S+ 0 0 27 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.530 105.6 53.7 -65.4 -8.0 2.9 -3.4 -5.5 45 45 A c H <4 S+ 0 0 0 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.663 101.2 55.6 -90.3 -28.3 3.1 0.4 -5.1 46 46 A E H X S+ 0 0 33 -4,-1.0 4,-1.3 -3,-0.3 -2,-0.2 0.885 120.3 34.7 -59.1 -38.0 2.3 1.0 -8.9 47 47 A T H X S+ 0 0 71 -4,-1.7 4,-2.8 2,-0.2 2,-1.3 0.597 103.6 70.9 -90.8 -17.5 -0.8 -1.1 -7.9 48 48 A H H 4 S+ 0 0 1 -5,-0.2 -18,-0.2 2,-0.2 -1,-0.2 -0.612 116.4 30.5 -89.6 70.8 -1.1 0.3 -4.3 49 49 A D H > S+ 0 0 38 -2,-1.3 4,-2.1 -3,-0.1 -2,-0.2 -0.276 124.5 47.8 165.5 -64.9 -2.2 3.3 -6.3 50 50 A N H < S+ 0 0 66 -4,-1.3 4,-0.3 1,-0.2 -3,-0.2 0.786 127.0 26.2 -81.9 -33.2 -3.8 1.3 -9.4 51 51 A e T < S+ 0 0 43 -4,-2.8 -1,-0.2 2,-0.1 47,-0.2 0.344 119.9 65.5 -89.7 1.9 -5.9 -1.2 -7.3 52 52 A Y T >4 S+ 0 0 1 -5,-0.3 3,-0.6 1,-0.1 -2,-0.2 0.924 101.1 44.9 -89.2 -48.0 -6.0 1.5 -4.5 53 53 A R G >< S+ 0 0 86 -4,-2.1 3,-2.9 1,-0.2 13,-0.1 0.821 85.6 91.3 -41.7 -50.7 -8.1 4.2 -6.3 54 54 A D G >> + 0 0 49 1,-0.3 4,-1.2 -4,-0.3 3,-0.6 0.343 63.4 80.2 -68.1 -0.3 -10.8 2.0 -7.8 55 55 A A G <4 S+ 0 0 2 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.1 0.821 88.6 63.8 -46.5 -43.2 -13.2 2.3 -5.0 56 56 A K G <4 S+ 0 0 96 -3,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.746 114.0 29.4 -48.8 -36.0 -13.8 5.6 -6.9 57 57 A N T <4 S+ 0 0 114 -3,-0.6 -2,-0.2 -4,-0.1 -1,-0.2 0.545 96.3 152.8-100.0 -16.9 -15.1 3.6 -9.9 58 58 A L < - 0 0 2 -4,-1.2 -3,-0.1 5,-0.1 33,-0.0 0.374 51.1-143.7 -37.3 140.9 -16.5 0.5 -7.9 59 59 A D S S+ 0 0 152 1,-0.2 3,-0.2 3,-0.0 -1,-0.1 0.772 113.4 35.3 -60.2 -36.7 -19.3 -1.9 -8.8 60 60 A S S S+ 0 0 58 1,-0.2 2,-0.5 2,-0.0 -1,-0.2 0.687 124.5 44.0 -95.5 -28.1 -20.1 -1.9 -5.0 61 61 A f + 0 0 23 1,-0.1 -1,-0.2 -6,-0.1 5,-0.1 -0.844 64.9 172.2-121.5 92.6 -19.2 1.9 -4.5 62 62 A K + 0 0 166 -2,-0.5 -1,-0.1 -3,-0.2 -2,-0.0 0.810 42.7 107.5 -67.9 -34.7 -20.7 3.8 -7.5 63 63 A F - 0 0 147 1,-0.1 3,-0.3 2,-0.1 -5,-0.1 -0.020 66.5-133.0 -49.7 146.1 -19.9 7.4 -6.0 64 64 A L S S+ 0 0 124 1,-0.2 2,-0.9 -7,-0.1 3,-0.3 0.889 84.0 56.5 -55.9 -55.0 -17.1 9.6 -7.5 65 65 A V + 0 0 104 1,-0.2 -1,-0.2 2,-0.0 -2,-0.1 -0.568 49.1 127.3-120.4 69.5 -15.2 11.0 -4.5 66 66 A D - 0 0 15 -2,-0.9 -1,-0.2 -3,-0.3 -2,-0.1 0.799 63.0-128.7 -78.1 -42.3 -13.7 8.4 -2.3 67 67 A N - 0 0 110 -3,-0.3 4,-0.3 1,-0.1 -12,-0.1 0.642 22.4-105.0 83.6 120.7 -10.0 9.6 -2.3 68 68 A P S S+ 0 0 62 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.534 112.2 51.7 -54.1 -11.8 -7.3 6.9 -3.1 69 69 A Y S S+ 0 0 72 1,-0.1 -66,-0.1 -3,-0.1 -16,-0.1 -0.915 98.9 55.9-123.0 96.3 -6.1 6.6 0.5 70 70 A T + 0 0 43 -2,-0.5 -66,-0.1 22,-0.1 -3,-0.1 0.346 58.5 91.2-172.5 -46.3 -9.2 6.0 2.9 71 71 A E + 0 0 70 -4,-0.3 22,-0.1 -70,-0.1 21,-0.1 0.774 69.3 33.3 -61.4 -52.7 -12.0 3.3 2.9 