==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-DEC-11 3V9M . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 ISOZYME PA-11; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDECHIS AUSTRALIS; . AUTHOR L.W.GUDDAT,E.K.MILLERS . 236 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 66.1 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 . 18 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 . 2 0.8 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 . 12 5.1 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 . 92 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 2 0 0 0 0 0 0 2 0 0 0 0 0 0 2 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 . 4 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 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 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 34 0, 0.0 4,-2.3 0, 0.0 63,-0.2 0.000 360.0 360.0 360.0 172.3 1.3 17.7 4.2 2 2 A L H > + 0 0 87 61,-1.8 4,-2.0 1,-0.2 5,-0.1 0.841 360.0 53.3 -60.4 -36.0 1.8 20.7 6.6 3 3 A I H > S+ 0 0 51 60,-0.2 4,-2.0 2,-0.2 187,-0.3 0.940 110.3 47.5 -60.3 -48.8 5.5 19.8 7.4 4 4 A Q H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 109.0 54.7 -56.8 -42.6 6.3 19.7 3.6 5 5 A F H X S+ 0 0 22 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.904 106.6 51.2 -58.3 -43.7 4.6 23.0 3.1 6 6 A G H X S+ 0 0 13 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.898 109.4 50.8 -61.1 -39.2 6.8 24.5 5.8 7 7 A N H X S+ 0 0 9 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.892 108.4 52.0 -66.2 -35.3 9.7 23.1 4.0 8 8 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.877 105.3 55.3 -66.2 -40.1 8.5 24.7 0.7 9 9 A I H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 6,-0.3 0.940 109.3 46.3 -58.2 -45.3 8.2 28.0 2.4 10 10 A Q H <>S+ 0 0 9 -4,-1.8 5,-1.5 1,-0.2 4,-0.3 0.847 110.9 55.1 -64.8 -34.6 11.9 27.8 3.5 11 11 A a H ><5S+ 0 0 10 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.958 112.0 40.6 -61.3 -52.6 12.8 26.7 -0.1 12 12 A A H 3<5S+ 0 0 17 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.806 119.0 44.3 -69.9 -33.6 11.1 29.7 -1.8 13 13 A N T ><5S- 0 0 13 -4,-2.1 3,-2.0 -5,-0.2 -1,-0.2 0.254 106.5-120.2 -97.9 12.9 12.3 32.4 0.8 14 14 A K T < 5 - 0 0 106 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.794 68.0 -64.6 52.5 31.6 15.9 31.1 1.0 15 15 A G T 3 - 0 0 70 0, 0.0 3,-1.0 0, 0.0 4,-0.2 -0.179 24.5-126.4 -58.4 148.4 10.6 30.9 9.8 19 19 A S G > S+ 0 0 32 171,-0.3 3,-2.1 1,-0.2 4,-0.1 0.846 105.4 66.0 -65.4 -35.3 7.6 29.0 8.6 20 20 A L G > S+ 0 0 129 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.764 85.4 72.6 -60.3 -24.0 5.7 29.5 11.9 21 21 A D G < S+ 0 0 41 -3,-1.0 -1,-0.3 1,-0.3 3,-0.2 0.703 99.6 47.9 -64.1 -18.1 5.5 33.2 11.2 22 22 A Y G < S+ 0 0 18 -3,-2.1 3,-0.4 -4,-0.2 -1,-0.3 0.322 88.3 85.1-102.6 3.8 2.9 32.4 8.6 23 23 A A S < S+ 