==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(CARBOXYL ESTER) 29-NOV-89 3P2P . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR B.W.DIJKSTRA,M.M.G.M.THUNNISSEN,K.H.KALK,J.DRENTH . 238 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 71.0 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 . 18 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 20 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 37.8 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 2 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 . 4 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 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 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 2 0, 0.0 4,-1.0 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 147.7 25.3 1.7 8.6 2 2 A L H 3> + 0 0 39 62,-1.0 4,-1.9 1,-0.2 3,-0.4 0.856 360.0 61.5 -61.0 -36.0 21.7 0.5 8.7 3 3 A W H 3> S+ 0 0 74 61,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.884 102.5 51.8 -60.0 -38.1 20.7 3.1 11.3 4 4 A Q H <> S+ 0 0 7 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.828 103.9 57.6 -70.2 -26.1 21.6 5.8 8.8 5 5 A F H X S+ 0 0 11 -4,-1.0 4,-3.0 -3,-0.4 -2,-0.2 0.933 106.2 49.7 -65.3 -46.3 19.4 4.1 6.1 6 6 A R H X S+ 0 0 51 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.923 112.8 47.5 -57.2 -44.8 16.5 4.4 8.5 7 7 A S H X S+ 0 0 55 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.921 109.5 52.7 -63.8 -43.1 17.4 8.1 9.0 8 8 A M H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 3,-0.4 0.933 108.1 52.3 -56.2 -46.8 17.8 8.6 5.2 9 9 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.882 105.6 53.5 -59.9 -39.7 14.3 7.1 4.9 10 10 A K H < S+ 0 0 123 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.821 109.3 50.8 -66.5 -24.8 12.9 9.5 7.4 11 11 A a H < S+ 0 0 15 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.981 115.9 37.8 -73.8 -51.1 14.4 12.4 5.4 12 12 A A H < S+ 0 0 18 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.779 126.7 35.3 -70.2 -31.5 13.0 11.4 2.0 13 13 A I S >< S- 0 0 38 -4,-2.4 3,-1.7 -5,-0.2 -1,-0.3 -0.779 81.8-160.3-127.8 85.0 9.6 10.2 3.3 14 14 A P T 3 S+ 0 0 94 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.433 78.2 35.5 -69.3 134.2 8.6 12.4 6.1 15 15 A G T 3 S+ 0 0 61 1,-0.3 -5,-0.1 -2,-0.2 0, 0.0 0.129 93.6 136.9 111.5 -22.4 5.9 10.9 8.3 16 16 A S < - 0 0 7 -3,-1.7 -1,-0.3 -7,-0.2 -6,-0.0 -0.001 47.1-159.0 -57.6 157.8 7.5 7.5 7.8 17 17 A H >> - 0 0 105 1,-0.1 4,-2.5 -3,-0.1 3,-2.1 -0.572 14.2-177.4-139.1 69.1 8.2 4.8 10.3 18 18 A P T 34 S+ 0 0 6 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.728 75.8 59.5 -40.1 -45.4 10.9 2.6 8.6 19 19 A L T 34 S+ 0 0 127 1,-0.2 -13,-0.0 2,-0.1 -2,-0.0 0.805 125.3 22.7 -61.4 -25.0 11.3 -0.1 11.2 20 20 A M T <4 S+ 0 0 127 -3,-2.1 -1,-0.2 2,-0.1 -4,-0.0 0.644 124.5 49.1-113.4 -23.5 7.6 -0.9 10.6 21 21 A D S < S+ 0 0 39 -4,-2.5 -2,-0.1 1,-0.2 -5,-0.0 0.982 122.2 26.4 -77.1 -67.2 6.8 0.5 7.2 22 22 A F S S+ 0 0 20 -4,-0.4 2,-0.7 89,-0.1 3,-0.3 0.134 99.9 100.6 -83.3 15.1 9.5 -0.9 5.1 23 23 A N S S+ 0 0 46 1,-0.2 7,-0.2 7,-0.1 6,-0.1 -0.854 90.2 1.0-113.3 118.8 10.3 -3.9 7.1 24 24 A N S S+ 0 0 54 5,-3.5 88,-2.6 -2,-0.7 2,-0.3 0.962 90.6 130.9 78.0 59.2 9.0 -7.2 6.1 25 25 A Y B > -AB 29 111A 0 4,-0.8 4,-1.8 -3,-0.3 3,-0.4 -0.986 61.9 -8.3-140.1 142.6 7.2 -6.3 3.0 26 26 A G T 4 S- 0 0 2 84,-2.8 87,-0.2 -2,-0.3 86,-0.1 -0.212 102.7 -61.5 65.8-161.0 7.5 -8.1 -0.4 27 27 A b T 4 S+ 0 0 5 91,-0.1 7,-0.7 1,-0.1 -1,-0.2 0.508 133.6 30.3-101.2 -8.5 10.1 -10.7 -0.9 28 28 A Y T 4 S+ 0 0 25 -3,-0.4 2,-1.3 5,-0.2 -2,-0.2 0.356 81.2 110.1-131.7 1.5 13.0 -8.5 -0.3 29 29 A c B < S-A 25 0A 5 -4,-1.8 -5,-3.5 -6,-0.1 -4,-0.8 -0.620 90.0 -16.5 -89.0 95.9 12.1 -5.8 2.2 30 30 A G S S+ 0 0 29 -2,-1.3 -7,-0.1 -7,-0.2 -3,-0.0 -0.894 117.5 41.0 119.9-155.9 14.1 -6.6 5.3 31 31 A L S S- 0 0 153 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.1 0.337 115.7 -64.8 13.1 -94.7 15.8 -9.9 6.4 32 32 A G - 0 0 39 -5,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.325 66.5-163.2-141.9 -58.8 17.4 -11.1 3.2 33 33 A G - 0 0 38 -4,-0.1 2,-0.3 1,-0.1 -5,-0.2 0.497 12.2-178.4 73.0 139.0 14.8 -12.0 0.6 34 34 A S + 0 0 86 -7,-0.7 2,-0.3 2,-0.1 -1,-0.1 -0.947 40.1 53.9-158.3 168.7 14.9 -14.1 -2.5 35 35 A G S S- 0 0 36 -2,-0.3 84,-0.1 84,-0.2 -8,-0.0 -0.713 96.0 -19.2 101.5-152.9 12.5 -15.1 -5.2 36 36 A T - 0 0 102 -2,-0.3 -2,-0.1 82,-0.1 2,-0.1 -0.844 65.7-118.4-100.6 122.8 10.4 -12.8 -7.4 37 37 A P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.389 16.5-145.9 -61.9 135.4 9.7 -9.3 -6.3 38 38 A V - 0 0 39 1,-0.1 2,-0.3 72,-0.1 3,-0.1 0.466 65.7 -29.2 -81.0 -10.9 5.9 -8.7 -5.8 39 39 A D S > S- 0 0 16 1,-0.1 4,-1.8 71,-0.0 -1,-0.1 -0.970 82.5 -57.4 176.1-177.6 5.9 -5.1 -7.0 40 40 A E H > S+ 0 0 104 -2,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.850 126.3 45.5 -49.6 -56.5 7.6 -1.7 -7.3 41 41 A L H >> S+ 0 0 2 64,-0.5 4,-1.8 2,-0.2 3,-1.1 0.947 115.3 46.6 -54.1 -59.1 8.4 -1.2 -3.6 42 42 A D H 3> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.826 109.1 58.0 -52.9 -32.4 9.7 -4.8 -3.2 43 43 A R H 3X S+ 0 0 149 -4,-1.8 4,-1.3 2,-0.2 -1,-0.3 0.846 101.2 54.0 -68.9 -35.1 11.6 -4.1 -6.4 44 44 A d H XX S+ 0 0 4 -4,-1.2 4,-1.9 -3,-1.1 3,-0.5 0.962 108.1 51.4 -60.1 -54.9 13.4 -1.1 -4.7 45 45 A c H 3X S+ 0 0 6 -4,-1.8 4,-3.0 1,-0.3 -2,-0.2 0.812 106.3 52.9 -47.4 -45.7 14.5 -3.5 -1.9 46 46 A E H 3X S+ 0 0 46 -4,-1.6 4,-2.9 2,-0.2 -1,-0.3 0.823 108.4 51.2 -66.1 -32.9 15.9 -6.1 -4.3 47 47 A T H X S+ 0 0 33 -4,-2.8 3,-0.8 1,-0.2 4,-0.5 0.953 109.1 49.9 -59.5 -50.7 23.6 -3.0 -4.2 52 52 A Y H >X S+ 0 0 10 -4,-3.3 4,-1.5 1,-0.2 3,-0.7 0.806 105.3 56.9 -53.2 -41.2 24.8 -4.2 -0.8 53 53 A R H 3< S+ 0 0 127 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 107.5 49.2 -61.3 -31.1 26.1 -7.6 -2.2 54 54 A D H X< S+ 0 0 61 -4,-1.3 3,-1.0 -3,-0.8 -1,-0.3 0.608 98.9 69.7 -82.2 -15.3 28.2 -5.5 -4.5 55 55 A A H X< S+ 0 0 0 -3,-0.7 3,-2.5 -4,-0.5 -2,-0.2 0.982 89.5 60.8 -64.2 -53.9 29.3 -3.6 -1.5 56 56 A K T 3< S+ 0 0 124 -4,-1.5 -1,-0.2 1,-0.3 4,-0.2 0.471 82.7 82.2 -52.3 -1.2 31.2 -6.5 -0.2 57 57 A N T < S+ 0 0 112 -3,-1.0 2,-0.5 2,-0.1 -1,-0.3 0.666 79.3 78.2 -81.0 -12.5 33.4 -6.5 -3.4 58 58 A L S X S- 0 0 61 -3,-2.5 3,-1.1 3,-0.2 2,-0.0 -0.847 100.9-101.4 -99.7 126.9 35.4 -3.8 -1.7 59 59 A S T 3 S+ 0 0 129 -2,-0.5 3,-0.1 1,-0.3 27,-0.1 -0.229 102.8 3.0 -50.3 121.3 37.9 -5.1 0.9 60 60 A G T 3 S+ 0 0 39 1,-0.2 2,-0.6 -4,-0.2 -1,-0.3 0.906 90.7 139.0 67.3 43.1 36.6 -4.5 4.4 61 61 A f < + 0 0 1 -3,-1.1 -1,-0.2 -5,-0.1 -3,-0.2 -0.921 19.3 168.2-125.4 99.3 33.3 -3.1 3.3 62 67 A Y >> - 0 0 140 -2,-0.6 4,-1.9 1,-0.1 3,-1.2 -0.962 24.2-153.2-108.3 107.0 30.5 -4.4 5.5 63 68 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -10,-0.0 0.872 89.0 53.4 -59.3 -32.9 27.4 -2.4 4.8 64 69 A Y T 34 S+ 0 0 120 1,-0.2 -62,-1.0 -63,-0.2 -61,-0.3 0.730 117.2 36.7 -72.3 -19.6 25.7 -2.8 8.1 65 70 A T T <4 S+ 0 0 76 -3,-1.2 2,-0.5 -64,-0.2 139,-0.3 0.620 91.7 96.4-103.1 -24.7 28.7 -1.7 10.1 66 71 A E < - 0 0 14 -4,-1.9 2,-0.5 137,-0.1 122,-0.1 -0.653 58.5-155.7 -77.4 117.3 30.2 1.0 8.0 67 72 A S - 0 0 0 -2,-0.5 2,-0.2 120,-0.3 120,-0.2 -0.843 17.0-178.2 -92.9 128.2 29.1 4.6 9.0 68 73 A Y - 0 0 2 -2,-0.5 2,-0.5 19,-0.1 20,-0.0 -0.564 26.5-104.9-117.2 179.5 29.3 7.1 6.2 69 74 A S + 0 0 16 -2,-0.2 11,-1.2 11,-0.2 2,-0.3 -0.930 49.2 137.9-113.9 138.4 28.6 10.9 6.0 70 75 A Y E -C 79 0B 57 -2,-0.5 2,-0.3 9,-0.3 9,-0.2 -0.929 30.4-146.4-160.2 168.6 25.5 12.4 4.5 71 76 A S E -C 78 0B 62 7,-2.0 7,-3.3 -2,-0.3 2,-0.6 -0.937 16.0-126.2-141.2 159.2 23.0 15.2 5.2 72 77 A a E -C 77 0B 52 -2,-0.3 2,-1.6 5,-0.2 5,-0.3 -0.802 17.5-164.4-117.5 93.9 19.3 15.7 4.6 73 78 A S E > -C 76 0B 52 3,-1.2 3,-1.7 -2,-0.6 4,-0.1 -0.505 67.9 -57.3 -75.9 79.2 18.6 19.0 2.9 74 79 A N T 3 S- 0 0 153 -2,-1.6 -1,-0.2 1,-0.3 3,-0.1 0.941 123.6 -23.0 47.1 71.2 14.8 19.5 3.4 75 80 A T T 3 S+ 0 0 77 1,-0.2 -1,-0.3 -3,-0.2 2,-0.3 -0.070 125.0 104.1 89.6 -34.9 13.6 16.2 1.8 76 81 A E E < -C 73 0B 121 -3,-1.7 -3,-1.2 -4,-0.1 2,-0.5 -0.589 60.6-149.1 -85.4 140.7 16.8 16.0 -0.2 77 82 A I E -C 72 0B 7 -5,-0.3 2,-0.5 -2,-0.3 -5,-0.2 -0.951 10.1-168.3-114.7 127.7 19.7 13.7 0.7 78 83 A T E -C 71 0B 75 -7,-3.3 -7,-2.0 -2,-0.5 2,-0.7 -0.964 12.9-147.2-123.0 125.7 23.4 14.4 0.1 79 84 A g E -C 70 0B 26 -2,-0.5 -9,-0.3 -9,-0.2 -2,-0.0 -0.801 34.5-109.3 -89.4 114.4 