==== 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 20-FEB-96 1SFV . 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) . 6800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 45.2 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 . 2 1.6 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 . 10 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.1 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 0 0 0 0 0 0 0 2 0 0 1 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 . 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 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,-0.9 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 148.2 -7.5 2.5 4.2 2 2 A L H > + 0 0 16 2,-0.2 4,-2.4 3,-0.2 5,-0.1 0.952 360.0 40.2 -93.5 -60.6 -3.9 3.8 4.3 3 3 A W H > S+ 0 0 143 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.794 121.3 49.0 -52.7 -32.6 -3.3 5.0 7.9 4 4 A Q H 4 S+ 0 0 62 2,-0.2 4,-0.3 1,-0.1 -1,-0.2 0.793 113.2 43.0 -83.9 -34.3 -5.3 1.9 9.0 5 5 A F H >X S+ 0 0 0 -4,-0.9 4,-1.4 1,-0.1 3,-0.5 0.772 108.2 65.3 -73.6 -30.6 -3.4 -0.7 6.8 6 6 A R H 3X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.805 91.8 59.2 -53.7 -37.2 -0.1 1.1 7.9 7 7 A S H 3< S+ 0 0 48 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.794 113.1 38.4 -68.1 -28.1 -0.4 0.2 11.6 8 8 A M H X> S+ 0 0 2 -3,-0.5 4,-3.0 -4,-0.3 3,-0.6 0.615 108.0 64.6 -91.2 -28.9 -0.4 -3.5 10.7 9 9 A I H 3X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.927 101.5 51.8 -61.1 -45.7 2.4 -2.7 7.9 10 10 A K H 3< S+ 0 0 92 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.470 112.2 45.1 -70.0 -3.7 4.7 -1.7 10.8 11 11 A a H <4 S+ 0 0 36 -3,-0.6 -2,-0.2 69,-0.2 -1,-0.2 0.748 109.3 55.7 -91.5 -47.3 3.8 -5.2 12.4 12 12 A A H < S+ 0 0 3 -4,-3.0 -2,-0.2 2,-0.0 -3,-0.2 0.833 114.1 43.3 -39.7 -43.3 4.3 -6.8 8.9 13 13 A I S < S- 0 0 27 -4,-2.4 94,-0.1 1,-0.2 95,-0.1 -0.929 95.3-132.4-100.0 124.9 7.8 -5.2 9.1 14 14 A P S S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.976 84.9 117.2 -42.3 -54.4 9.1 -5.9 12.8 15 15 A G S S- 0 0 47 -3,-0.1 -5,-0.1 2,-0.0 -4,-0.0 0.541 75.7-125.2 78.0 178.6 9.7 -2.5 11.9 16 16 A S S S+ 0 0 91 1,-0.4 -6,-0.1 3,-0.1 3,-0.1 0.093 82.5 38.2-157.4 -92.0 8.9 1.2 12.5 17 17 A H - 0 0 79 1,-0.1 4,-0.4 2,-0.1 -1,-0.4 -0.741 63.4-154.6 -76.1 121.1 7.5 3.7 9.9 18 18 A P S S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 0.959 87.9 18.3 -63.8 -47.9 5.0 1.7 7.6 19 19 A L S S+ 0 0 9 3,-0.1 2,-2.0 2,-0.1 -3,-0.1 0.651 107.4 67.3 -72.2-117.0 5.6 4.1 4.7 20 20 A M S S+ 0 0 