0 0 54 -3,-1.8 8,-0.4 1,-0.3 -1,-0.1 0.623 103.2 23.5 -87.6 -12.4 0.8 30.1 10.7 24 24 A D S S+ 0 0 58 -4,-0.3 86,-3.0 -3,-0.2 2,-0.4 -0.595 88.0 132.6-151.2 81.1 -1.3 32.8 12.3 25 25 A Y B > -AB 29 109A 0 4,-2.1 4,-1.8 -3,-0.4 3,-0.4 -0.997 61.6 -31.9-140.9 136.0 -1.3 35.9 10.1 26 26 A G T 4 S- 0 0 2 82,-3.2 85,-0.3 -2,-0.4 6,-0.1 -0.104 101.2 -48.6 56.7-150.6 -4.1 38.2 8.9 27 27 A b T 4 S+ 0 0 1 89,-0.1 7,-0.9 9,-0.1 -1,-0.2 0.633 135.8 29.5 -93.1 -17.5 -7.5 36.8 8.2 28 28 A Y T 4 S+ 0 0 19 -3,-0.4 2,-0.8 5,-0.2 -2,-0.2 0.643 86.5 96.2-120.6 -23.3 -6.5 33.8 6.1 29 29 A c B < S-A 25 0A 6 -4,-1.8 -4,-2.1 2,-0.0 2,-0.3 -0.669 96.9 -3.1 -78.2 109.5 -3.0 32.5 7.1 30 30 A G S S- 0 0 36 -2,-0.8 -6,-0.2 -6,-0.2 -7,-0.1 -0.802 130.7 -14.8 107.3-154.4 -3.8 29.7 9.5 31 31 A W S S+ 0 0 232 -8,-0.4 -1,-0.2 -2,-0.3 -7,-0.1 0.831 110.2 93.9 -60.8 -32.7 -7.1 28.5 10.9 32 32 A G + 0 0 22 -3,-0.3 -2,-0.1 -6,-0.1 -5,-0.1 -0.062 38.6 163.8 -54.2 156.5 -8.9 31.7 9.7 33 33 A G + 0 0 47 84,-0.1 2,-0.3 -4,-0.1 -5,-0.2 0.123 42.2 86.9-166.4 42.5 -10.7 31.8 6.3 34 34 A S + 0 0 61 -7,-0.9 2,-0.1 2,-0.1 84,-0.0 -0.972 61.3 17.8-146.1 158.0 -13.0 34.8 6.2 35 35 A G S S- 0 0 19 -2,-0.3 82,-0.1 2,-0.1 83,-0.1 -0.314 96.3 -29.7 86.5-165.4 -13.4 38.5 5.5 36 36 A T - 0 0 116 80,-0.2 -9,-0.1 -2,-0.1 82,-0.1 -0.781 68.1-112.6 -91.2 128.2 -11.2 40.8 3.5 37 37 A P - 0 0 17 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.284 21.1-138.0 -57.6 143.9 -7.5 39.9 3.5 38 38 A V - 0 0 45 70,-0.1 2,-0.3 1,-0.0 -12,-0.1 0.710 69.7 -16.3 -83.7 -21.6 -5.5 42.6 5.4 39 39 A D S > S- 0 0 8 1,-0.1 4,-1.9 69,-0.1 -1,-0.0 -0.905 84.6 -67.9-163.0-171.9 -2.5 42.8 3.0 40 40 A E H > S+ 0 0 76 -2,-0.3 4,-1.5 2,-0.2 62,-0.1 0.908 127.7 47.7 -61.5 -44.5 -0.6 41.3 0.1 41 41 A L H > S+ 0 0 0 62,-0.5 4,-1.4 1,-0.2 3,-0.4 0.941 109.6 53.4 -61.5 -44.4 0.7 38.3 2.2 42 42 A D H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 103.1 58.3 -61.8 -33.9 -2.8 37.7 3.5 43 43 A R H X S+ 0 0 128 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.894 100.6 56.5 -61.4 -39.6 -4.1 37.6 -0.1 44 44 A d H X S+ 0 0 3 -4,-1.5 4,-2.0 -3,-0.4 -1,-0.2 0.901 108.1 48.3 -52.7 -42.3 -1.6 34.7 -0.8 45 45 A c H X S+ 0 0 4 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.845 106.4 55.6 -74.3 -34.0 -3.3 32.8 2.1 46 46 A Q H X S+ 0 0 57 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.922 109.4 46.9 -57.9 -48.3 -6.8 33.5 0.8 47 47 A V H X S+ 0 0 96 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.899 112.8 50.2 -59.7 -42.3 -5.7 32.0 -2.6 48 48 A H H X S+ 0 0 17 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.857 108.5 51.6 -65.5 -38.1 -4.2 29.0 -0.7 49 49 A D H X S+ 0 0 39 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.908 110.0 50.0 -63.1 -43.4 -7.4 28.5 1.4 50 50 A N H X S+ 0 0 89 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.910 110.6 