==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-DEC-01 1KP4 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VIOLACEORUBER; . AUTHOR Y.MATOBA,Y.KATSUBE,M.SUGIYAMA . 122 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6795.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 72.1 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 . 0 0.0 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 53.3 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+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 1 0 0 0 0 1 0 0 0 0 1 0 0 1 1 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 0 111 0, 0.0 35,-0.1 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 162.0 15.9 -1.5 17.5 2 2 A P > - 0 0 43 0, 0.0 3,-2.1 0, 0.0 0, 0.0 -0.285 360.0-121.3 -60.8 142.8 17.7 -3.8 20.0 3 3 A A T 3 S+ 0 0 99 1,-0.3 4,-0.2 2,-0.1 0, 0.0 0.713 110.9 57.7 -61.3 -23.9 15.6 -6.5 21.6 4 4 A D T 3> S+ 0 0 63 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.247 71.7 108.4 -94.2 15.7 16.3 -5.2 25.1 5 5 A K H <> S+ 0 0 54 -3,-2.1 4,-2.8 1,-0.2 5,-0.3 0.907 75.9 53.8 -56.0 -47.0 14.9 -1.7 24.3 6 6 A P H > S+ 0 0 81 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.887 110.3 46.6 -56.8 -37.9 11.8 -2.3 26.5 7 7 A Q H > S+ 0 0 115 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.897 112.6 48.9 -73.9 -37.0 14.0 -3.2 29.5 8 8 A V H X S+ 0 0 15 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.943 112.1 49.7 -61.4 -44.0 16.3 -0.2 29.0 9 9 A L H >< S+ 0 0 5 -4,-2.8 3,-0.6 1,-0.2 4,-0.5 0.916 111.3 48.4 -63.5 -42.8 13.3 2.1 28.7 10 10 A A H >< S+ 0 0 30 -4,-2.4 3,-1.3 -5,-0.3 -1,-0.2 0.914 106.7 57.9 -62.0 -37.6 11.8 0.6 31.9 11 11 A S H 3< S+ 0 0 55 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.773 106.3 48.6 -68.1 -22.8 15.1 1.1 33.7 12 12 A F T << S+ 0 0 9 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.476 110.7 51.0 -91.2 -3.7 15.1 4.8 33.0 13 13 A T S < S+ 0 0 5 -3,-1.3 -1,-0.2 -4,-0.5 74,-0.2 -0.057 74.6 118.4-131.0 29.5 11.5 5.5 34.1 14 14 A Q S S- 0 0 76 -3,-0.4 6,-0.1 2,-0.1 -3,-0.0 -0.517 71.4-115.3 -84.8 165.0 11.2 3.9 37.6 15 15 A T S S+ 0 0 57 -2,-0.2 -1,-0.1 4,-0.1 2,-0.0 0.597 81.5 102.1 -79.3 -11.9 10.4 6.1 40.6 16 16 A S S > S- 0 0 47 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.287 79.1-121.7 -74.3 155.4 13.7 5.5 42.4 17 17 A A H > S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.869 113.7 58.7 -59.4 -37.7 16.6 7.9 42.6 18 18 A S H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.879 107.2 47.2 -65.3 -33.9 18.9 5.2 41.0 19 19 A S H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.937 112.7 48.5 -66.0 -46.9 16.5 5.1 38.0 20 20 A Q H X S+ 0 0 22 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.927 113.4 48.9 -53.7 -41.5 16.6 9.0 37.8 21 21 A N H X S+ 0 0 94 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.902 108.0 52.4 -71.6 -37.6 20.4 8.8 38.1 22 22 A A H X S+ 0 0 41 