==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JAN-02 1IT4 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VIOLACEORUBER; . AUTHOR K.OHTANI,M.SUGIYAMA,M.IZUHARA,T.KOIKE . 122 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 73.8 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 . 67 54.9 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 0 1 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 87 0, 0.0 35,-0.1 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 153.0 15.7 -1.3 17.7 2 2 A P > - 0 0 39 0, 0.0 3,-1.8 0, 0.0 0, 0.0 -0.255 360.0-117.4 -61.1 147.9 17.7 -3.7 19.9 3 3 A A T 3 S+ 0 0 96 1,-0.3 4,-0.2 2,-0.1 0, 0.0 0.689 111.6 58.1 -68.0 -16.2 15.6 -6.4 21.5 4 4 A D T 3> S+ 0 0 68 1,-0.2 4,-2.3 2,-0.1 3,-0.5 0.305 72.7 108.0 -94.9 15.0 16.4 -5.1 25.1 5 5 A K H <> S+ 0 0 41 -3,-1.8 4,-3.1 1,-0.2 5,-0.3 0.911 75.5 53.2 -55.6 -46.2 15.0 -1.6 24.3 6 6 A P H > S+ 0 0 76 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.869 110.5 47.4 -57.7 -34.5 11.9 -2.2 26.5 7 7 A Q H > S+ 0 0 131 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.854 113.1 47.6 -72.8 -37.4 14.0 -3.2 29.4 8 8 A V H X S+ 0 0 17 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.957 111.4 51.2 -65.2 -45.2 16.3 -0.2 29.0 9 9 A L H >X S+ 0 0 6 -4,-3.1 3,-0.7 1,-0.2 4,-0.5 0.920 111.3 47.9 -58.6 -44.0 13.3 2.0 28.7 10 10 A A H >< S+ 0 0 27 -4,-2.0 3,-1.3 -5,-0.3 -1,-0.2 0.929 106.1 58.2 -64.2 -37.8 11.8 0.6 31.9 11 11 A S H 3< S+ 0 0 56 -4,-2.3 3,-0.4 1,-0.3 -1,-0.3 0.750 105.8 49.6 -67.0 -23.3 15.1 1.0 33.7 12 12 A F H << S+ 0 0 8 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.443 110.9 49.4 -91.7 -3.5 15.1 4.8 33.0 13 13 A T S << S+ 0 0 4 -3,-1.3 -1,-0.2 -4,-0.5 2,-0.2 -0.114 74.6 117.8-130.3 31.4 11.6 5.5 34.2 14 14 A Q S S- 0 0 77 -3,-0.4 6,-0.1 2,-0.1 -3,-0.0 -0.556 72.3-112.7 -85.1 166.7 11.1 3.9 37.6 15 15 A T S S+ 0 0 56 -2,-0.2 -1,-0.1 4,-0.1 69,-0.0 0.631 81.2 103.0 -78.7 -11.3 10.4 6.1 40.6 16 16 A S S > S- 0 0 49 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.248 78.4-120.6 -75.1 157.4 13.7 5.5 42.4 17 17 A A H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 114.2 56.6 -58.0 -40.1 16.6 7.9 42.6 18 18 A S H > S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 107.6 47.8 -68.5 -29.5 18.9 5.3 41.0 19 19 A S H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.940 112.4 49.2 -67.0 -46.9 16.5 5.1 38.0 20 20 A Q H X S+ 0 0 21 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.914 113.7 47.5 -53.1 -39.7 16.5 9.0 37.8 21 21 A N H X S+ 0 0 95 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.916 107.7 54.2 -74.6 -36.5 20.3 8.9 38.0 22 22 A A H X S+ 0 0 43 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.926 111.0 47.8 -63.2 -38.7 20.6 6.2 35.4 23 23 A W H X S+ 0 0 6 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.901 