26.2 12.0 0.3 80 85 A N > - 0 0 54 -11,-1.2 3,-0.9 -2,-0.7 -11,-0.2 -0.033 16.4-142.1 -41.9 132.2 29.4 13.7 1.5 81 86 A S T 3 S+ 0 0 105 1,-0.2 -1,-0.2 -3,-0.0 7,-0.1 0.575 100.0 61.3 -76.4 -11.8 32.0 14.0 -1.3 82 87 A K T 3 S+ 0 0 136 -13,-0.0 -1,-0.2 6,-0.0 41,-0.1 0.493 74.6 121.8 -92.1 -7.7 34.7 13.3 1.2 83 88 A N S < S- 0 0 13 -3,-0.9 103,-0.1 -14,-0.2 -15,-0.1 -0.179 70.7-111.4 -51.2 141.5 33.3 9.8 2.1 84 89 A N > - 0 0 39 101,-0.2 4,-2.5 1,-0.1 5,-0.1 -0.147 39.0 -90.4 -70.7-178.4 35.9 7.2 1.4 85 90 A A H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.941 125.4 42.5 -58.6 -49.6 35.2 4.8 -1.5 86 91 A f H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.920 116.1 48.1 -61.0 -47.9 33.4 2.1 0.5 87 92 A E H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.909 110.1 54.5 -58.6 -45.8 31.4 4.6 2.5 88 93 A A H X S+ 0 0 32 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.911 108.8 48.1 -58.0 -44.9 30.6 6.3 -0.8 89 94 A F H X S+ 0 0 76 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.974 114.4 43.8 -58.6 -62.3 29.3 3.1 -2.3 90 95 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.899 110.4 57.4 -53.7 -42.1 27.1 2.2 0.7 91 96 A g H X S+ 0 0 0 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 0.977 108.3 46.9 -55.7 -49.4 25.9 5.9 0.8 92 97 A N H X S+ 0 0 71 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.847 106.6 57.1 -59.8 -38.5 24.7 5.6 -2.7 93 98 A e H X S+ 0 0 3 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.924 111.6 42.0 -58.4 -49.3 22.9 2.3 -2.2 94 99 A D H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.826 113.7 53.0 -64.4 -37.7 20.8 3.8 0.6 95 100 A R H X S+ 0 0 73 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.884 110.3 45.9 -65.0 -45.9 20.2 7.0 -1.3 96 101 A N H X S+ 0 0 92 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.848 113.9 51.3 -66.2 -36.5 18.9 5.3 -4.5 97 102 A A H X S+ 0 0 5 -4,-1.6 4,-2.7 -5,-0.3 -2,-0.2 0.784 109.4 48.8 -72.0 -33.0 16.7 3.1 -2.3 98 103 A A H < S+ 0 0 0 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.880 113.4 45.6 -76.0 -39.9 15.2 6.0 -0.4 99 104 A I H >X S+ 0 0 50 -4,-1.9 3,-2.2 2,-0.2 4,-1.4 0.989 114.1 51.9 -61.8 -53.6 14.4 7.9 -3.6 100 105 A d H >X S+ 0 0 48 -4,-2.6 4,-1.1 1,-0.3 3,-0.7 0.940 107.4 50.0 -47.2 -63.1 13.0 4.6 -4.9 101 106 A F H 3< S+ 0 0 10 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.654 108.9 56.9 -56.9 -7.3 10.8 3.9 -1.9 102 107 A S H <4 S+ 0 0 59 -3,-2.2 -1,-0.2 -4,-0.4 -2,-0.2 0.891 107.4 42.9 -90.6 -33.8 9.5 7.5 -2.4 103 108 A K H << S+ 0 0 175 -4,-1.4 -2,-0.2 -3,-0.7 -3,-0.1 0.420 102.2 97.2 -84.0 -5.1 8.3 7.1 -6.0 104 109 A A S < S- 0 0 23 -4,-1.1 2,-0.2 -5,-0.3 0, 0.0 -0.719 72.9-125.1 -99.7 142.9 6.8 3.8 -5.1 105 110 A P - 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