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.916 111.2 48.2 -63.7 -39.4 20.7 6.2 35.4 23 23 A W H X S+ 0 0 5 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.910 108.9 53.4 -65.0 -39.4 18.6 8.4 33.1 24 24 A L H X S+ 0 0 58 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.938 108.2 49.7 -63.6 -41.3 20.7 11.5 33.9 25 25 A A H X S+ 0 0 32 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.904 113.9 45.6 -61.8 -40.8 23.8 9.6 33.0 26 26 A A H >< S+ 0 0 2 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.889 108.5 56.4 -68.0 -40.4 22.3 8.5 29.7 27 27 A N H >< S+ 0 0 54 -4,-3.1 3,-0.7 1,-0.3 -1,-0.2 0.845 107.5 49.2 -61.1 -36.0 20.9 12.0 28.9 28 28 A R H 3< S+ 0 0 174 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.665 118.5 38.7 -82.8 -13.2 24.4 13.5 29.2 29 29 A N T X< S+ 0 0 61 -3,-0.8 3,-1.4 -4,-0.7 4,-0.5 -0.427 70.2 154.0-123.8 57.2 25.9 10.8 26.8 30 30 A Q G X + 0 0 80 -3,-0.7 3,-1.5 1,-0.3 8,-0.1 0.811 65.6 67.1 -58.1 -30.3 23.0 10.6 24.3 31 31 A S G > S+ 0 0 91 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.841 90.2 61.0 -61.9 -36.6 25.4 9.4 21.7 32 32 A A G < S+ 0 0 66 -3,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.656 106.7 48.6 -63.4 -19.8 26.2 6.1 23.4 33 33 A W G X S+ 0 0 67 -3,-1.5 3,-2.2 -4,-0.5 5,-0.5 0.237 72.4 115.0-105.0 13.7 22.5 5.2 23.1 34 34 A A G X + 0 0 67 -3,-1.6 3,-1.5 1,-0.3 -1,-0.2 0.825 67.1 66.8 -57.4 -29.0 21.9 6.0 19.4 35 35 A A G 3 S+ 0 0 73 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.809 98.9 53.5 -63.3 -22.7 21.3 2.4 18.5 36 36 A Y G < S- 0 0 36 -3,-2.2 -1,-0.3 -35,-0.1 -2,-0.2 0.569 95.2-145.2 -86.4 -12.7 18.1 2.6 20.6 37 37 A E < + 0 0 163 -3,-1.5 2,-0.1 -4,-0.4 -3,-0.1 0.859 28.9 179.5 44.1 51.2 16.7 5.7 18.8 38 38 A F - 0 0 15 -5,-0.5 2,-0.8 -8,-0.1 -1,-0.2 -0.477 34.2-115.9 -71.9 151.4 15.1 7.2 21.9 39 39 A D + 0 0 62 27,-0.2 31,-0.2 -2,-0.1 30,-0.1 -0.787 34.0 178.7 -80.9 112.2 13.3 10.5 21.6 40 40 A W + 0 0 43 -2,-0.8 2,-0.1 29,-0.1 -1,-0.1 0.208 35.9 123.9 -99.3 16.8 15.4 12.8 23.8 41 41 A S + 0 0 49 24,-0.1 2,-0.3 25,-0.1 28,-0.1 -0.479 32.8 173.6 -80.5 153.7 13.3 15.9 23.1 42 42 A T - 0 0 54 -2,-0.1 20,-0.1 23,-0.1 3,-0.1 -0.988 35.0-159.5-152.1 145.5 11.7 17.9 25.9 43 43 A D > - 0 0 70 1,-0.4 3,-1.9 -2,-0.3 19,-0.1 0.060 44.6-139.4-105.2 24.8 9.7 21.2 26.4 44 44 A L T 3 - 0 0 71 1,-0.2 -1,-0.4 17,-0.1 14,-0.1 -0.340 66.5 -23.3 54.0-137.8 10.7 21.3 30.1 45 45 A a T > S+ 0 0 25 -3,-0.1 3,-2.1 2,-0.0 -1,-0.2 0.004 88.9 152.5 -94.7 23.5 7.7 22.4 32.3 46 46 A T T < S+ 0 0 83 -3,-1.9 -3,-0.1 1,-0.3 -2,-0.0 -0.342 70.4 16.4 -54.4 131.6 6.0 24.3 29.5 47 47 A Q T 3 S+ 0 0 185 1,-0.3 -1,-0.3 -2,-0.0 3,-0.1 0.562 96.6 130.8 77.3 15.5 2.2 24.3 30.1 48 48 A A < - 0 0 36 -3,-2.1 -1,-0.3 1,-0.2 3,-0.1 -0.395 67.5 -80.1 -82.8 168.8 2.6 23.4 33.8 49 49 A P - 0 0 40 0, 0.0 -1,-0.2 0, 0.0 65,-0.0 -0.181 64.7 -72.5 -62.4 164.9 0.9 25.3 36.6 50 50 A D - 0 0 145 1,-0.1 3,-0.1 -3,-0.1 