108.6 53.3 -67.9 -39.1 18.6 8.4 33.1 24 24 A L H X S+ 0 0 42 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.915 108.2 50.0 -63.7 -36.7 20.6 11.5 33.8 25 25 A A H X S+ 0 0 51 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.913 113.2 45.5 -65.5 -40.2 23.8 9.8 33.0 26 26 A A H >< S+ 0 0 4 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.880 109.0 55.7 -68.3 -38.1 22.3 8.5 29.7 27 27 A N H >< S+ 0 0 52 -4,-3.0 3,-0.6 1,-0.3 -1,-0.2 0.844 105.8 54.1 -60.1 -35.7 20.9 12.0 28.9 28 28 A R H 3< S+ 0 0 187 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.595 118.9 32.9 -69.7 -24.8 24.5 13.3 29.3 29 29 A N T X< + 0 0 89 -3,-1.0 3,-1.2 -4,-0.5 4,-0.4 -0.440 68.8 156.2-134.4 61.0 25.8 10.8 26.7 30 30 A Q G X + 0 0 81 -3,-0.6 3,-1.9 1,-0.3 4,-0.2 0.829 68.5 67.9 -56.8 -31.8 23.0 10.5 24.3 31 31 A S G > S+ 0 0 93 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.870 90.4 59.8 -62.6 -37.7 25.4 9.4 21.6 32 32 A A G < S+ 0 0 66 -3,-1.2 -1,-0.3 1,-0.3 3,-0.2 0.575 108.1 49.1 -63.6 -12.7 26.2 6.1 23.4 33 33 A W G X> S+ 0 0 68 -3,-1.9 3,-2.1 -4,-0.4 4,-0.5 0.181 72.4 113.9-109.0 12.5 22.5 5.2 23.1 34 34 A A G X4 + 0 0 70 -3,-1.6 3,-1.5 1,-0.3 -1,-0.1 0.848 67.3 66.3 -55.9 -30.9 22.0 6.0 19.5 35 35 A A G 34 S+ 0 0 70 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.791 99.3 53.8 -63.8 -22.9 21.3 2.4 18.6 36 36 A Y G <4 S- 0 0 36 -3,-2.1 -1,-0.3 -35,-0.1 -2,-0.2 0.583 95.1-145.5 -85.2 -14.1 18.1 2.6 20.6 37 37 A E << + 0 0 105 -3,-1.5 2,-0.2 -4,-0.5 -3,-0.1 0.873 28.6 179.2 47.7 50.6 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 -0.472 34.3-115.7 -74.5 153.7 15.2 7.2 21.9 39 39 A D + 0 0 74 27,-0.2 31,-0.2 -2,-0.2 30,-0.1 -0.774 34.2 178.5 -82.8 115.4 13.3 10.5 21.6 40 40 A W + 0 0 40 -2,-0.8 -1,-0.1 29,-0.1 2,-0.1 0.174 35.2 124.2-100.8 17.4 15.3 12.8 23.8 41 41 A S + 0 0 56 24,-0.1 2,-0.3 25,-0.1 28,-0.1 -0.499 33.0 175.6 -83.7 157.1 13.3 15.9 23.1 42 42 A T - 0 0 56 -2,-0.1 3,-0.1 23,-0.1 20,-0.1 -0.977 34.4-161.4-154.2 144.2 11.7 17.9 25.9 43 43 A D > - 0 0 71 1,-0.5 3,-2.0 -2,-0.3 19,-0.1 0.023 44.7-139.7-105.7 21.7 9.7 21.2 26.3 44 44 A L T 3 - 0 0 76 1,-0.2 -1,-0.5 17,-0.1 21,-0.1 -0.370 65.9 -24.3 54.5-139.1 10.7 21.3 30.1 45 45 A a T > S+ 0 0 24 -3,-0.1 3,-2.0 3,-0.0 -1,-0.2 -0.001 89.2 152.7 -94.1 22.5 7.7 22.4 32.3 46 46 A T T < S+ 0 0 89 -3,-2.0 -3,-0.1 1,-0.2 -2,-0.0 -0.321 70.2 16.0 -54.7 133.4 6.0 24.3 29.5 47 47 A Q T 3 S+ 0 0 189 1,-0.3 -1,-0.2 2,-0.0 3,-0.1 0.552 97.7 129.6 75.4 16.5 2.2 24.4 30.1 48 48 A A < - 0 0 41 -3,-2.0 -1,-0.3 1,-0.2 3,-0.1 -0.348 68.2 -76.8 -85.3 172.0 2.6 23.3 33.7 49 49 A P - 0 0 36 0, 0.0 -1,-0.2 0, 0.0 65,-0.0 -0.225 64.1 -76.6 -64.1 163.1 0.9 25.2 36.7 50 50 A D - 0 0 150 1,-0.1 3,-0.1 -3,-0.1 64,-0.0 -0.263 36.8-161.4 -61.9 151.4 2.4 28.5 37.9 51 51 A N > + 0 0 39 -3,-0.1 3,-1.9 1,-0.1 -1,-0.1 -0.692 14.7 173.1-137.1 67.4 5.5 28.3 40.1 52 52 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.820 78.6 49.2 -51.2 -37.8 5.7 31.7 41.8 53 53 A F T 3 S- 0 0 138 53,-0.1 54,-0.0 -3,-0.1 53,-0.0 0.518 107.4-124.1 -86.2 -3.7 8.6 30.8 44.0 54 54 A G < - 0 0 50 -3,-1.9 -3,-0.0 1,-0.2 -1,-0.0 0.850 35.0-176.9 76.4 28.4 10.7 29.4 41.2 55 55 A F - 0 0 11 1,-0.1 2,-1.6 2,-0.1 -1,-0.2 -0.466 35.6-114.7 -63.8 136.3 11.4 25.8 42.4 56 56 A P + 0 0 75 0, 0.0 3,-0.3 0, 0.0 4,-0.2 -0.564 57.8 147.8 -89.4 90.4 13.7 24.3 39.9 57 57 A F > + 0 0 2 -2,-1.6 4,-2.2 1,-0.2 5,-0.2 0.217 34.4 106.4 -98.6 6.8 11.7 21.5 38.4 58 58 A N H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 79.8 51.8 -62.6 -37.1 13.1 21.6 34.8 59 59 A T H > S+ 0 0 73 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.918 110.6 48.6 -66.6 -40.2 15.1 18.4 35.3 60 60 A A H > S+ 0 0 1 2,-0.2 4,-2.0 -4,-0.2 -1,-0.2 0.907 109.6 51.2 -60.3 -43.0 12.0 16.5 36.6 61 61 A a H X S+ 0 0 6 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.879 107.5 57.2 -60.0 -35.8 9.8 17.8 33.6 62 62 A A H X S+ 0 0 11 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.906 107.4 43.4 -63.9 -43.0 12.6 16.5 31.3 63 63 A R H X S+ 0 0 6 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.871 111.7 56.1 -75.2 -30.4 12.5 13.0 32.5 64 64 A H H X S+ 0 0 13 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.950 107.0 48.7 -63.8 -44.0 8.7 13.1 32.5 65 65 A D H X S+ 0 0 14 -4,-2.8 4,-3.1 1,-0.2 5,-0.4 0.925 108.0 57.0 -59.0 -39.9 8.7 14.1 28.8 66 66 A F H X S+ 0 0 3 -4,-2.1 4,-2.0 -5,-0.2 5,-0.3 0.939 108.7 44.5 -58.8 -44.5 11.1 11.2 28.2 67 67 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.4 0.959 117.4 44.8 -65.5 -46.5 8.7 8.6 29.6 68 68 A Y H X S+ 0 0 29 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.955 115.9 44.1 -60.0 -51.0 5.7 10.1 27.8 69 69 A R H X S+ 0 0 80 -4,-3.1 4,-1.8 -5,-0.2 -1,-0.2 0.909 117.8 44.0 -67.5 -38.2 7.3 10.5 24.4 70 70 A N H X S+ 0 0 9 -4,-2.0 4,-1.1 -5,-0.4 -1,-0.2 0.851 114.5 47.4 -78.9 -31.4 9.1 7.1 24.4 71 71 A Y H X>S+ 0 0 12 -4,-2.3 5,-2.5 -5,-0.3 4,-0.9 0.847 111.1 52.6 -76.3 -33.3 6.1 5.1 25.7 72 72 A K H <5S+ 0 0 139 -4,-2.1 3,-0.5 -5,-0.4 -2,-0.2 0.937 109.9 48.1 -64.4 -42.6 3.8 6.7 23.2 73 73 A A H <5S+ 0 0 90 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.796 110.6 52.3 -65.9 -26.6 6.2 5.8 20.4 74 74 A A H <5S- 0 0 64 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.569 114.2-118.4 -85.3 -12.7 6.3 2.2 21.8 75 75 A G T <5S+ 0 0 67 -4,-0.9 -3,-0.2 -3,-0.5 -2,-0.1 0.816 90.8 95.8 86.7 19.0 2.6 2.0 21.8 76 76 A S >< + 0 0 43 -5,-2.5 4,-0.8 -6,-0.1 -4,-0.2 -0.073 33.7 121.7-137.7 39.9 2.3 1.4 25.5 77 77 A F H >> S+ 0 0 15 -6,-0.5 4,-1.7 1,-0.2 3,-0.8 0.889 73.3 54.6 -66.6 -44.9 1.7 4.8 27.0 78 78 A D H 34 S+ 0 0 141 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.918 