==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUL-04 1U4J . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 ISOFORM 2; . SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS CAERULEUS; . AUTHOR G.SINGH,S.GOURINATH,S.SHARMA,S.BHANUMATHI,C.BETZEL, . 236 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 63.1 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 . 14 5.9 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 . 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 . 14 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 36.4 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 0 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 . 2 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 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 N >> 0 0 32 0, 0.0 4,-2.2 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 174.2 21.0 17.7 -9.4 2 2 A L H 3> + 0 0 71 60,-1.7 4,-2.3 1,-0.3 5,-0.1 0.837 360.0 53.7 -51.7 -41.1 18.9 18.8 -6.4 3 3 A K H 3> S+ 0 0 133 59,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.860 109.7 48.8 -64.7 -35.1 17.9 15.2 -5.5 4 4 A Q H <> S+ 0 0 24 -3,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.916 109.3 52.5 -69.6 -39.9 21.6 14.2 -5.5 5 5 A F H X S+ 0 0 20 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.909 107.3 52.9 -60.5 -44.0 22.4 17.2 -3.3 6 6 A K H X S+ 0 0 64 -4,-2.3 4,-1.6 1,-0.2 11,-0.3 0.945 111.2 45.0 -58.2 -48.6 19.7 16.2 -0.8 7 7 A N H X S+ 0 0 57 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.898 110.5 54.7 -64.4 -37.9 21.2 12.7 -0.5 8 8 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.882 103.0 59.6 -60.2 -39.9 24.7 14.1 -0.2 9 9 A I H X S+ 0 0 6 -4,-2.3 4,-1.7 1,-0.3 -1,-0.2 0.928 112.0 35.8 -58.6 -46.9 23.5 16.2 2.7 10 10 A Q H < S+ 0 0 78 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.672 112.5 62.8 -83.1 -9.4 22.4 13.2 4.7 11 11 A a H < S+ 0 0 5 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.977 115.3 30.1 -72.0 -51.9 25.4 11.2 3.4 12 12 A A H < S+ 0 0 18 -4,-2.8 2,-0.2 60,-0.1 -2,-0.2 0.739 124.8 34.9 -80.6 -24.4 27.9 13.6 5.0 13 13 A G < - 0 0 16 -4,-1.7 87,-0.1 -5,-0.3 84,-0.1 -0.622 69.9-118.5-126.5-174.8 25.9 14.8 8.0 14 14 A T S S+ 0 0 141 -2,-0.2 2,-0.2 86,-0.1 -1,-0.1 0.878 94.7 66.7 -86.7 -44.7 23.4 14.0 10.7 15 17 A R S S- 0 0 67 84,-0.1 -2,-0.2 -6,-0.1 2,-0.1 -0.534 77.6-137.2 -82.7 146.6 20.8 16.5 9.7 16 18 A T > - 0 0 50 -2,-0.2 3,-1.3 -6,-0.1 4,-0.3 -0.326 34.4 -88.6 -93.5 176.7 18.9 16.1 6.4 17 19 A W G > S+ 0 0 90 -11,-0.3 3,-2.2 1,-0.3 -2,-0.0 0.804 119.4 67.5 -59.1 -33.8 18.1 18.8 3.8 18 20 A T G > S+ 0 0 80 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.811 91.4 65.5 -59.8 -23.5 14.8 19.8 5.4 19 21 A S G < S+ 0 0 26 -3,-1.3 -1,-0.3 1,-0.3 3,-0.2 0.749 104.4 45.2 -67.5 -23.2 16.9 21.1 8.3 20 22 A Y G < S+ 0 0 14 -3,-2.2 -1,-0.3 -4,-0.3 3,-0.2 -0.196 82.4 99.4-113.7 35.3 18.3 23.7 5.9 21 