==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-MAR-12 4E4C . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: NOTECHIS SCUTATUS SCUTATUS; . AUTHOR A.ULLAH,P.SPENCER,M.T.MURAKAMI,R.K.ARNI . 118 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 64.4 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 . 9 7.6 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 . 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 . 7 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 0 0 0 0 0 0 1 0 0 0 0 0 0 1 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 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 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 N > 0 0 39 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 178.2 24.9 -34.5 -14.3 2 2 A L H > + 0 0 75 61,-0.6 4,-2.5 1,-0.2 5,-0.2 0.853 360.0 58.5 -69.0 -32.6 21.9 -34.0 -12.0 3 3 A V H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 110.5 44.2 -55.9 -47.4 22.4 -37.4 -10.3 4 4 A Q H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.876 108.8 55.9 -64.8 -41.8 25.9 -36.2 -9.3 5 5 A F H X S+ 0 0 22 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.924 106.0 52.4 -59.2 -43.5 24.7 -32.7 -8.3 6 6 A S H X S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.947 108.3 51.0 -58.1 -43.7 22.3 -34.5 -5.9 7 7 A Y H X S+ 0 0 146 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.912 111.0 48.7 -58.4 -41.6 25.3 -36.4 -4.4 8 8 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.892 109.8 51.0 -64.7 -43.6 27.2 -33.1 -3.9 9 9 A I H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 6,-0.3 0.928 112.9 44.9 -58.1 -49.1 24.3 -31.4 -2.2 10 10 A Q H <>S+ 0 0 54 -4,-2.3 5,-1.2 2,-0.2 4,-0.4 0.842 112.9 51.8 -67.4 -34.4 23.9 -34.3 0.2 11 11 A a H ><5S+ 0 0 14 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.974 113.0 45.5 -61.7 -52.2 27.6 -34.4 0.8 12 12 A A H 3<5S+ 0 0 9 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.755 119.1 39.3 -62.6 -35.5 27.7 -30.7 1.6 13 13 A N T ><5S- 0 0 10 -4,-2.2 3,-0.8 -5,-0.2 -1,-0.3 0.328 105.6-123.5 -97.4 5.7 24.6 -30.7 3.9 14 14 A H T < 5S- 0 0 136 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.724 70.1 -58.8 55.9 25.4 25.6 -34.1 5.6 15 15 A G T 3 - 0 0 54 0, 0.0 3,-1.4 0, 0.0 4,-0.1 -0.401 30.3-119.9 -65.6 150.2 16.5 -34.3 0.6 19 19 A T G > S+ 0 0 21 1,-0.2 3,-2.7 2,-0.2 4,-0.1 0.841 109.9 69.6 -58.3 -33.7 17.7 -32.9 -2.6 20 20 A W G > S+ 0 0 146 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.774 82.4 73.1 -62.0 -20.5 14.1 -32.6 -3.8 21 21 A H G < S+ 0 0 39 -3,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.636 97.0 51.3 -64.0 -13.0 13.6 -29.8 -1.2 22 22 A Y G < S+ 0 0 18 -3,-2.7 3,-0.3 -4,-0.1 -1,-0.3 0.291 92.1 78.5-106.9 9.9 15.7 -27.6 -3.6 23 23 A M S < S+ 0 0 103 -3,-1.8 8,-0.4 1,-0.2 -2,-0.1 0.476 103.0 25.8-105.1 -6.8 13.7 -28.4 -6.7 24 24 A D S S+ 0 0 61 -4,-0.3 87,-3.3 -3,-0.2 2,-0.4 -0.308 88.0 127.4-147.3 63.1 10.7 -26.1 -6.2 25 25 A Y B > -AB 29 110A 0 4,-2.0 4,-1.9 -3,-0.3 3,-0.3 -0.959 67.6 -33.0-124.3 135.2 11.8 -23.2 -4.0 26 26 A G T 4 S- 0 0 2 83,-3.5 86,-0.3 -2,-0.4 88,-0.1 -0.085 102.1 -48.5 58.8-155.0 11.5 -19.4 -4.6 27 27 A b T 4 S+ 0 0 11 9,-0.1 7,-0.4 90,-0.1 -1,-0.2 0.678 136.3 27.6 -82.7 -21.1 11.7 -18.1 -8.1 28 28 A Y T 4 S+ 0 0 15 -3,-0.3 2,-1.2 5,-0.2 -2,-0.2 0.605 85.7 95.5-122.0 -21.3 14.8 -19.9 -9.2 29 29 A c B < S+A 25 0A 3 -4,-1.9 -4,-2.0 19,-0.0 2,-0.3 -0.682 89.6 35.9 -80.4 101.8 15.3 -23.2 -7.4 30 30 A G S S- 0 0 30 -2,-1.2 -6,-0.2 -6,-0.2 -7,-0.0 -0.869 116.7 -46.1 138.2-179.2 13.7 -25.4 -10.0 31 31 A A S S+ 0 0 110 -8,-0.4 -1,-0.2 -2,-0.3 -7,-0.1 0.963 113.7 34.9 -57.0 -61.9 13.5 -25.5 -13.8 32 32 A G - 0 0 52 -3,-0.1 -2,-0.1 2,-0.0 2,-0.1 0.289 62.3-174.1 -72.7-161.6 12.7 -21.9 -14.6 33 33 A G + 0 0 41 -4,-0.1 2,-0.3 16,-0.0 -5,-0.2 -0.159 19.6 129.6 162.4 120.8 13.7 -18.6 -13.2 34 34 A S + 0 0 80 -7,-0.4 2,-0.2 -2,-0.1 -2,-0.0 -0.935 46.1 55.7-152.3 166.8 13.0 -14.9 -13.5 35 35 A G S S- 0 0 33 -2,-0.3 83,-0.1 2,-0.1 82,-0.0 -0.467 97.5 -38.8 107.8 178.8 12.1 -12.1 -11.1 36 36 A T - 0 0 120 81,-0.2 -9,-0.1 -2,-0.2 -2,-0.1 -0.697 68.2-110.0 -77.6 126.5 13.9 -11.0 -7.9 37 37 A P - 0 0 26 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.341 24.5-137.1 -51.0 132.3 15.3 -13.9 -5.9 38 38 A V - 0 0 39 71,-0.1 2,-0.2 1,-0.0 -12,-0.1 0.637 69.5 -19.9 -77.2 -18.0 13.2 -14.2 -2.8 39 39 A D S > S- 0 0 26 1,-0.0 4,-1.9 70,-0.0 5,-0.1 -0.929 85.8 -67.9-168.2-179.8 16.1 -14.8 -0.2 40 40 A E H > S+ 0 0 92 -2,-0.2 4,-1.7 1,-0.2 63,-0.1 0.897 129.4 51.5 -50.7 -46.9 19.8 -16.0 0.1 41 41 A L H > S+ 0 0 1 63,-0.4 4,-1.5 1,-0.2 3,-0.2 0.928 108.3 50.7 -61.2 -41.1 18.9 -19.6 -0.9 42 42 A D H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 106.5 56.1 -64.0 -33.7 17.0 -18.4 -4.0 43 43 A R H X S+ 0 0 136 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.847 102.3 56.1 -66.7 -35.3 20.1 -16.3 -5.0 44 44 A d H X S+ 0 0 3 -4,-1.7 4,-2.1 -3,-0.2 -1,-0.2 0.894 108.3 47.6 -56.5 -44.3 22.2 -19.5 -4.9 45 45 A c H X S+ 0 0 4 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.862 108.0 54.4 -70.2 -34.1 19.8 -21.1 -7.4 46 46 A K H X S+ 0 0 68 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.928 109.7 48.0 -64.0 -46.4 19.9 -18.0 -9.7 47 47 A I H X S+ 0 0 83 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.904 111.2 51.4 -57.4 -44.5 23.7 -18.2 -9.8 48 48 A H H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.920 108.5 50.0 -62.7 -41.9 23.4 -21.9 -10.5 49 49 A D H X S+ 0 0 42 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.907 111.8 48.4 -60.1 -46.0 21.0 -21.3 -13.4 50 50 A D H X S+ 0 0 89 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.882 110.4 52.9 -61.7 -40.3 23.4 -18.6 -14.9 51 51 A e H X S+ 0 0 27 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.933 111.2 45.3 -61.1 -46.0 26.2 -21.1 -14.5 52 52 A Y H X S+ 0 0 28 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.884 111.3 52.5 -65.3 -38.9 24.3 -23.9 -16.4 53 53 A D H X S+ 0 0 104 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.960 110.6 47.9 -61.5 -50.6 23.3 -21.4 -19.2 54 54 A E H X S+ 0 0 91 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.921 111.1 51.8 -51.6 -47.6 27.0 -20.4 -19.6 55 55 A A H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 6,-0.3 0.872 109.1 49.2 -61.3 -40.4 28.0 -24.1 -19.7 56 56 A G H ><5S+ 0 0 42 -4,-2.3 3,-1.5 1,-0.2 5,-0.2 0.905 109.5 51.7 -67.5 -40.7 25.4 -24.9 -22.4 57 57 A K H 3<5S+ 0 0 180 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.744 106.9 55.1 -64.6 -28.2 26.6 -22.0 -24.5 58 58 A K T 3<5S- 0 0 116 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.402 121.1-109.7 -75.8 -4.7 30.2 -23.4 -24.1 59 59 A G T < 5S+ 0 0 44 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.762 81.7 128.0 78.4 25.5 29.0 -26.7 -25.5 60 60 A f < - 0 0 3 -5,-2.7 5,-0.3 -6,-0.2 -4,-0.2 0.456 57.2-144.3 -97.0 -1.9 29.3 -28.5 -22.1 61 61 A F >> - 0 0 129 -6,-0.3 4,-2.4 -5,-0.2 3,-1.6 0.893 15.4-167.0 42.9 64.0 25.8 -30.2 -21.7 62 62 A P T 34 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 0.743 84.2 46.9 -60.7 -23.7 25.7 -29.6 -17.9 63 63 A K T 34 S+ 0 0 126 -62,-0.1 -61,-0.6 1,-0.1 -2,-0.1 0.629 118.5 40.1 -93.0 -11.4 22.7 -32.0 -17.5 64 64 A M T <4 S+ 0 0 152 -3,-1.6 2,-0.4 -63,-0.1 -1,-0.1 0.685 92.5 94.9-105.6 -26.9 24.3 -34.7 -19.7 65 65 A S < - 0 0 25 -4,-2.4 2,-0.6 -5,-0.3 -5,-0.0 -0.582 59.3-149.3 -82.7 126.8 27.9 -34.7 -18.6 66 66 A A - 0 0 58 -2,-0.4 2,-0.2 -63,-0.0 20,-0.1 -0.832 24.7-171.0 -90.7 118.2 29.3 -37.1 -15.9 67 67 A Y - 0 0 10 -2,-0.6 2,-0.5 19,-0.1 20,-0.1 -0.504 24.5-105.1-106.4 173.1 32.2 -35.4 -14.1 68 68 A D + 0 0 75 -2,-0.2 11,-2.9 2,-0.0 12,-0.9 -0.873 49.3 150.6-102.8 129.6 34.7 -36.6 -11.6 69 69 A Y E -C 78 0B 59 -2,-0.5 2,-0.3 9,-0.3 9,-0.2 -0.930 30.5-144.2-146.5 169.6 34.3 -35.6 -7.9 70 70 A Y E -C 77 0B 131 7,-2.2 7,-2.7 -2,-0.3 2,-0.7 -0.990 10.7-142.3-136.4 142.9 35.0 -36.8 -4.4 71 71 A a E +C 76 0B 56 -2,-0.3 2,-0.1 5,-0.2 -2,-0.0 -0.918 31.7 177.4-106.8 106.1 33.0 -36.3 -1.2 72 72 A G E > -C 75 0B 15 3,-2.2 3,-0.7 -2,-0.7 -2,-0.0 -0.176 50.7 -99.1 -92.6-174.7 35.4 -35.8 1.6 73 73 A E T 3 S+ 0 0 180 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.737 128.0 61.4 -77.0 -20.2 34.8 -35.0 5.3 74 74 A N T 3 S- 0 0 150 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.523 123.7-103.2 -69.5 -8.6 35.5 -31.4 4.1 75 75 A G E < -C 72 0B 5 -3,-0.7 -3,-2.2 2,-0.0 -1,-0.3 -0.642 61.9 -31.1 101.5-172.7 32.4 -31.7 1.8 76 76 A P E +C 71 0B 4 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.433 54.5 178.1 -88.7 160.1 32.5 -32.3 -1.9 77 77 A Y E -C 70 0B 104 -7,-2.7 -7,-2.2 -2,-0.1 2,-0.2 -0.998 29.6-104.3-153.3 158.3 35.0 -31.2 -4.6 78 78 A g E -C 69 0B 15 -2,-0.3 -9,-0.3 -9,-0.2 9,-0.1 -0.487 21.5-174.8 -78.9 142.9 35.8 -31.5 -8.3 79 79 A R + 0 0 133 -11,-2.9 -10,-0.2 -2,-0.2 -1,-0.1 0.661 48.8 103.4-114.5 -19.4 38.5 -33.8 -9.6 80 80 A N + 0 0 16 -12,-0.9 -2,-0.0 1,-0.2 -13,-0.0 -0.351 26.1 150.7 -62.2 136.9 38.7 -33.1 -13.4 81 81 A I S S+ 0 0 134 -2,-0.1 -1,-0.2 6,-0.0 6,-0.1 0.591 73.8 39.6-126.4 -53.1 41.5 -31.0 -14.7 82 82 A K S S+ 0 0 196 1,-0.2 2,-1.2 2,-0.1 -2,-0.1 0.833 105.7 68.4 -68.3 -37.7 42.3 -32.0 -18.4 83 83 A K > - 0 0 143 1,-0.2 4,-2.0 2,-0.1 -1,-0.2 -0.739 69.6-177.9 -85.2 92.4 38.6 -32.5 -19.3 84 84 A K H > S+ 0 0 156 -2,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.771 74.9 52.4 -70.9 -36.1 37.6 -28.7 -19.1 85 85 A f H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.949 110.3 50.2 -65.2 -46.9 33.9 -29.0 -19.9 86 86 A L H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.913 112.0 48.5 -52.0 -47.1 33.6 -31.6 -17.1 87 87 A R H X S+ 0 0 88 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.918 108.9 51.7 -60.7 -46.7 35.4 -29.3 -14.7 88 88 A F H X S+ 0 0 46 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.916 113.2 44.8 -58.8 -45.9 33.3 -26.2 -15.5 89 89 A V H >X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.5 0.935 112.7 50.7 -64.7 -47.3 30.0 -28.1 -14.9 90 90 A g H 3X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.898 107.0 55.1 -60.2 -40.6 31.3 -29.7 -11.7 91 91 A D H 3X S+ 0 0 65 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.817 105.5 52.4 -61.5 -34.1 32.3 -26.3 -10.4 92 92 A e H - 0 0 80 -2,-0.8 3,-2.6 1,-0.2 4,-0.3 -0.813 7.3-157.6 -96.9 107.7 12.7 -20.7 4.7 107 107 A N G > S+ 0 0 117 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.760 89.9 67.3 -53.3 -30.1 9.7 -23.0 4.5 108 108 A A G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.646 99.6 53.4 -64.4 -15.2 7.4 -20.1 3.5 109 109 A N G X S+ 0 0 12 -3,-2.6 -83,-3.5 3,-0.1 3,-0.5 0.422 81.5 107.4-105.0 -1.7 9.4 -20.0 0.2 110 110 A W B < S-B 25 0A 85 -3,-1.4 -85,-0.2 -4,-0.3 -88,-0.1 -0.633 95.5 -6.6 -72.9 131.3 8.9 -23.7 -0.7 111 111 A N T 3 S+ 0 0 100 -87,-3.3 -1,-0.2 -2,-0.3 -86,-0.1 0.919 90.7 177.6 51.3 60.8 6.5 -24.1 -3.6 112 112 A I < - 0 0 20 -3,-0.5 2,-1.4 -86,-0.3 3,-0.1 -0.338 44.9 -88.7 -87.8 173.7 5.3 -20.5 -3.9 113 113 A D > - 0 0 84 1,-0.2 4,-1.8 -2,-0.1 5,-0.1 -0.718 45.7-176.1 -79.2 88.9 3.0 -18.9 -6.4 114 114 A T H > S+ 0 0 54 -2,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.831 78.6 54.8 -63.7 -34.1 5.6 -18.1 -9.0 115 115 A K H 4 S+ 0 0 189 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.938 115.1 38.7 -62.7 -47.2 3.1 -16.3 -11.3 116 116 A K H 4 S+ 0 0 169 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.769 129.1 31.6 -70.5 -27.0 2.1 -13.9 -8.5 117 117 A R H < 0 0 113 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.383 360.0 360.0-119.7 1.9 5.6 -13.5 -7.0 118 118 A b < 0 0 47 -4,-1.6 -3,-0.1 -3,-0.2 -2,-0.1 0.298 360.0 360.0-133.4 360.0 8.3 -13.8 -9.8