108.5 48.8 -60.7 -43.0 -1.7 3.9 28.8 79 79 A A H 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.697 122.1 33.0 -70.7 -20.2 -0.2 1.0 30.7 80 80 A N H XX S+ 0 0 26 -4,-0.8 4,-2.1 -3,-0.8 3,-0.6 0.501 88.5 96.6-114.0 -4.9 2.8 3.0 31.9 81 81 A K H 3X S+ 0 0 31 -4,-1.7 4,-3.1 1,-0.3 5,-0.2 0.871 81.6 53.7 -49.8 -46.6 1.5 6.5 32.4 82 82 A S H 3> S+ 0 0 80 -4,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.892 108.5 49.0 -71.2 -26.9 0.8 6.3 36.0 83 83 A R H <> S+ 0 0 55 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.939 111.8 49.6 -70.3 -42.0 4.3 5.1 36.9 84 84 A I H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.923 111.1 49.8 -62.2 -40.2 5.8 7.9 34.8 85 85 A D H X S+ 0 0 4 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.909 112.0 47.8 -65.4 -41.2 3.6 10.4 36.6 86 86 A S H X S+ 0 0 30 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.880 108.7 53.4 -66.9 -36.6 4.6 9.0 40.0 87 87 A A H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.851 106.4 54.9 -63.4 -35.6 8.3 9.1 39.0 88 88 A F H X S+ 0 0 8 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.931 108.1 47.9 -59.0 -48.2 7.8 12.8 38.1 89 89 A Y H X S+ 0 0 43 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.951 111.7 49.2 -59.4 -48.8 6.4 13.4 41.6 90 90 A E H X S+ 0 0 68 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.932 110.0 52.2 -58.4 -42.3 9.4 11.6 43.3 91 91 A D H X S+ 0 0 1 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.945 111.7 46.6 -58.4 -45.2 11.8 13.6 41.1 92 92 A M H >X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 3,-0.5 0.934 110.1 52.1 -64.1 -44.4 10.2 16.9 42.3 93 93 A K H 3X S+ 0 0 47 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.893 103.9 57.8 -61.6 -33.2 10.1 15.8 45.9 94 94 A R H 3< S+ 0 0 74 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.827 106.3 50.5 -63.9 -29.1 13.9 15.0 45.6 95 95 A V H X< S+ 0 0 38 -4,-1.2 3,-1.8 -3,-0.5 -2,-0.2 0.935 107.5 52.8 -67.4 -45.8 14.2 18.8 44.6 96 96 A b H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.740 89.8 78.6 -64.6 -20.6 12.2 19.9 47.6 97 97 A T T 3< S+ 0 0 106 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.815 85.9 61.6 -59.2 -29.0 14.6 17.9 49.9 98 98 A G T < S+ 0 0 73 -3,-1.8 2,-0.4 -4,-0.4 -1,-0.3 0.506 96.1 69.5 -80.5 3.8 17.1 20.7 49.5 99 99 A Y < - 0 0 77 -3,-2.1 2,-0.2 -4,-0.1 0, 0.0 -0.919 66.0-171.0-112.8 146.0 14.7 23.3 51.1 100 100 A T >> + 0 0 129 -2,-0.4 3,-1.2 4,-0.1 4,-0.6 -0.708 47.4 18.9-127.3-177.4 13.7 23.2 54.8 101 101 A G H >> S- 0 0 51 1,-0.2 3,-1.5 -2,-0.2 4,-1.4 -0.179 128.0 -17.8 55.2-152.0 11.3 24.9 57.1 102 102 A E H 3> S+ 0 0 151 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.760 134.4 65.6 -55.7 -27.5 8.3 26.6 55.4 103 103 A K H <> S+ 0 0 95 -3,-1.2 4,-2.7 1,-0.2 -1,-0.3 0.867 98.8 53.5 -65.7 -33.1 10.1 26.6 52.1 104 104 A N H