23 A I S < S+ 0 0 37 -3,-1.4 8,-0.3 1,-0.2 -1,-0.2 0.807 99.5 16.2 -89.9 -33.3 15.1 24.8 4.2 22 24 A G S S+ 0 0 37 -4,-0.4 88,-1.5 -3,-0.2 2,-0.4 -0.412 89.3 134.9-138.0 66.7 14.7 27.9 6.3 23 25 A Y B > -A 109 0A 1 4,-0.3 4,-1.7 -3,-0.2 3,-0.4 -0.917 61.7 -39.5-121.4 140.0 18.0 28.8 8.0 24 26 A G T 4 S- 0 0 6 84,-3.1 88,-0.4 -2,-0.4 87,-0.4 0.027 96.6 -49.4 48.6-154.1 19.8 32.1 8.4 25 27 A b T 4 S+ 0 0 6 9,-0.1 7,-0.7 1,-0.1 -1,-0.2 0.560 133.8 26.9 -92.5 -10.6 19.9 34.6 5.5 26 28 A Y T 4 S+ 0 0 27 -3,-0.4 2,-0.4 5,-0.2 -2,-0.2 0.541 84.5 104.3-129.8 -10.7 21.0 32.3 2.7 27 29 A c S < S+ 0 0 10 -4,-1.7 -4,-0.3 19,-0.0 2,-0.3 -0.634 86.9 12.0 -77.7 133.0 20.0 28.6 3.3 28 30 A G S S+ 0 0 36 -2,-0.4 -6,-0.1 -6,-0.1 2,-0.1 -0.749 122.4 4.6 101.4-151.5 17.0 27.8 1.1 29 31 A Y S S- 0 0 47 -8,-0.3 18,-0.0 -2,-0.3 -2,-0.0 -0.391 108.8 -49.3 -72.6 146.0 16.0 30.1 -1.7 30 32 A G - 0 0 12 -2,-0.1 2,-0.2 1,-0.1 17,-0.1 0.146 66.8-173.4 29.6-135.4 18.0 33.2 -2.6 31 33 A G - 0 0 20 4,-0.0 2,-0.3 81,-0.0 -5,-0.2 -0.543 14.2-148.4 131.4 159.4 18.8 35.5 0.3 32 34 A S + 0 0 43 -7,-0.7 2,-0.1 -2,-0.2 86,-0.0 -0.935 51.0 46.2-152.1 170.0 20.4 38.8 1.1 33 35 A G S S- 0 0 21 -2,-0.3 84,-0.2 85,-0.1 85,-0.1 -0.473 96.8 -36.1 89.8-166.4 22.4 40.4 3.9 34 36 A T - 0 0 100 82,-0.6 -9,-0.1 -2,-0.1 -2,-0.1 -0.844 66.2-107.3 -98.8 127.5 25.4 39.1 5.7 35 37 A P - 0 0 22 0, 0.0 6,-0.1 0, 0.0 -2,-0.1 -0.383 30.0-142.8 -53.9 124.8 25.5 35.3 6.4 36 38 A V - 0 0 47 72,-0.1 2,-0.3 4,-0.0 3,-0.0 0.716 66.0 -12.2 -65.3 -25.3 24.8 35.1 10.1 37 39 A D S > S- 0 0 16 1,-0.1 4,-2.5 71,-0.1 5,-0.2 -0.923 85.5 -68.7-161.0-175.2 27.2 32.3 10.8 38 40 A E H > S+ 0 0 83 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.925 127.1 46.5 -51.5 -54.6 29.3 29.4 9.6 39 41 A L H > S+ 0 0 0 64,-0.4 4,-1.9 1,-0.2 3,-0.2 0.932 112.5 50.0 -55.1 -48.9 26.4 27.3 8.3 40 42 A D H > S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.863 108.2 54.2 -60.3 -35.4 24.8 30.3 6.7 41 43 A R H X S+ 0 0 137 -4,-2.5 4,-2.4 2,-0.2 -1,-0.3 0.874 103.5 56.6 -67.2 -33.3 28.2 31.0 5.0 42 44 A d H X S+ 0 0 3 -4,-1.9 4,-2.3 -3,-0.2 -2,-0.2 0.955 110.6 43.3 -59.1 -49.5 28.1 27.4 3.7 43 45 A c H X S+ 0 0 6 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.848 109.9 56.8 -63.1 -39.1 24.7 28.2 2.0 44 46 A Y H X S+ 0 0 87 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.924 109.9 44.7 -58.7 -48.1 26.0 31.6 0.8 45 47 A T H X S+ 0 0 81 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.928 111.0 53.0 -64.4 -44.6 28.9 29.9 -1.0 46 48 A H H X S+ 0 0 16 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.890 106.3 54.6 -58.4 -40.9 26.7 27.1 -2.4 47 49 A D H X S+ 0 0 27 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.901 109.8 45.2 -59.2 -45.7 24.3 29.7 -3.9 48 50 A H H X S+ 0 0 81 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.864 110.2 55.8 -68.0 -35.8 27.1 31.4 -5.7 49 51 A e H X S+ 0 0 18 