92 1,-0.4 4,-0.5 2,-0.1 97,-0.2 -0.010 97.8 61.6 4.3 -28.1 8.8 6.3 4.8 21 21 A D S S+ 0 0 34 -2,-2.0 -1,-0.4 -4,-0.4 -2,-0.1 0.325 125.8 20.3 -56.5 -4.4 10.6 3.1 4.4 22 22 A F S S+ 0 0 0 6,-0.1 3,-0.2 7,-0.1 -2,-0.1 0.573 106.4 76.2-139.7 -46.3 8.4 3.4 1.1 23 23 A N S S+ 0 0 42 1,-0.3 2,-0.5 7,-0.1 9,-0.2 0.787 115.4 26.3 -38.2 -44.1 7.3 7.2 0.5 24 24 A N S S+ 0 0 89 -4,-0.5 93,-1.8 8,-0.1 -1,-0.3 -0.956 93.3 118.4-124.1 97.4 10.8 7.9 -0.7 25 25 A Y B >> S-A 116 0A 1 -2,-0.5 2,-1.5 91,-0.3 3,-1.2 -0.730 90.8 -31.6-168.7 107.4 12.1 4.5 -2.0 26 26 A G T 34 S- 0 0 0 89,-0.7 93,-0.7 1,-0.3 94,-0.4 -0.586 130.7 -29.2 78.4 -91.4 13.0 4.2 -5.8 27 27 A b T 34 S- 0 0 6 -2,-1.5 7,-0.3 91,-0.1 -1,-0.3 0.607 125.7 -30.4-121.0 -38.6 10.5 6.6 -7.1 28 28 A Y T X4 - 0 0 7 -3,-1.2 3,-0.8 5,-0.2 4,-0.3 0.545 58.6-168.0-160.2 -28.3 7.4 6.7 -4.7 29 29 A c T 3< S- 0 0 0 -4,-0.9 2,-1.8 1,-0.2 3,-0.4 0.623 75.7 -23.8 -10.9 111.6 6.5 3.4 -2.8 30 30 A G T 3 S+ 0 0 3 1,-0.2 -1,-0.2 12,-0.2 -7,-0.1 -0.379 139.4 17.5 82.4 -62.8 3.1 3.6 -1.2 31 31 A L S < S+ 0 0 69 -2,-1.8 -1,-0.2 -3,-0.8 -2,-0.2 0.831 104.7 43.2-102.6 -82.3 2.9 7.5 -0.9 32 32 A G S S+ 0 0 16 -3,-0.4 -8,-0.1 -4,-0.3 -4,-0.1 0.641 75.7 33.3 -72.6-152.6 4.9 9.9 -2.7 33 33 A G - 0 0 61 1,-0.1 2,-0.3 -10,-0.1 -5,-0.2 0.321 62.6-110.0 47.1-164.6 6.4 10.6 -6.3 34 34 A S + 0 0 109 -7,-0.3 2,-0.5 2,-0.1 -1,-0.1 -0.945 64.8 35.4-165.5 147.2 5.0 10.0 -9.8 35 35 A G S S- 0 0 58 -2,-0.3 89,-0.0 89,-0.1 -8,-0.0 -0.938 96.8 -26.7 121.4-111.6 5.5 7.8 -13.0 36 36 A T - 0 0 85 -2,-0.5 -2,-0.1 1,-0.1 7,-0.1 -0.863 62.8-112.2-137.8 167.0 6.7 4.1 -12.7 37 37 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.191 3.8-142.4 -88.9-154.0 8.8 2.1 -10.0 38 38 A V S S+ 0 0 64 1,-0.3 2,-0.1 -13,-0.1 -12,-0.1 0.484 73.2 47.4-131.9 -59.1 12.3 0.4 -9.8 39 39 A D S > S- 0 0 23 76,-0.1 4,-1.1 73,-0.1 -1,-0.3 -0.342 81.1-112.6 -85.7 162.6 12.0 -2.8 -7.8 40 40 A E H >> S+ 0 0 109 70,-0.5 4,-1.0 2,-0.2 3,-0.6 0.916 127.1 53.2 -51.5 -45.9 9.7 -5.9 -7.7 41 41 A L H 34 S+ 0 0 0 69,-0.6 3,-0.4 1,-0.2 4,-0.3 0.894 105.4 51.3 -56.4 -43.1 8.8 -4.3 -4.3 42 42 A D H >> S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 3,-0.7 0.683 97.2 69.6 -67.9 -20.3 8.1 -0.9 -6.0 43 43 A R H S+ 0 0 54 -2,-1.4 4,-2.1 -3,-0.0 -2,-0.2 -0.243 119.1 52.8 165.6 -60.7 -2.3 3.2 -6.8 50 50 A N H < S+ 0 0 65 -4,-0.8 4,-0.2 1,-0.2 -2,-0.2 0.811 126.8 23.1 -75.5 -38.5 -3.7 1.1 -9.9 51 51 A e T < S+ 0 0 35 -4,-2.9 -1,-0.2 2,-0.1 47,-0.2 0.178 120.5 66.5 -95.7 13.8 -5.9 -1.2 -7.8 52 52 A Y T >4 S+ 0 0 4 -5,-0.2 3,-0.7 46,-0.1 -2,-0.2 0.863 99.4 48.4 -92.2 -46.0 -6.0 1.5 -4.9 53 53 A R G >< S+ 0 0 109 -4,-2.1 3,-2.5 1,-0.2 4,-0.2 0.803 87.8 82.4 -45.1 -48.7 -8.0 4.1 -6.9 54 54 A D G 3> + 0 0 44 1,-0.3 4,-2.7 -4,-0.2 3,-0.3 0.430 66.8 83.4 -70.4 -3.3 -10.8 1.9 -8.3 55 55 A A G <4 S+ 0 0 3 -3,-0.7 -1,-0.3 12,-0.3 11,-0.1 0.716 87.6 60.7 -45.3 -37.4 -12.9 2.2 -5.1 56 56 A K T <4 S+ 0 0 84 -3,-2.5 7,-0.3 11,-0.3 -1,-0.2 0.842 113.6 32.7 -58.3 -44.6 -14.0 5.5 -6.8 57 57 A N T 4 S+ 0 0 86 -3,-0.3 -2,-0.2 -4,-0.2 -1,-0.1 0.793 96.0 148.2 -81.3 -40.6 -15.4 3.6 -9.8 58 58 A L < - 0 0 8 -4,-2.7 -3,-0.1 1,-0.1 33,-0.0 0.647 60.5-127.2 -5.8 139.7 -16.5 0.4 -7.9 59 59 A D S S+ 0 0 173 1,-0.2 3,-0.1 2,-0.0 -1,-0.1 0.726 119.2 28.7 -53.9 -31.7 -19.4 -2.0 -8.5 60 60 A S S S+ 0 0 53 1,-0.2 2,-0.4 -5,-0.0 -1,-0.2 0.627 126.1 44.1-107.8 -26.7 -20.2 -1.4 -4.8 61 61 A f + 0 0 14 30,-0.1 2,-0.3 -6,-0.1 -1,-0.2 -0.906 57.0 141.9-134.1 105.3 -18.9 2.2 -4.3 62 62 A K + 0 0 161 -2,-0.4 2,-0.1 -3,-0.1 -5,-0.1 -0.747 40.3 83.9-144.1 92.5 -19.5 5.0 -6.9 63 63 A F S S- 0 0 137 -7,-0.3 -2,-0.0 -2,-0.3 -7,-0.0 -0.341 83.7 -54.4-150.5-125.0 -20.2 8.6 -5.5 64 64 A L S S+ 0 0 136 -2,-0.1 -8,-0.0 3,-0.0 0, 0.0 0.930 100.6 40.5 -92.1 -62.3 -17.9 11.5 -4.3 65 65 A V S S+ 0 0 103 1,-0.1 2,-0.8 2,-0.1 -9,-0.1 0.889 81.7 76.8 -87.4 -52.5 -15.2 11.1 -1.7 66 66 A D + 0 0 5 1,-0.2 -3,-0.2 -11,-0.1 4,-0.1 -0.526 51.2 132.3 -71.5 100.4 -13.0 7.9 -1.7 67 67 A N S S- 0 0 74 -2,-0.8 -11,-0.3 2,-0.2 -12,-0.3 0.687 73.7 -1.2-116.1 -80.9 -10.4 8.3 -4.5 68 68 A P S S+ 0 0 84 0, 0.0 2,-0.4 0, 0.0 -13,-0.1 0.948 127.7 7.5 -83.8 -52.1 -6.7 7.5 -3.5 69 69 A Y S S+ 0 0 66 1,-0.1 -2,-0.2 -16,-0.0 -16,-0.0 -0.976 96.8 69.5-138.1 110.7 -6.4 6.5 0.3 70 70 A T + 0 0 64 -2,-0.4 -66,-0.1 -3,-0.1 -1,-0.1 0.225 51.8 90.9-175.2 -46.7 -9.4 5.9 2.7 71 71 A E S S+ 0 0 62 20,-0.1 21,-0.1 -70,-0.1 22,-0.1 0.797 70.3 37.6 -53.2 -61.8 -12.1 3.0 2.7 72 72 A S + 0 0 2 20,-0.3 -68,-0.1 19,-0.1 13,-0.1 0.173 44.5 115.0 -92.1-172.1 -11.4 -0.1 4.8 73 73 A Y + 0 0 7 1,-0.1 12,-0.2 -69,-0.1 -68,-0.1 0.532 9.1 145.9 113.4 134.1 -10.1 -1.8 8.0 74 74 A S + 0 0 47 10,-2.5 10,-0.3 -70,-0.0 -1,-0.1 -0.479 51.7 141.4-176.2 82.7 -10.9 -3.8 11.1 75 75 A Y - 0 0 93 1,-0.1 2,-0.2 8,-0.1 10,-0.1 0.390 39.6-142.3-119.8-137.6 -7.9 -6.1 11.5 76 76 A S - 0 0 55 8,-0.1 7,-0.2 2,-0.0 2,-0.1 -0.841 12.0-136.6-171.1-179.3 -5.3 -7.9 13.6 77 77 A a + 0 0 47 -2,-0.2 5,-0.2 5,-0.2 4,-0.1 -0.495 18.2 170.9-168.7 147.5 -1.6 -8.9 13.7 78 78 A S S S- 0 0 94 3,-1.9 4,-0.1 -2,-0.1 -2,-0.0 0.392 