72 72 A S + 0 0 3 20,-0.3 -68,-0.1 19,-0.1 21,-0.1 0.185 42.4 118.0-100.2-165.5 -11.6 0.1 5.0 73 73 A Y + 0 0 11 1,-0.1 12,-0.2 -69,-0.0 -68,-0.1 0.512 9.7 154.5 109.0 137.7 -10.3 -2.0 8.0 74 74 A S + 0 0 39 10,-2.5 10,-0.2 -70,-0.1 -1,-0.1 -0.380 50.8 150.5-174.2 70.0 -11.2 -4.1 11.0 75 75 A Y - 0 0 89 1,-0.1 2,-0.2 -71,-0.1 10,-0.1 0.598 36.6-145.9-103.4-136.5 -8.1 -6.3 11.4 76 76 A S - 0 0 56 8,-0.0 7,-0.2 2,-0.0 2,-0.2 -0.774 11.4-136.4-170.6-169.3 -5.6 -8.3 13.5 77 77 A a + 0 0 68 5,-0.2 5,-0.2 -2,-0.2 2,-0.1 -0.536 21.3 161.7 175.4 145.4 -1.9 -9.2 13.8 78 78 A S S S- 0 0 88 3,-1.0 4,-0.1 -2,-0.2 -2,-0.0 0.023 75.4 -18.8-124.3-135.0 0.0 -12.4 14.6 79 79 A N S S- 0 0 148 1,-0.1 3,-0.1 -2,-0.1 0, 0.0 0.673 132.0 -47.2 -37.5 -34.1 3.7 -13.3 13.9 80 80 A T S S+ 0 0 34 1,-0.2 2,-0.3 -67,-0.1 -1,-0.1 0.040 122.8 100.7 166.3 -7.4 3.8 -10.4 11.4 81 81 A E + 0 0 101 1,-0.1 -3,-1.0 -70,-0.1 -4,-0.2 -0.831 42.0 175.7-117.3 146.1 0.4 -11.4 9.6 82 82 A I - 0 0 22 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.1 0.605 27.6-127.4-115.6-119.2 -3.1 -9.9 10.0 83 83 A T - 0 0 79 -7,-0.2 -1,-0.2 1,-0.0 -8,-0.1 -0.210 29.1-128.1-170.2 -98.3 -6.5 -10.6 8.2 84 84 A g - 0 0 15 -10,-0.2 -10,-2.5 -2,-0.1 2,-0.2 -0.527 60.6 -18.4 175.1 -70.4 -8.3 -7.3 6.8 85 85 A N - 0 0 28 -12,-0.2 -1,-0.1 -10,-0.1 -10,-0.0 -0.775 38.2-139.4-142.2-179.2 -11.9 -6.8 7.9 86 86 A S S S+ 0 0 89 -2,-0.2 -11,-0.0 -3,-0.1 0, 0.0 -0.281 89.3 46.6-147.1 58.3 -15.1 -8.6 9.3 87 87 A K S S- 0 0 110 2,-0.0 -2,-0.0 -13,-0.0 -13,-0.0 0.288 75.6-156.8-158.6 -65.1 -18.1 -7.1 7.4 88 88 A N + 0 0 115 1,-0.2 2,-0.4 2,-0.1 3,-0.0 0.991 34.4 147.9 61.7 84.3 -17.6 -6.9 3.5 89 89 A N >> - 0 0 109 1,-0.0 3,-1.8 -28,-0.0 4,-1.7 -0.952 59.4-117.4-110.5 142.6 -19.4 -4.6 1.1 90 90 A A H 3>>S+ 0 0 29 -2,-0.4 4,-2.1 1,-0.3 5,-1.0 0.853 108.6 79.9 -55.1 -37.6 -16.6 -3.9 -1.7 91 91 A f H 345S+ 0 0 29 2,-0.2 -1,-0.3 3,-0.1 -20,-0.1 0.782 119.9 8.0 -18.7 -56.1 -16.7 -0.2 -0.7 92 92 A E H X>5S+ 0 0 52 -3,-1.8 4,-2.3 -21,-0.1 3,-1.0 0.806 134.5 50.7 -94.3 -65.8 -14.4 -1.2 2.2 93 93 A A H 3X5S+ 0 0 19 -4,-1.7 4,-1.2 1,-0.3 -3,-0.2 0.648 106.5 52.9 -57.7 -27.7 -13.5 -4.9 1.6 94 94 A F H 3X5S+ 0 0 69 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.3 0.896 114.9 43.1 -66.0 -42.8 -12.4 -4.5 -2.1 95 95 A I H <>S+ 0 0 37 -4,-0.9 5,-1.9 2,-0.2 4,-0.6 0.616 114.0 42.7 -89.6 -40.9 2.3 -9.1 1.9 105 105 A d H <5S+ 0 0 13 -4,-0.7 -2,-0.2 3,-0.2 -3,-0.1 0.876 120.5 46.5 -64.5 -45.1 4.4 -7.4 -0.8 106 106 A F H <5S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.870 116.6 40.2 -75.9 -39.2 5.5 -4.9 1.9 107 107 A S H <5S- 0 0 39 -4,-1.5 -1,-0.2 -5,-0.2 -3,-0.2 0.835 142.8 -9.4 -65.1 -33.5 6.3 -7.4 4.7 108 108 A K T ><5S+ 0 0 103 -4,-0.6 3,-1.0 -95,-0.0 -3,-0.2 0.721 78.3 136.2-137.9 -72.1 7.9 -9.8 2.2 109 109 A A T 3