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.921 109.1 46.1 -62.8 -45.5 28.5 28.1 -6.9 50 52 A Y H X S+ 0 0 4 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.919 111.2 51.2 -63.5 -44.5 25.2 27.2 -8.5 51 53 A N H < S+ 0 0 50 -4,-2.1 4,-0.3 1,-0.2 3,-0.3 0.797 110.8 49.8 -62.7 -30.3 24.8 30.6 -10.0 52 54 A K H >< S+ 0 0 121 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.768 96.9 70.5 -80.4 -27.0 28.4 30.2 -11.5 53 55 A A H >< S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.821 87.8 65.0 -58.1 -29.5 27.4 26.7 -12.8 54 56 A A T 3< S+ 0 0 16 -4,-0.8 -1,-0.3 1,-0.3 5,-0.3 0.810 85.6 71.0 -63.8 -29.5 25.2 28.6 -15.4 55 57 A N T < S+ 0 0 69 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.403 85.8 85.6 -70.2 7.4 28.3 30.0 -17.0 56 58 A I S X S- 0 0 34 -3,-1.6 3,-1.2 3,-0.3 177,-0.1 -0.912 92.8-103.7-110.4 135.3 29.0 26.5 -18.2 57 59 A P T 3 S+ 0 0 103 0, 0.0 27,-0.1 0, 0.0 3,-0.1 -0.260 100.6 2.6 -56.3 141.3 27.4 25.3 -21.5 58 60 A G T 3 S+ 0 0 70 1,-0.2 2,-0.5 -4,-0.1 -4,-0.1 0.816 99.4 134.9 49.2 39.2 24.5 22.9 -21.1 59 61 A f < + 0 0 9 -3,-1.2 -3,-0.3 -5,-0.3 -1,-0.2 -0.938 25.3 167.2-126.2 112.4 24.7 23.2 -17.4 60 62 A N >> - 0 0 28 -2,-0.5 4,-2.3 1,-0.1 3,-0.8 -0.982 26.4-148.6-122.5 114.3 21.6 23.7 -15.2 61 63 A P T 34 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 0.756 91.2 51.4 -54.8 -31.7 22.4 23.1 -11.5 62 64 A L T 34 S+ 0 0 54 -61,-0.2 -60,-1.7 1,-0.1 -59,-0.3 0.799 123.1 24.4 -84.1 -22.9 19.0 21.8 -10.4 63 65 A I T <4 S+ 0 0 80 -3,-0.8 2,-0.3 -62,-0.2 -1,-0.1 0.577 86.0 112.2-115.8 -16.3 18.5 19.2 -13.1 64 66 A K < - 0 0 46 -4,-2.3 2,-0.5 1,-0.1 -5,-0.0 -0.477 58.2-146.3 -63.2 122.5 22.1 18.2 -14.3 65 67 A T - 0 0 91 -2,-0.3 2,-0.2 -64,-0.1 20,-0.1 -0.812 21.7-177.3 -94.6 124.8 22.7 14.6 -13.1 66 68 A Y - 0 0 8 -2,-0.5 2,-0.5 19,-0.1 20,-0.1 -0.545 28.7-101.8-113.6-179.3 26.2 13.8 -12.1 67 69 A S + 0 0 60 -2,-0.2 11,-2.3 2,-0.0 12,-0.8 -0.914 52.4 141.8-106.7 128.7 28.2 10.8 -11.0 68 70 A Y E -B 77 0B 51 -2,-0.5 2,-0.3 9,-0.3 9,-0.2 -0.978 32.3-145.3-158.2 160.1 28.9 10.4 -7.3 69 71 A T E -B 76 0B 57 7,-2.0 7,-2.3 -2,-0.3 2,-0.5 -0.943 6.5-148.2-129.9 150.7 29.1 7.7 -4.6 70 72 A a E +B 75 0B 55 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.987 17.4 173.2-122.4 122.2 28.3 7.8 -0.9 71 73 A T E > -B 74 0B 96 3,-3.4 3,-3.4 -2,-0.5 -2,-0.0 -0.812 65.5 -83.8-124.4 78.4 30.2 5.6 1.5 72 74 A K T 3 S+ 0 0 149 -2,-0.5 -60,-0.1 1,-0.4 -61,-0.1 0.069 115.5 8.1 -32.2 115.9 28.6 7.1 4.6 73 75 A P T 3 S+ 0 0 77 0, 0.0 2,-0.4 0, 0.0 -1,-0.4 -0.919 118.4 84.2 -98.3 16.2 29.8 9.7 5.6 74 76 A N E < -B 71 0B 100 -3,-3.4 -3,-3.4 -63,-0.0 2,-0.4 -0.675 54.2-164.3 -90.1 129.2 32.2 10.0 2.5 75 77 A I E -B 70 0B 6 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.895 4.5-169.3-107.7 135.9 31.1 11.6 -0.8 76 78 A T E -B 69 0B 70 -7,-2.3 -7,-2.0 -2,-0.4 2,-0.6 -0.986 13.8-148.4-129.9 124.9 33.0 11.1 -3.9 77 