==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-12 4DOT . COMPND 2 MOLECULE: GROUP XVI PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.D.KISER,M.GOLCZAK,A.E.SEARS,D.T.LODOWSKI,K.PALCZEWSKI . 102 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 68.6 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 . 26 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 0 1 0 0 0 0 1 0 0 1 0 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 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 6 A P 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.8 7.5 23.3 2.0 2 7 A E - 0 0 131 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.579 360.0-121.6 -77.4 135.2 8.0 25.9 4.8 3 8 A P - 0 0 6 0, 0.0 23,-0.1 0, 0.0 -1,-0.1 -0.277 23.5-117.1 -63.2 157.3 9.6 29.3 3.7 4 9 A K > - 0 0 143 1,-0.1 3,-2.0 20,-0.1 18,-0.2 -0.740 45.0 -83.7 -86.4 149.8 12.8 30.5 5.4 5 10 A P T 3 S+ 0 0 58 0, 0.0 18,-0.2 0, 0.0 -1,-0.1 -0.290 119.5 27.3 -46.5 132.7 12.7 33.8 7.4 6 11 A G T 3 S+ 0 0 0 16,-3.4 2,-0.2 1,-0.3 17,-0.1 0.207 87.5 139.6 91.4 -12.8 13.1 36.8 5.0 7 12 A D < - 0 0 16 -3,-2.0 15,-3.0 15,-0.1 2,-0.3 -0.418 54.2-124.4 -67.1 135.0 11.6 34.9 2.0 8 13 A L E -A 21 0A 0 13,-0.2 47,-2.8 -2,-0.2 2,-0.5 -0.633 23.5-149.8 -79.0 134.8 9.2 36.9 -0.3 9 14 A I E -AB 20 54A 0 11,-3.3 11,-2.2 -2,-0.3 2,-0.6 -0.950 4.6-158.3-116.8 121.3 5.8 35.2 -0.6 10 15 A E E -AB 19 53A 11 43,-3.2 43,-2.1 -2,-0.5 2,-0.6 -0.923 10.5-158.7-101.9 117.2 3.8 35.6 -3.8 11 16 A I E -AB 18 52A 0 7,-3.7 7,-2.4 -2,-0.6 2,-1.9 -0.892 9.2-148.1-107.6 119.2 0.1 34.9 -3.2 12 17 A F E +AB 17 51A 79 39,-2.5 39,-0.5 -2,-0.6 5,-0.2 -0.473 27.3 173.7 -90.0 70.8 -2.0 34.0 -6.3 13 18 A R E > -A 16 0A 52 -2,-1.9 3,-1.9 3,-0.9 34,-0.0 -0.420 51.9 -76.4 -70.5 149.6 -5.4 35.5 -5.3 14 19 A P T 3 S- 0 0 86 0, 0.0 -1,-0.1 0, 0.0 36,-0.0 -0.331 113.9 -9.5 -53.7 122.7 -8.0 35.4 -7.9 15 20 A F T 3 S+ 0 0 220 -3,-0.1 2,-0.3 -2,-0.0 -3,-0.0 0.402 131.2 60.2 64.5 6.4 -7.2 38.2 -10.5 16 21 A Y E < S-A 13 0A 119 -3,-1.9 -3,-0.9 71,-0.0 2,-0.3 -0.954 71.6-131.0-157.1 149.0 -4.5 39.7 -8.3 17 22 A R E -A 12 0A 81 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.714 19.4-161.6 -90.5 137.0 -1.2 38.9 -6.7 18 23 A H E -A 11 0A 8 -7,-2.4 -7,-3.7 -2,-0.3 2,-0.4 -0.930 7.7-148.2-113.1 144.9 -0.6 39.7 -3.1 19 24 A W E +A 10 0A 0 -2,-0.4 12,-0.5 -9,-0.2 2,-0.3 -0.922 20.2 164.7-114.9 143.7 2.9 39.9 -1.5 20 25 A A E -A 9 0A 0 -11,-2.2 -11,-3.3 -2,-0.4 2,-0.4 -0.886 28.7-130.2-140.1 169.5 4.1 39.1 2.0 21 26 A I E -AC 8 29A 0 8,-2.1 8,-2.6 -2,-0.3 2,-0.3 -0.998 24.6-127.2-127.4 126.2 7.5 38.5 3.7 22 27 A Y E + C 0 28A 4 -15,-3.0 -16,-3.4 -2,-0.4 6,-0.3 -0.602 26.8 177.1 -76.2 134.3 8.0 35.4 5.9 23 28 A V E - 0 0 10 4,-3.2 5,-0.2 1,-0.3 -1,-0.1 0.345 49.5 -95.0-120.5 0.8 9.3 36.3 9.3 24 29 