64,-0.0 -0.222 37.5-162.9 -59.4 149.0 2.3 28.5 37.9 51 51 A N > + 0 0 43 -3,-0.1 3,-1.9 1,-0.1 -1,-0.1 -0.660 15.0 171.8-137.0 68.8 5.5 28.3 40.1 52 52 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.845 77.9 49.4 -53.9 -37.2 5.6 31.7 41.8 53 53 A F T 3 S- 0 0 125 53,-0.1 54,-0.0 -3,-0.1 53,-0.0 0.552 107.4-124.3 -84.7 -5.8 8.5 30.8 44.0 54 54 A G < - 0 0 49 -3,-1.9 -1,-0.0 1,-0.2 -3,-0.0 0.834 34.6-176.1 72.6 32.0 10.7 29.4 41.2 55 55 A F - 0 0 5 1,-0.1 2,-1.6 2,-0.1 -1,-0.2 -0.451 35.3-114.1 -62.1 135.5 11.4 25.9 42.4 56 56 A P + 0 0 78 0, 0.0 3,-0.3 0, 0.0 4,-0.2 -0.537 58.2 147.6 -87.2 90.2 13.7 24.3 39.9 57 57 A F > + 0 0 2 -2,-1.6 4,-2.3 1,-0.2 5,-0.2 0.225 33.9 107.2-101.0 8.8 11.7 21.5 38.4 58 58 A N H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 79.9 49.8 -61.1 -40.6 13.1 21.6 34.8 59 59 A T H > S+ 0 0 76 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.921 110.6 50.1 -68.3 -38.7 15.1 18.3 35.2 60 60 A A H > S+ 0 0 3 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 110.1 50.5 -58.1 -44.2 12.0 16.5 36.6 61 61 A a H X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.875 107.4 56.0 -60.6 -36.5 9.9 17.8 33.7 62 62 A A H X S+ 0 0 14 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.919 108.1 44.6 -64.0 -43.4 12.6 16.5 31.3 63 63 A R H X S+ 0 0 6 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.885 111.2 55.5 -73.2 -31.9 12.5 13.0 32.5 64 64 A H H X S+ 0 0 16 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.935 107.0 49.1 -62.9 -43.4 8.7 13.1 32.5 65 65 A D H X S+ 0 0 19 -4,-2.7 4,-3.1 1,-0.2 5,-0.4 0.929 107.4 57.4 -60.1 -39.2 8.8 14.1 28.8 66 66 A F H X S+ 0 0 3 -4,-2.2 4,-2.1 -5,-0.2 5,-0.3 0.946 109.0 43.8 -57.8 -44.7 11.2 11.2 28.2 67 67 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.4 0.971 117.3 45.3 -66.8 -47.2 8.7 8.6 29.6 68 68 A Y H X S+ 0 0 18 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.950 116.3 43.6 -58.8 -50.4 5.7 10.1 27.8 69 69 A R H X S+ 0 0 71 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 0.921 118.0 43.7 -69.2 -38.8 7.3 10.5 24.4 70 70 A N H X S+ 0 0 7 -4,-2.1 4,-1.2 -5,-0.4 -1,-0.2 0.838 114.9 46.9 -77.6 -32.4 9.1 7.1 24.4 71 71 A Y H X>S+ 0 0 11 -4,-2.4 5,-2.4 -5,-0.3 4,-1.0 0.827 110.8 54.1 -74.8 -32.2 6.1 5.1 25.7 72 72 A K H ><5S+ 0 0 112 -4,-2.0 3,-0.7 -5,-0.4 -2,-0.2 0.953 109.6 47.2 -62.6 -44.1 3.8 6.8 23.2 73 73 A A H 3<5S+ 0 0 86 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.818 110.5 52.9 -67.2 -27.9 6.1 5.8 20.4 74 74 A A H 3<5S- 0 0 66 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.625 112.5-120.4 -82.4 -15.2 6.3 2.2 21.8 75 75 A G T <<5S+ 0 0 69 -4,-1.0 -3,-0.2 -3,-0.7 -2,-0.1 0.779 90.3 96.9 85.9 21.8 2.5 2.0 21.8 76 76 A S >< + 0 0 42 -5,-2.4 4,-0.7 -6,-0.1 -4,-0.2 -0.057 35.6 121.3-137.9 39.0 2.3 1.4 25.6 77 77 A F H >> S+ 0 0 28 -6,-0.5 4,-1.9 2,-0.2 3,-0.8 0.900 73.1 53.7 -63.9 -49.2 1.6 4.8 27.0 78 78 A D H 34 S+ 0 0 151 