==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUN-09 3HSW . COMPND 2 MOLECULE: PHOSPHOLIPASE A2, MAJOR ISOENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR K.V.DILEEP,I.TINTU,P.KARTHE,P.K.MANDAL,M.HARIDAS,C.SADASIVAN . 124 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 67.7 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 . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 37.9 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 1 1 0 0 0 0 0 1 0 0 0 0 0 1 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 6 0, 0.0 4,-1.6 0, 0.0 3,-1.4 0.000 360.0 360.0 360.0 150.4 -34.4 7.7 -10.5 2 2 A L H >> + 0 0 83 67,-2.2 4,-2.2 1,-0.3 3,-0.7 0.838 360.0 48.6 -32.6 -60.1 -35.3 11.4 -10.8 3 3 A W H 3> S+ 0 0 140 1,-0.3 4,-2.3 66,-0.2 -1,-0.3 0.855 107.3 55.4 -60.4 -33.2 -38.7 10.9 -12.3 4 4 A Q H <> S+ 0 0 10 -3,-1.4 4,-2.0 2,-0.2 -1,-0.3 0.910 107.2 50.6 -68.2 -32.3 -39.7 8.2 -9.7 5 5 A F H < S- 0 0 44 -4,-3.2 3,-0.7 -5,-0.2 -1,-0.3 -0.780 73.0-178.5-117.0 83.3 -48.6 15.0 -1.2 14 14 A P T 3 S+ 0 0 92 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 0.849 76.2 59.8 -51.7 -42.9 -51.4 14.5 -3.7 15 15 A G T 3 S+ 0 0 85 2,-0.0 2,-0.3 0, 0.0 -5,-0.1 -0.093 95.3 108.6 -79.1 42.0 -52.3 18.2 -4.2 16 16 A S < - 0 0 20 -2,-1.3 -3,-0.0 -3,-0.7 -6,-0.0 -0.882 58.2-157.6-135.7 151.1 -48.8 18.9 -5.5 17 17 A H > - 0 0 83 -2,-0.3 4,-2.6 1,-0.2 3,-0.4 -0.858 20.5-169.4-122.0 93.9 -46.5 19.8 -8.4 18 18 A P H > S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 5,-0.4 0.858 81.8 50.8 -54.7 -58.6 -43.0 18.7 -7.4 19 19 A L H > S+ 0 0 86 1,-0.2 4,-0.6 2,-0.2 -2,-0.0 0.886 122.2 37.4 -44.5 -48.9 -40.7 20.3 -10.1 20 20 A M H 4 S+ 0 0 124 -3,-0.4 -1,-0.2 2,-0.1 -4,-0.0 0.779 123.9 40.3 -75.2 -36.0 -42.6 23.7 -9.4 21 21 A D H < S+ 0 0 37 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.1 0.932 125.6 26.4 -81.9 -50.2 -42.9 23.3 -5.5 22 22 A F H < S+ 0 0 21 -4,-2.8 3,-0.5 -5,-0.2 2,-0.4 0.263 93.2 97.0-108.4 9.6 -39.6 21.8 -4.4 23 23 A N S < S+ 0 0 84 -4,-0.6 94,-0.3 -5,-0.4 7,-0.2 -0.864 98.8 6.1-101.3 137.1 -37.1 22.9 -7.0 24 24 A N S S+ 0 0 79 5,-1.3 93,-4.1 -2,-0.4 2,-0.4 0.979 90.2 147.7 47.0 62.2 -35.1 26.0 -6.0 25 25 A Y B > -AB 29 116A 0 4,-1.7 4,-1.8 -3,-0.5 3,-0.5 -0.999 62.8 -40.4-116.5 127.7 -36.6 26.1 -2.6 26 26 A G T 4 S- 0 0 5 89,-3.8 92,-0.3 -2,-0.4 94,-0.1 -0.085 102.5 -43.8 54.8-149.6 -34.3 27.4 0.2 27 27 A b T 4 S+ 0 0 8 1,-0.1 7,-1.2 9,-0.1 -1,-0.2 0.624 135.0 27.5 -92.6 -20.0 -30.6 26.4 0.2 28 28 A Y T 4 S+ 0 0 28 -3,-0.5 2,-1.2 5,-0.2 21,-0.2 0.347 87.5 96.5-130.5 3.8 -30.8 22.6 -0.6 29 29 A c B < S+A 25 0A 5 -4,-1.8 -4,-1.7 2,-0.1 -5,-1.3 -0.708 88.6 26.1 -95.0 87.5 -33.9 