A G E > S+ C 0 27A 7 3,-1.1 3,-2.0 -20,-0.1 -1,-0.3 -0.189 94.4 58.9 111.8 162.1 9.3 32.8 10.8 25 30 A D T 3 S- 0 0 147 1,-0.3 3,-0.1 -2,-0.1 -3,-0.0 0.744 130.2 -50.2 55.5 32.8 7.2 30.5 13.0 26 31 A G T 3 S+ 0 0 24 1,-0.3 17,-3.2 -23,-0.1 18,-0.5 0.429 110.2 126.7 88.6 3.3 4.2 30.6 10.5 27 32 A Y E < -CD 24 42A 87 -3,-2.0 -4,-3.2 15,-0.3 -3,-1.1 -0.740 37.1-173.7-107.6 141.6 4.2 34.4 10.3 28 33 A V E -CD 22 41A 0 13,-3.3 13,-2.6 -2,-0.3 2,-0.4 -0.888 16.7-143.6-119.1 151.8 4.3 36.9 7.5 29 34 A V E +CD 21 40A 0 -8,-2.6 -8,-2.1 -2,-0.3 2,-0.3 -0.960 40.0 144.9-109.5 136.9 4.6 40.7 7.6 30 35 A H E - D 0 39A 3 9,-1.9 9,-3.2 -2,-0.4 2,-0.5 -0.975 52.2 -92.3-162.8 163.8 2.5 42.4 4.8 31 36 A L E + D 0 38A 1 -12,-0.5 7,-0.2 -2,-0.3 -12,-0.1 -0.817 52.5 159.3 -88.4 129.5 0.4 45.5 3.9 32 37 A A E - D 0 37A 7 5,-2.6 5,-2.9 -2,-0.5 -2,-0.0 -0.833 41.8 -93.5-135.1 174.2 -3.3 44.9 4.5 33 38 A P 0 0 90 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.760 360.0 360.0 -87.9 148.2 -6.5 47.0 5.0 34 39 A P 0 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.214 360.0 360.0 -29.4 360.0 -7.8 47.8 8.7 35 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 36 58 A A 0 0 36 0, 0.0 46,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.0 -3.0 50.4 4.5 37 59 A I E -DE 32 81A 43 -5,-2.9 -5,-2.6 44,-0.2 2,-0.5 -0.958 360.0-125.5-114.4 133.4 -1.7 48.9 7.8 38 60 A V E -D 31 0A 4 42,-3.0 41,-3.2 -2,-0.4 2,-0.3 -0.689 41.7-172.0 -70.6 123.1 1.6 46.8 8.1 39 61 A K E -D 30 0A 51 -9,-3.2 -9,-1.9 -2,-0.5 2,-0.6 -0.932 29.8-144.9-124.0 144.6 0.4 43.6 9.8 40 62 A K E +D 29 0A 89 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.951 42.0 154.4-100.1 117.7 2.1 40.4 11.3 41 63 A E E -D 28 0A 65 -13,-2.6 -13,-3.3 -2,-0.6 2,-0.2 -0.934 49.3 -86.0-138.5 161.7 -0.2 37.5 10.5 42 64 A L E > -D 27 0A 61 -2,-0.3 4,-2.9 -15,-0.2 3,-0.3 -0.497 29.6-137.0 -64.8 130.4 -0.1 33.7 10.0 43 65 A L H > S+ 0 0 10 -17,-3.2 4,-3.0 1,-0.2 5,-0.5 0.877 106.7 61.9 -51.2 -39.7 0.8 32.7 6.5 44 66 A Y H > S+ 0 0 199 -18,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.922 111.1 38.0 -56.5 -41.8 -2.0 30.1 6.8 45 67 A D H 4 S+ 0 0 93 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.901 117.0 49.5 -75.3 -44.1 -4.5 32.9 7.3 46 68 A V H < S+ 0 0 10 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.969 116.7 41.7 -62.3 -54.8 -2.9 35.3 4.8 47 69 A A H >< S+ 0 0 5 -4,-3.0 3,-1.6 1,-0.2 2,-0.2 0.942 85.0 166.6 -51.3 -54.1 -2.7 32.6 2.0 48 70 A G T 3< S- 0 0 49 -4,-1.8 -1,-0.2 -5,-0.5 -2,-0.1 -0.503 72.0 -23.0 67.3-135.6 -6.2 31.3 2.8 49 71 A S T 3 S+ 0 0 125 -2,-0.2 -1,-0.3 -4,-0.1 2,-0.2 0.331 116.2 108.1 -87.0 9.0 -7.5 29.0 0.1 50 72 A D S < S- 0 0 43 -3,-1.6 -37,-0.1 -4,-0.1 2,-0.1 -0.593 72.2-114.8 -92.5 148.7 -5.1 30.6 -2.4 51 73 A K E +B 12 0A 173 -39,-0.5 -39,-2.5 -2,-0.2 2,-0.3 -0.350 40.6 171.0 -67.7 152.4 -2.0 29.2 -4.0 52 74 A Y E -B 11 0A 99 -41,-0.3 2,-0.3 -2,-0.1 -41,-0.2 -0.965 14.0-165.1-158.5 165.0 1.3 30.9 -3.2 53 75 A Q E -B 10 0A 88 -43,-2.1 -43,-3.2 -2,-0.3 2,-0.4 -0.979 33.4-100.7-153.4 153.2 5.1 30.4 -3.7 54 76 A V E -B 9 0A 62 -2,-0.3 -45,-0.2 -45,-0.2 2,-0.2 -0.658 40.5-177.5 -65.3 129.0 8.4 31.7 -2.4 55 77 A N + 0 0 34 -47,-2.8 2,-1.8 -2,-0.4 3,-0.2 -0.619 18.6 171.6-138.5 83.3 9.6 34.2 -5.0 56 78 A N > + 0 0 36 1,-0.2 3,-1.5 -2,-0.2 4,-0.3 -0.496 23.4 168.0 -84.2 65.0 13.0 35.7 -4.2 57 79 A K G > + 0 0 72 -2,-1.8 3,-0.7 1,-0.3 -1,-0.2 0.837 62.9 41.3 -52.5 -52.7 12.8 37.1 -7.6 58 80 A H G >> S+ 0 0 59 1,-0.2 4,-3.6 -3,-0.2 3,-0.5 0.233 80.1 101.2 -93.6 7.8 15.7 39.6 -7.5 59 81 A D G <4 S+ 0 0 62 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.706 77.6 62.7 -59.4 -26.9 18.3 37.4 -5.7 60 82 A D G <4 S+ 0 0 122 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.1 0.889 122.2 18.3 -60.3 -42.5 19.9 36.7 -9.1 61 83 A K T <4 S+ 0 0 172 -3,-0.5 2,-0.3 -4,-0.1 -2,-0.2 0.709 126.1 49.3-107.3 -29.3 20.8 40.5 -9.5 62 84 A Y S < S- 0 0 130 -4,-3.6 -1,-0.1 0, 0.0 38,-0.0 -0.891 77.1-120.5-117.8 145.7 20.5 41.9 -6.0 63 85 A S - 0 0 103 -2,-0.3 2,-0.1 37,-0.1 -3,-0.1 -0.715 29.0-129.8 -74.7 122.3 22.0 40.8 -2.5 64 86 A P - 0 0 49 0, 0.0 36,-0.3 0, 0.0 3,-0.1 -0.464 32.3-105.3 -63.8 152.8 19.3 40.1 0.0 65 87 A L - 0 0 61 34,-3.8 5,-0.1 1,-0.2 36,-0.1 -0.284 53.6 -70.7 -64.5 159.2 20.0 41.9 3.3 66 88 A P >> - 0 0 67 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.320 50.2-125.5 -45.4 136.5 21.3 39.9 6.3 67 89 A C H 3> S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.842 109.4 59.7 -67.7 -30.2 18.2 37.9 7.2 68 90 A S H 3> S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.857 107.7 46.8 -59.6 -38.9 18.4 39.2 10.9 69 91 A K H <> S+ 0 0 116 -3,-0.6 4,-2.9 2,-0.2 5,-0.3 0.900 108.8 54.4 -67.9 -46.4 18.0 42.7 9.4 70 92 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.941 114.2 40.7 -49.8 -54.4 15.1 41.7 7.2 71 93 A I H X S+ 0 0 30 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.896 116.1 49.5 -65.3 -48.0 13.1 40.2 10.2 72 94 A Q H X S+ 0 0 114 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.934 115.7 43.0 -55.2 -51.1 14.0 43.0 12.6 73 95 A R H X S+ 0 0 123 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.936 113.6 50.9 -64.7 -49.7 13.0 45.7 10.0 74 96 A A H < S+ 0 0 0 -4,-2.8 4,-0.5 -5,-0.3 3,-0.3 0.935 114.1 43.7 -51.7 -51.0 9.8 43.9 8.9 75 97 A E H >< S+ 0 0 71 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.790 106.0 62.6 -73.3 -29.9 8.6 43.5 12.5 76 98 A E H 3< S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.874 104.7 48.9 -53.0 -44.3 9.6 47.1 13.5 77 99 A L T >< S+ 0 0 15 -4,-1.6 3,-2.4 -3,-0.3 -39,-0.3 0.601 80.6 