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.911 109.0 49.2 -57.5 -44.3 -1.7 3.9 28.7 79 79 A A H 34 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.696 121.4 33.3 -68.5 -23.1 -0.1 1.0 30.6 80 80 A N H XX S+ 0 0 28 -3,-0.8 4,-1.9 -4,-0.7 3,-0.7 0.538 88.5 96.2-113.2 -6.5 2.9 3.0 31.9 81 81 A K H 3X S+ 0 0 33 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.869 81.7 53.8 -51.4 -47.7 1.5 6.5 32.4 82 82 A S H 3> S+ 0 0 87 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.881 109.4 48.9 -65.4 -31.2 0.8 6.2 36.1 83 83 A R H <> S+ 0 0 53 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.922 111.3 48.9 -67.9 -42.8 4.3 5.1 36.8 84 84 A I H X S+ 0 0 5 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.907 111.3 50.6 -65.1 -40.3 5.9 7.9 34.8 85 85 A D H X S+ 0 0 5 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.911 111.5 48.0 -62.6 -43.3 3.6 10.4 36.6 86 86 A S H X S+ 0 0 38 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.890 108.9 52.8 -64.9 -37.8 4.7 9.0 40.0 87 87 A A H X S+ 0 0 5 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.865 106.7 55.1 -66.0 -33.9 8.4 9.1 39.1 88 88 A F H X S+ 0 0 6 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.939 108.5 46.7 -59.6 -49.0 7.8 12.8 38.1 89 89 A Y H X S+ 0 0 56 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.948 112.6 49.8 -59.5 -47.0 6.4 13.4 41.6 90 90 A E H X S+ 0 0 61 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.929 109.7 51.9 -61.2 -40.2 9.3 11.6 43.2 91 91 A D H X S+ 0 0 2 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.943 111.3 46.8 -59.9 -46.5 11.8 13.6 41.1 92 92 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.5 0.922 109.3 53.5 -62.0 -44.5 10.2 16.9 42.2 93 93 A K H X S+ 0 0 65 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.897 102.7 58.0 -62.2 -33.2 10.2 15.8 45.9 94 94 A R H < S+ 0 0 75 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.837 106.3 50.0 -63.0 -30.5 13.9 15.1 45.6 95 95 A V H >< S+ 0 0 41 -4,-1.2 3,-1.7 -3,-0.5 -1,-0.2 0.931 107.0 54.5 -64.4 -45.5 14.3 18.8 44.6 96 96 A b H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.754 90.1 76.6 -64.9 -22.1 12.2 19.8 47.6 97 97 A T T 3< S+ 0 0 110 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.801 85.5 63.7 -58.9 -28.8 14.6 17.9 49.9 98 98 A G T < S+ 0 0 70 -3,-1.7 2,-0.4 -4,-0.4 -1,-0.3 0.523 95.7 68.3 -76.6 -1.0 17.1 20.7 49.5 99 99 A Y < - 0 0 78 -3,-2.2 2,-0.2 -4,-0.1 0, 0.0 -0.914 65.9-170.1-112.3 145.9 14.7 23.2 51.2 100 100 A T >> + 0 0 128 -2,-0.4 3,-1.1 4,-0.1 4,-0.5 -0.710 47.1 16.2-127.2-177.8 13.8 23.2 54.8 101 101 A G H >> S- 0 0 49 1,-0.2 3,-1.4 -2,-0.2 4,-1.3 -0.225 127.4 -14.5 58.2-153.3 11.3 24.9 57.1 102 102 A E H 3> S+ 0 0 178 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.772 135.0 63.0 -48.4 -35.4 8.4 26.8 55.4 103 103 A K H <> S+ 0 0 110 -3,-1.1 4,-2.4 1,-0.2 -1,-0.3 0.855 98.5 54.9 -67.3 -33.4 10.2 26.6 52.1 104 104 A N H