21.9 -2.6 30 30 A G S S- 0 0 24 -2,-1.2 -7,-0.1 2,-0.3 -3,-0.0 -0.901 113.7 -11.9 144.4 179.4 -32.4 22.0 -6.1 31 31 A L S S- 0 0 182 -2,-0.3 -2,-0.1 2,-0.0 2,-0.0 -0.269 115.5 -30.7 -57.9 130.9 -29.0 21.3 -7.7 32 32 A G S S- 0 0 43 -4,-0.1 -2,-0.3 1,-0.0 2,-0.2 -0.283 76.6-134.8 59.1-141.5 -26.2 21.1 -5.1 33 33 A G - 0 0 43 -4,-0.1 2,-0.3 91,-0.0 -5,-0.2 -0.824 14.9-157.9 165.7 157.1 -26.7 23.2 -1.9 34 34 A S + 0 0 38 -7,-1.2 12,-0.0 -2,-0.2 -7,-0.0 -0.986 48.2 2.6-148.6 161.3 -24.8 25.5 0.4 35 35 A G S S- 0 0 40 -2,-0.3 89,-0.1 2,-0.1 88,-0.0 -0.154 101.1 -29.4 69.7-157.4 -24.8 26.9 4.0 36 36 A T S S- 0 0 115 87,-0.2 -9,-0.1 1,-0.0 -2,-0.1 -0.811 72.0-103.9 -97.6 137.9 -27.3 25.9 6.7 37 37 A P - 0 0 25 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.322 20.8-145.0 -59.0 147.2 -30.8 24.9 5.6 38 38 A V S S+ 0 0 51 77,-0.1 2,-0.2 2,-0.0 3,-0.1 0.534 72.1 12.4 -82.5 -5.2 -33.4 27.7 6.2 39 39 A D S > S- 0 0 20 1,-0.1 4,-1.2 76,-0.0 72,-0.1 -0.854 77.0 -98.0-158.7 164.4 -36.3 25.2 7.1 40 40 A E H > S+ 0 0 121 -2,-0.2 4,-2.4 2,-0.2 5,-0.1 0.913 126.9 49.3 -64.8 -49.3 -37.6 21.9 8.0 41 41 A L H >> S+ 0 0 2 69,-0.5 4,-1.4 2,-0.2 3,-0.8 0.988 112.8 44.3 -53.4 -62.3 -38.4 21.6 4.4 42 42 A D H 3> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.824 110.5 58.2 -51.9 -32.7 -34.9 22.7 3.2 43 43 A R H 3X S+ 0 0 108 -4,-1.2 4,-2.8 1,-0.2 -1,-0.3 0.924 100.4 55.1 -63.6 -44.8 -33.5 20.4 5.9 44 44 A d H < S+ 0 0 0 -4,-1.7 3,-1.9 1,-0.2 6,-0.2 0.926 110.6 52.6 -50.3 -53.2 -24.8 5.9 -1.8 56 56 A K H 3< S+ 0 0 100 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.932 109.5 54.1 -48.2 -42.8 -22.4 7.6 -4.2 57 57 A N T 3< S+ 0 0 129 -4,-2.1 2,-0.5 -5,-0.1 -1,-0.3 -0.014 81.8 103.5 -88.0 27.8 -19.8 6.6 -1.4 58 58 A L X - 0 0 61 -3,-1.9 3,-1.2 3,-0.2 -3,-0.0 -0.946 65.3-145.7-106.4 124.2 -20.7 2.8 -1.2 59 59 A D T 3 S+ 0 0 172 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.826 95.7 60.3 -63.9 -28.5 -18.0 0.7 -3.0 60 60 A S T 3 S+ 0 0 98 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.717 95.1 73.5 -72.3 -22.3 -20.5 -1.8 -4.2 61 61 A f < + 0 0 13 -3,-1.2 2,-0.4 -6,-0.2 -3,-0.2 -0.809 49.8 176.3-103.0 122.4 -22.5 0.7 -6.2 62 62 A K - 0 0 148 -2,-0.5 3,-0.1 5,-0.0 -6,-0.1 -0.772 20.9-159.4-125.6 89.1 -21.3 2.2 -9.5 63 63 A F > - 0 0 6 -2,-0.4 3,-1.3 1,-0.1 2,-0.2 -0.233 28.7 -92.5 -67.2 151.7 -24.1 4.5 -10.8 64 64 A L G > S- 0 0 128 1,-0.3 3,-2.0 3,-0.2 6,-0.2 -0.440 110.7 -5.3 -64.4 127.8 -24.5 5.5 -14.4 65 65 A V G 3 S- 0 0 126 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.577 122.6 -82.4 65.4 2.5 -22.7 8.8 -15.1 66 66 A D G < S+ 0 0 85 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.680 