120.4 -75.2 -14.8 7.0 48.3 10.9 78 100 A V T < S+ 0 0 53 -3,-0.6 -39,-0.2 -4,-0.5 3,-0.1 -0.325 79.1 24.0 -58.9 131.5 4.2 46.1 12.1 79 101 A G T 3 S+ 0 0 54 -41,-3.2 -1,-0.3 1,-0.3 2,-0.2 -0.030 96.2 121.5 103.9 -28.9 1.3 48.4 13.2 80 102 A Q < - 0 0 107 -3,-2.4 -42,-3.0 -43,-0.1 -1,-0.3 -0.455 59.0-132.0 -74.5 135.6 2.4 51.3 10.9 81 103 A E B -E 37 0A 163 -44,-0.2 2,-0.4 -2,-0.2 -44,-0.2 -0.551 17.3-140.4 -76.7 146.6 0.2 52.8 8.2 82 104 A V - 0 0 31 -46,-1.8 -1,-0.0 -2,-0.2 0, 0.0 -0.958 7.0-139.8-114.0 133.5 1.8 53.3 4.8 83 105 A L S S+ 0 0 194 -2,-0.4 2,-0.2 2,-0.0 -1,-0.1 0.761 82.0 76.3 -69.5 -26.7 0.8 56.5 3.0 84 106 A Y S S- 0 0 71 1,-0.1 -2,-0.2 6,-0.1 0, 0.0 -0.541 86.5-111.4 -83.0 151.8 0.6 54.8 -0.4 85 107 A K - 0 0 158 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.109 35.6 -88.1 -76.5 175.2 -2.4 52.6 -1.4 86 108 A L + 0 0 61 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.793 59.3 137.2 -95.4 114.0 -2.6 48.8 -1.9 87 109 A T > - 0 0 35 -2,-0.7 4,-2.3 1,-0.0 5,-0.2 -0.858 66.4-103.5-134.6 170.2 -1.9 47.4 -5.3 88 110 A S H > S+ 0 0 19 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.835 123.0 54.8 -61.4 -33.8 0.2 44.3 -6.1 89 111 A E H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.864 111.2 43.0 -68.2 -42.0 3.1 46.6 -7.2 90 112 A N H > S+ 0 0 40 2,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.881 115.6 47.0 -71.0 -47.5 3.0 48.5 -3.9 91 113 A C H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.910 115.0 48.7 -57.9 -45.1 2.7 45.4 -1.7 92 114 A E H X S+ 0 0 31 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.928 111.7 48.4 -62.0 -45.3 5.5 43.9 -3.9 93 115 A H H X S+ 0 0 90 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.883 109.5 54.4 -63.3 -39.2 7.7 47.1 -3.5 94 116 A F H X S+ 0 0 7 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.948 111.4 41.5 -56.3 -54.4 7.1 47.0 0.3 95 117 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.888 115.3 53.3 -66.2 -36.8 8.3 43.3 0.7 96 118 A N H X>S+ 0 0 29 -4,-2.4 4,-2.6 2,-0.2 5,-0.5 0.849 104.4 54.3 -60.0 -41.9 11.2 44.1 -1.7 97 119 A E H X5S+ 0 0 65 -4,-2.3 4,-1.3 3,-0.2 -1,-0.2 0.899 111.9 46.4 -58.0 -41.6 12.3 47.2 0.4 98 120 A L H <5S+ 0 0 5 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.928 119.0 37.9 -70.1 -45.1 12.5 44.8 3.4 99 121 A R H <5S+ 0 0 12 -4,-2.4 -34,-3.8 1,-0.1 -2,-0.2 0.910 135.3 16.5 -72.0 -45.0 14.4 42.0 1.7 100 122 A Y H <5S- 0 0 23 -4,-2.6 -3,-0.2 -36,-0.3 -2,-0.2 0.552 102.7-119.8-108.9 -14.3 16.9 44.0 -0.5 101 123 A G << - 0 0 20 -4,-1.3 2,-1.5 -5,-0.5 -1,-0.2 -0.215 55.0 -41.3 86.8 174.9 16.8 47.6 0.9 102 124 A V 0 0 116 -2,-0.1 -5,-0.1 -4,-0.1 -1,-0.1 -0.564 360.0 360.0 -79.6 83.9 15.7 50.9 -0.8 103 125 A A 0 0 109 -2,-1.5 -3,-0.1 0, 0.0 0, 0.0 -0.939 360.0 360.0 126.1 360.0 17.4 50.3 -4.3