50.1 -61.0 -41.0 -9.4 28.5 -1.9 51 51 A e H X S+ 0 0 31 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.901 109.8 50.1 -65.3 -41.0 -7.0 25.9 -3.3 52 52 A Y H X S+ 0 0 31 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.870 108.0 53.1 -67.4 -35.5 -7.4 23.8 -0.2 53 53 A E H X S+ 0 0 112 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.913 109.3 49.5 -64.0 -41.3 -11.2 23.9 -0.5 54 54 A Q H X S+ 0 0 114 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.902 109.0 52.4 -61.9 -41.8 -10.9 22.7 -4.0 55 55 A A H <>S+ 0 0 0 -4,-2.3 5,-2.9 2,-0.2 4,-0.3 0.921 108.6 50.4 -59.7 -46.0 -8.6 19.9 -2.9 56 56 A G H ><5S+ 0 0 35 -4,-2.3 3,-1.9 3,-0.2 -1,-0.2 0.919 108.3 51.5 -56.9 -45.7 -11.2 18.8 -0.3 57 57 A K H 3<5S+ 0 0 149 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.793 104.4 57.4 -66.9 -26.3 -13.9 18.8 -3.0 58 58 A K T 3<5S- 0 0 106 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.514 130.5-101.9 -73.7 -8.3 -11.6 16.6 -5.1 59 59 A G T < 5S+ 0 0 53 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.591 78.7 136.5 97.3 15.5 -11.8 14.3 -2.0 60 60 A f < - 0 0 7 -5,-2.9 -1,-0.3 -6,-0.2 3,-0.1 -0.590 53.6-144.6 -95.3 154.7 -8.3 15.2 -0.6 61 61 A F >> - 0 0 154 -2,-0.2 4,-2.0 1,-0.1 3,-1.8 -0.836 22.3-171.0-112.1 85.9 -7.2 15.9 2.9 62 62 A P T 34 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 0.725 79.2 57.4 -59.0 -27.2 -4.6 18.7 2.1 63 63 A K T 34 S+ 0 0 99 1,-0.2 -61,-1.8 -62,-0.1 -60,-0.2 0.804 119.4 32.6 -71.6 -24.4 -3.1 18.9 5.6 64 64 A L T <4 S+ 0 0 127 -3,-1.8 -1,-0.2 -63,-0.2 -4,-0.0 0.686 84.0 121.1-104.0 -28.3 -2.3 15.2 5.4 65 65 A T < - 0 0 19 -4,-2.0 2,-0.8 1,-0.1 -5,-0.0 -0.160 51.6-149.5 -50.2 127.4 -1.6 14.6 1.7 66 66 A L + 0 0 86 -62,-0.0 -1,-0.1 -65,-0.0 19,-0.1 -0.828 28.8 166.8-108.0 97.3 2.0 13.2 1.4 67 67 A Y - 0 0 11 -2,-0.8 2,-0.5 18,-0.1 19,-0.1 -0.302 36.7-109.0-101.5-178.5 3.4 14.3 -2.0 68 68 A S + 0 0 39 -2,-0.1 11,-3.1 17,-0.1 12,-1.9 -0.980 43.1 161.3-116.5 125.2 6.7 14.4 -3.7 69 69 A W E -C 78 0B 9 -2,-0.5 2,-0.4 9,-0.3 9,-0.2 -0.977 23.3-151.1-142.4 153.4 8.4 17.8 -4.3 70 70 A K E -C 77 0B 84 7,-3.0 7,-2.6 -2,-0.3 2,-1.1 -0.987 17.6-135.3-127.0 134.6 11.9 19.2 -5.0 71 71 A a E -C 76 0B 2 -2,-0.4 2,-0.7 51,-0.3 67,-0.4 -0.779 33.6-176.1 -84.1 102.5 13.4 22.5 -4.1 72 72 A T E > -C 75 0B 80 3,-2.4 3,-0.6 -2,-1.1 -2,-0.0 -0.872 66.0 -27.9-109.8 104.6 15.0 23.3 -7.5 73 73 A G T 3 S- 0 0 34 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.0 0.927 126.4 -47.5 56.0 47.9 17.0 26.5 -7.5 74 74 A N T 3 S+ 0 0 41 1,-0.2 -1,-0.2 -3,-0.1 -60,-0.1 0.640 118.1 113.5 69.7 17.9 14.9 28.1 -4.7 75 75 A V E < -C 72 0B 68 -3,-0.6 -3,-2.4 -62,-0.1 2,-0.3 -0.960 67.3-132.3-123.2 112.5 11.7 27.1 -6.5 76 76 A P E -C 71 0B 3 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.510 32.9-171.5 -66.1 123.7 9.4 24.5 -4.9 77 77 A T E -C 70 0B 57 -7,-2.6 -7,-3.0 -2,-0.3 2,-0.3 -0.969 19.4-127.7-127.3 127.8 8.6 22.0 -7.7 78 78 A g E +C 69 0B 42 -2,-0.4 -9,-0.3 -9,-0.2 8,-0.1 -0.579 22.4 177.1 -80.1 132.7 6.0 19.2 -7.6 79 79 A N + 0 0 72 -11,-3.1 -10,-0.2 -2,-0.3 -1,-0.2 0.742 57.4 95.5 -98.3 -37.1 7.2 15.7 -8.7 80 80 A S - 0 0 21 -12,-1.9 -13,-0.0 5,-0.2 3,-0.0 -0.363 54.6-171.9 -53.1 132.2 3.8 14.0 -8.0 81 81 A K + 0 0 188 1,-0.0 2,-0.3 -2,-0.0 -1,-0.1 0.740 53.3 39.9-103.8 -32.0 2.0 13.9 -11.3 82 82 A P S > S- 0 0 97 0, 0.0 4,-1.7 0, 0.0 3,-0.3 -0.761 90.8 -7.6-122.9 167.6 -1.5 12.7 -10.4 83 83 A G H > S- 0 0 39 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.041 109.4 -21.9 66.8-150.8 -4.4 12.8 -8.0 84 84 A f H > S+ 0 0 41 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.871 132.6 60.8 -65.8 -37.7 -4.5 14.5 -4.6 85 85 A K H > S+ 0 0 117 -3,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.917 109.1 40.5 -57.0 -45.7 -0.7 14.4 -4.3 86 86 A S H X S+ 0 0 27 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.915 118.1 47.6 -71.4 -39.0 -0.2 16.5 -7.4 87 87 A F H X S+ 0 0 67 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.942 114.6 43.3 -69.6 -49.1 -3.1 18.9 -6.7 88 88 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.883 112.0 55.9 -62.9 -38.6 -2.2 19.6 -3.1 89 89 A g H X S+ 0 0 0 -4,-1.6 4,-3.0 -5,-0.4 5,-0.2 0.940 106.1 50.9 -58.7 -46.4 1.4 19.9 -4.0 90 90 A A H X S+ 0 0 52 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.898 107.7 52.9 -58.1 -44.0 0.6 22.6 -6.5 91 91 A e H X S+ 0 0 3 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.928 113.7 43.3 -54.4 -49.6 -1.5 24.5 -3.9 92 92 A D H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.918 112.2 51.5 -66.6 -44.3 1.5 24.5 -1.5 93 93 A A H X S+ 0 0 3 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.911 111.0 48.7 -60.3 -43.5 4.1 25.4 -4.1 94 94 A A H X S+ 0 0 52 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.908 112.3 47.7 -65.5 -43.0 2.1 28.4 -5.3 95 95 A A H X S+ 0 0 5 -4,-1.9 4,-3.1 -5,-0.2 5,-0.2 0.924 109.5 53.7 -62.6 -44.7 1.6 29.7 -1.8 96 96 A A H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.917 111.4 45.2 -57.1 -43.7 5.3 29.3 -0.9 97 97 A K H X S+ 0 0 96 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.897 113.4 51.2 -66.1 -39.4 6.3 31.3 -4.0 98 98 A d H X S+ 0 0 42 -4,-2.3 4,-1.2 1,-0.2 3,-0.4 0.912 108.9 50.2 -62.9 -44.5 3.6 33.9 -3.1 99 99 A F H < S+ 0 0 7 -4,-3.1 3,-0.3 1,-0.2 -1,-0.2 0.903 106.5 56.4 -60.2 -41.0 4.8 34.2 0.5 100 100 A A H < S+ 0 0 41 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.797 111.8 40.6 -66.7 -29.3 8.4 34.7 -0.6 101 101 A K H < S+ 0 0 168 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.633 100.3 88.6 -94.8 -12.2 7.6 37.7 -2.8 102 102 A A S < S- 0 0 11 -4,-1.2 2,-0.4 -3,-0.3 -4,-0.0 -0.558 82.7-113.3 -85.7 145.8 5.1 39.3 -0.4 103 103 A P - 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