99.5 122.7 81.0 26.8 -22.2 8.7 -11.4 67 67 A N X - 0 0 62 -3,-2.0 3,-2.0 1,-0.1 -3,-0.2 -0.977 54.9-153.1-128.6 112.5 -25.5 10.0 -10.5 68 68 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.760 93.8 74.1 -53.8 -24.9 -27.8 8.0 -8.2 69 69 A Y G 3 S+ 0 0 65 1,-0.3 -67,-2.2 -68,-0.1 -66,-0.2 0.616 86.1 63.6 -62.8 -16.9 -30.7 9.8 -9.9 70 70 A T G < S+ 0 0 54 -3,-2.0 2,-0.7 -6,-0.2 -1,-0.3 0.489 83.1 97.4 -81.6 -7.3 -30.0 7.7 -12.9 71 71 A E < - 0 0 41 -3,-2.1 2,-0.3 -4,-0.1 -8,-0.0 -0.784 61.1-155.4-105.3 111.4 -31.0 4.6 -11.0 72 72 A S + 0 0 63 -2,-0.7 20,-0.1 1,-0.1 -2,-0.1 -0.613 17.5 171.1 -82.4 142.9 -34.5 3.3 -11.4 73 73 A Y - 0 0 4 -2,-0.3 12,-0.1 -72,-0.1 -1,-0.1 0.523 33.7-115.2-131.7 -22.4 -35.9 1.2 -8.6 74 74 A S + 0 0 54 10,-0.1 11,-1.2 1,-0.1 2,-0.2 0.913 38.6 167.4 77.6 94.8 -39.5 0.2 -8.6 75 75 A Y E -C 84 0B 48 9,-0.2 2,-0.3 21,-0.0 9,-0.2 -0.779 22.2-136.7-130.1 171.3 -41.8 1.4 -5.9 76 76 A S E -C 83 0B 70 7,-2.2 7,-2.1 -2,-0.2 2,-0.5 -0.959 5.5-155.3-129.9 151.7 -45.5 1.4 -5.2 77 77 A a E +C 82 0B 54 -2,-0.3 2,-0.8 5,-0.2 5,-0.2 -0.855 11.4 177.2-132.2 101.6 -47.9 4.1 -3.9 78 78 A S S S- 0 0 74 3,-1.7 -2,-0.0 -2,-0.5 -67,-0.0 -0.809 72.3 -40.9-107.3 98.8 -51.1 3.2 -2.2 79 79 A N S S- 0 0 125 -2,-0.8 -1,-0.2 1,-0.2 3,-0.1 0.962 124.8 -30.5 55.0 65.2 -52.9 6.3 -0.9 80 80 A T S S+ 0 0 65 -69,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.778 113.8 113.3 70.6 27.2 -50.1 8.4 0.6 81 81 A E - 0 0 113 -70,-0.1 -3,-1.7 2,-0.0 2,-0.3 -0.922 52.2-157.3-132.6 108.9 -48.0 5.3 1.5 82 82 A I E -C 77 0B 5 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.628 9.3-170.2 -82.4 138.2 -44.8 4.8 -0.4 83 83 A T E -C 76 0B 77 -7,-2.1 -7,-2.2 -2,-0.3 2,-0.7 -0.971 13.7-147.3-129.3 120.3 -43.4 1.3 -0.4 84 84 A g E -C 75 0B 28 -2,-0.4 -9,-0.2 -9,-0.2 -10,-0.1 -0.780 32.3-113.9 -83.3 116.5 -39.9 0.4 -1.7 85 85 A N > - 0 0 47 -11,-1.2 3,-1.2 -2,-0.7 11,-0.1 -0.249 14.7-140.4 -44.9 133.6 -40.0 -3.0 -3.3 86 86 A S T 3 S+ 0 0 113 1,-0.3 -1,-0.2 7,-0.0 7,-0.1 0.668 99.0 69.1 -76.4 -19.9 -37.9 -5.5 -1.3 87 87 A K T 3 S+ 0 0 176 -13,-0.1 -1,-0.3 6,-0.0 2,-0.1 0.404 71.4 115.8 -84.1 2.2 -36.6 -7.0 -4.5 88 88 A N S < S- 0 0 15 -3,-1.2 -15,-0.1 -14,-0.1 -14,-0.0 -0.505 76.0-112.6 -56.3 138.2 -34.7 -3.7 -5.2 89 89 A N > - 0 0 82 -2,-0.1 4,-3.4 1,-0.1 5,-0.3 -0.323 39.4 -91.3 -66.4 168.1 -30.9 -4.6 -5.3 90 90 A A H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.844 127.0 44.0 -53.1 -43.0 -29.0 -3.0 -2.4 91 91 A f H > S+ 0 0 19 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.896 115.6 47.3 -71.5 -44.9 -28.0 0.2 -4.3 92 92 A E H > S+ 0 0 44 2,-0.2 4,-4.0 1,-0.2 -2,-0.2 0.880 111.9 51.7 -56.9 -46.0 -31.5 