78.1 -22.8-103.9-128.1 0.2 -12.2 14.6 79 79 A N S S- 0 0 152 2,-0.1 3,-0.1 3,-0.1 0, 0.0 0.804 132.1 -45.3 -40.1 -44.0 3.9 -12.8 14.0 80 80 A T S S+ 0 0 38 1,-0.1 2,-0.3 2,-0.0 -69,-0.2 0.095 121.5 100.2-175.0 -30.9 3.7 -10.2 11.2 81 81 A E + 0 0 120 1,-0.1 -3,-1.9 -70,-0.1 -4,-0.2 -0.654 41.6 173.6 -99.2 142.8 0.4 -11.3 9.5 82 82 A I - 0 0 19 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.1 0.666 28.8-126.8-114.8-115.8 -3.0 -9.8 10.0 83 83 A T - 0 0 77 -7,-0.2 -1,-0.2 -6,-0.0 -8,-0.1 -0.280 29.4-128.8-173.7-101.3 -6.5 -10.4 8.3 84 84 A g - 0 0 10 -10,-0.3 -10,-2.5 1,-0.1 2,-0.2 -0.494 59.4 -9.0 177.2 -69.3 -8.2 -7.1 6.9 85 85 A N - 0 0 29 -12,-0.2 -1,-0.1 -10,-0.1 -13,-0.0 -0.762 35.9-146.6-136.6 175.9 -11.8 -6.4 7.9 86 86 A S S S+ 0 0 95 -2,-0.2 -11,-0.0 -3,-0.1 0, 0.0 -0.287 89.9 45.2-145.9 58.6 -15.0 -7.8 9.6 87 87 A K S S- 0 0 87 2,-0.1 -2,-0.0 -13,-0.0 -13,-0.0 0.296 76.0-176.3-160.1 -62.0 -17.9 -6.3 7.6 88 88 A N + 0 0 101 2,-0.1 2,-0.2 0, 0.0 3,-0.1 0.887 30.8 146.8 55.8 127.3 -17.5 -6.4 3.7 89 89 A N S S- 0 0 118 -28,-0.0 -2,-0.1 0, 0.0 -28,-0.0 -0.214 75.2 -89.3-129.2-123.1 -19.3 -5.2 0.7 90 90 A A S >>S+ 0 0 21 -2,-0.2 4,-2.9 3,-0.1 5,-0.9 0.519 120.9 77.6-103.9 -44.8 -16.7 -4.3 -2.0 91 91 A f T 45S+ 0 0 20 2,-0.2 4,-0.2 3,-0.2 -19,-0.1 0.764 118.1 11.2 -16.2 -61.5 -16.5 -0.6 -0.7 92 92 A E T >5S+ 0 0 41 -21,-0.1 4,-2.8 3,-0.1 3,-0.4 0.913 133.4 48.9 -88.7 -60.2 -14.3 -1.8 2.3 93 93 A A H >5S+ 0 0 22 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.740 109.9 49.6 -62.3 -31.7 -13.4 -5.4 1.3 94 94 A F H X5S+ 0 0 66 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.893 115.2 45.5 -64.9 -43.3 -12.2 -4.7 -2.3 95 95 A I H >X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 3,-0.6 0.981 115.0 37.9 -57.1 -62.8 -4.1 -3.1 1.1 100 100 A R H 3X S+ 0 0 34 -4,-2.6 4,-0.8 2,-0.3 5,-0.2 0.849 114.1 53.0 -60.3 -41.5 -3.3 -6.6 2.6 101 101 A N H 3X S+ 0 0 102 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.732 110.9 50.7 -69.2 -16.2 -1.7 -8.1 -0.7 102 102 A A H S+ 0 0 37 -4,-0.8 5,-1.8 2,-0.2 4,-0.4 0.592 115.3 41.3 -91.8 -40.2 2.5 -9.1 1.7 105 105 A d H <5S+ 0 0 14 -4,-0.6 -2,-0.2 3,-0.2 -3,-0.2 0.879 121.6 45.7 -66.0 -45.9 4.5 -7.3 -1.0 106 106 A F H <5S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.822 117.4 39.7 -78.3 -34.3 5.6 -4.8 1.7 107 107 A S T <5S- 0 0 39 -4,-1.2 -1,-0.2 -5,-0.2 -3,-0.2 0.815 141.9 -7.0 -68.8 -31.4 6.5 -7.2 4.5 108 108 A K T > 5S+ 0 0 123 -4,-0.4 3,-1.0 -95,-0.1 -3,-0.2 0.736 78.0 132.9-138.2 -73.5 8.1 -9.7 2.0 109 109 A A T 3