79 A g E -B 68 0B 37 -2,-0.4 -9,-0.3 -9,-0.2 9,-0.0 -0.819 12.7-170.6 -90.4 124.4 32.5 13.0 -7.2 78 80 A N + 0 0 90 -11,-2.3 -10,-0.2 -2,-0.6 -1,-0.1 0.703 45.8 105.7 -89.3 -25.0 33.4 10.7 -10.1 79 81 A D + 0 0 35 -12,-0.8 -2,-0.1 1,-0.2 -13,-0.0 -0.316 21.2 148.1 -66.5 140.4 33.3 13.0 -13.1 80 82 A T S S+ 0 0 92 -2,-0.1 -1,-0.2 6,-0.0 6,-0.1 0.536 77.2 39.3-129.6 -54.6 36.4 14.3 -14.8 81 83 A S S S+ 0 0 118 1,-0.2 2,-1.6 2,-0.0 3,-0.1 0.915 101.4 70.4 -67.1 -50.6 35.5 14.7 -18.4 82 84 A D > - 0 0 64 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.577 67.5-172.1 -72.5 90.1 32.0 16.1 -18.0 83 85 A S H > S+ 0 0 72 -2,-1.6 4,-2.6 1,-0.2 5,-0.2 0.837 81.2 51.6 -54.7 -41.4 33.0 19.6 -16.7 84 86 A f H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.954 112.6 46.5 -62.3 -47.9 29.4 20.6 -15.8 85 87 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.947 115.2 46.1 -57.9 -49.3 28.9 17.4 -13.9 86 88 A R H X S+ 0 0 125 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.876 112.5 49.4 -62.8 -40.9 32.2 17.7 -12.1 87 89 A F H X S+ 0 0 64 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.923 115.3 42.8 -63.2 -48.1 31.7 21.4 -11.2 88 90 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.864 110.1 54.9 -69.6 -39.2 28.2 21.0 -9.8 89 91 A g H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.896 109.8 50.6 -63.2 -35.1 29.0 17.8 -7.9 90 92 A D H X S+ 0 0 83 -4,-1.6 4,-2.7 -5,-0.2 5,-0.3 0.923 107.0 52.2 -67.7 -43.5 31.8 19.8 -6.3 91 93 A e H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.968 115.5 41.9 -52.9 -56.3 29.4 22.6 -5.4 92 94 A D H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.839 114.6 48.8 -60.1 -41.6 27.1 20.1 -3.7 93 95 A R H X S+ 0 0 95 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.939 111.5 50.7 -66.1 -47.1 29.8 18.0 -2.0 94 96 A T H X S+ 0 0 63 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.922 114.3 44.4 -56.0 -46.4 31.5 21.1 -0.6 95 97 A A H X S+ 0 0 4 -4,-2.2 4,-3.2 -5,-0.3 5,-0.2 0.959 111.8 51.5 -64.7 -51.1 28.1 22.3 0.8 96 98 A A H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.898 115.2 42.9 -53.0 -45.1 27.2 18.9 2.2 97 99 A I H X S+ 0 0 63 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.905 112.8 52.6 -69.5 -39.9 30.5 18.7 4.0 98 100 A d H X S+ 0 0 43 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.922 109.0 50.4 -61.3 -44.9 30.3 22.3 5.1 99 101 A F H < S+ 0 0 9 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.911 109.5 51.6 -59.2 -43.4 26.8 21.7 6.6 100 102 A A H < S+ 0 0 33 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.893 114.4 40.7 -63.5 -41.9 28.0 18.6 8.5 101 103 A S H < S+ 0 0 94 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.677 99.8 88.2 -82.0 -17.5 31.0 20.4 10.1 102 104 A A S < S- 0 0 2 -4,-1.7 2,-0.1 -5,-0.2 -65,-0.0 -0.528 83.3-110.4 -85.7 146.6 29.2 23.6 10.9 103 105 A P - 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