0.7 -5.7 93 93 A A H X S+ 0 0 29 -4,-3.4 4,-2.7 2,-0.2 -2,-0.2 0.903 111.0 48.0 -58.7 -40.5 -33.0 0.0 -2.2 94 94 A F H X S+ 0 0 64 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.971 115.0 43.8 -67.9 -53.3 -30.7 2.7 -0.8 95 95 A I H >X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 3,-1.1 0.980 112.4 54.5 -52.8 -54.8 -31.6 5.2 -3.5 96 96 A g H 3X S+ 0 0 0 -4,-4.0 4,-2.8 1,-0.3 -2,-0.2 0.902 108.6 48.4 -43.8 -53.5 -35.3 4.2 -3.1 97 97 A N H 3X S+ 0 0 68 -4,-2.7 4,-2.0 1,-0.2 -1,-0.3 0.750 106.3 56.3 -63.5 -30.2 -35.2 5.0 0.7 98 98 A e H X S+ 0 0 50 -4,-2.7 3,-1.3 -5,-0.2 4,-1.2 0.927 108.9 48.1 -55.5 -53.5 -40.2 14.4 5.0 106 106 A F H >< S+ 0 0 10 -4,-3.3 3,-0.7 1,-0.3 -1,-0.2 0.901 104.7 61.3 -56.1 -41.3 -41.7 17.0 2.5 107 107 A S H 3< S+ 0 0 44 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.775 113.5 36.4 -57.2 -24.5 -45.2 15.9 3.4 108 108 A K H << S+ 0 0 165 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.483 95.3 94.9-112.1 -10.6 -44.6 16.9 7.0 109 109 A A S << S- 0 0 17 -4,-1.2 2,-0.3 -3,-0.7 -70,-0.0 -0.552 81.4-110.7 -74.9 147.6 -42.4 20.1 6.7 110 110 A P - 0 0 62 0, 0.0 2,-0.6 0, 0.0 -69,-0.5 -0.630 29.5-134.0 -69.8 141.6 -44.2 23.4 6.7 111 111 A Y - 0 0 86 -2,-0.3 2,-0.6 -70,-0.1 3,-0.1 -0.920 18.7-164.9-100.5 121.6 -44.0 25.0 3.3 112 112 A N > - 0 0 58 -2,-0.6 3,-1.4 1,-0.2 4,-0.2 -0.945 13.7-156.0-109.3 117.5 -43.0 28.7 3.5 113 113 A K G > S+ 0 0 171 -2,-0.6 3,-2.3 1,-0.3 -1,-0.2 0.919 88.9 72.1 -56.4 -41.8 -43.7 30.6 0.3 114 114 A E G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.681 95.1 50.6 -40.3 -34.2 -41.0 33.1 1.4 115 115 A H G X S+ 0 0 48 -3,-1.4 -89,-3.8 3,-0.1 3,-0.8 0.323 76.9 112.0 -99.8 4.3 -38.2 30.6 0.7 116 116 A K B < S+B 25 0A 63 -3,-2.3 -91,-0.3 1,-0.3 -92,-0.1 -0.630 95.7 4.5 -71.5 137.5 -39.1 29.5 -2.9 117 117 A N T 3 S- 0 0 109 -93,-4.1 -1,-0.3 -2,-0.3 -92,-0.1 0.940 94.8-170.0 45.5 56.5 -36.4 30.8 -5.3 118 118 A L < - 0 0 32 -3,-0.8 2,-1.7 -92,-0.3 3,-0.1 -0.438 35.7-104.1 -69.7 150.4 -34.3 32.2 -2.3 119 119 A D >> - 0 0 83 1,-0.2 4,-2.2 -2,-0.1 3,-1.0 -0.628 43.0-172.9 -73.0 92.4 -31.4 34.4 -3.1 120 120 A T H 3> S+ 0 0 57 -2,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.807 76.3 58.2 -61.2 -30.6 -28.9 31.7 -2.4 121 121 A K H 34 S+ 0 0 154 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.673 115.2 36.8 -82.1 -8.3 -25.8 33.9 -2.6 122 122 A K H <4 S+ 0 0 148 -3,-1.0 -2,-0.2 2,-0.0 -1,-0.2 0.800 129.6 25.7 -98.1 -42.4 -27.1 36.1 0.2 123 123 A Y H < 0 0 146 -4,-2.2 -87,-0.2 1,-0.2 -3,-0.2 0.431 360.0 360.0-113.7 1.5 -28.8 33.6 2.5 124 124 A b < 0 0 47 -4,-1.5 -1,-0.2 -5,-0.2 -4,-0.1 -0.483 360.0 360.0-124.2 360.0 -27.2 30.2 2.1