==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAR-97 2NOT . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: NOTECHIS SCUTATUS SCUTATUS; . AUTHOR E.CARREDANO,B.WESTERLUND,B.PERSSON,M.SAARINEN,S.RAMASWAMY, . 238 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 65.5 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 . 15 6.3 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 0.4 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 . 19 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 0 0 0 1 1 0 0 0 0 1 1 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 . 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 47 0, 0.0 4,-1.1 0, 0.0 62,-0.1 0.000 360.0 360.0 360.0-179.1 0.1 7.7 31.6 2 2 A L H > + 0 0 50 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.653 360.0 59.1 -72.7 -23.5 2.0 4.6 32.6 3 3 A V H > S+ 0 0 91 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.925 110.8 45.6 -69.7 -42.3 2.3 2.9 29.2 4 4 A Q H > S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.780 109.4 54.8 -67.6 -32.4 4.1 6.1 28.1 5 5 A F H X S+ 0 0 6 -4,-1.1 4,-2.2 2,-0.2 3,-0.2 0.963 106.8 50.6 -65.6 -50.2 6.2 6.1 31.3 6 6 A S H X S+ 0 0 39 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.855 111.5 49.8 -53.3 -37.7 7.3 2.5 30.4 7 7 A Y H X S+ 0 0 136 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.872 108.8 50.5 -68.6 -38.4 8.2 3.8 26.9 8 8 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 -3,-0.2 -2,-0.2 0.822 109.4 53.3 -69.0 -29.7 10.2 6.8 28.4 9 9 A I H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.929 109.2 46.8 -66.9 -50.0 12.1 4.3 30.6 10 10 A Q H X>S+ 0 0 57 -4,-1.9 5,-1.3 1,-0.2 4,-1.0 0.765 112.8 50.3 -67.5 -25.7 13.1 2.1 27.7 11 11 A a H <5S+ 0 0 11 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.901 111.2 46.9 -76.5 -44.5 14.2 5.0 25.6 12 12 A A H <5S+ 0 0 4 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.1 0.799 122.2 36.5 -68.8 -30.7 16.4 6.5 28.4 13 13 A N H ><5S- 0 0 2 -4,-2.0 3,-1.0 -5,-0.1 -1,-0.2 0.587 100.5-134.3 -96.7 -14.5 18.0 3.2 29.1 14 14 A H T 3<5 - 0 0 110 -4,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.918 65.7 -54.3 64.6 47.4 18.2 1.8 25.4 15 15 A G T 3 - 0 0 49 0, 0.0 3,-1.0 0, 0.0 4,-0.4 -0.330 24.1-124.9 -56.0 146.8 13.0 -4.2 31.5 19 19 A T G >> S+ 0 0 25 1,-0.3 3,-1.4 2,-0.2 4,-0.7 0.821 109.6 68.4 -64.9 -31.6 10.4 -1.8 33.2 20 20 A R G >4 S+ 0 0 180 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.804 89.8 63.5 -52.1 -36.3 9.3 -4.7 35.4 21 21 A H G <4 S+ 0 0 45 -3,-1.0 -1,-0.3 1,-0.2 3,-0.2 0.757 103.7 47.0 -64.9 -25.4 12.7 -4.5 37.1 22 22 A Y G X4 S+ 0 0 7 -3,-1.4 3,-0.6 -4,-0.4 -1,-0.2 0.590 95.1 73.6 -92.9 -15.0 12.0 -1.1 38.4 23 23 A M T << S+ 0 0 67 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.1 0.618 103.8 35.9 -83.4 -11.3 8.5 -1.7 39.7 24 24 A D T 3 S+ 0 0 65 -4,-0.5 87,-2.2 -3,-0.2 2,-0.4 -0.475 86.8 130.3-135.4 68.6 9.5 -3.7 42.8 25 25 A Y B <> -A 110 0A 0 -3,-0.6 4,-1.6 4,-0.4 85,-0.2 -0.968 65.5 -42.6-124.0 136.7 12.7 -2.0 43.9 26 26 A G T 4 S- 0 0 1 83,-2.7 86,-0.3 -2,-0.4 92,-0.1 -0.102 98.3 -44.2 53.5-140.6 13.7 -0.8 47.4 27 27 A b T 4 S+ 0 0 4 9,-0.1 -1,-0.2 90,-0.1 91,-0.1 0.722 134.1 30.5 -96.0 -27.4 11.3 1.1 49.5 28 28 A Y T >4 S+ 0 0 18 -3,-0.2 3,-1.6 5,-0.1 2,-0.4 0.661 86.3 99.1-111.7 -22.6 9.7 3.5 47.1 29 29 A c T 3< S+ 0 0 10 -4,-1.6 -4,-0.4 1,-0.3 -6,-0.1 -0.593 84.7 41.9 -75.2 126.6 9.7 1.9 43.6 30 30 A G T 3 S- 0 0 40 -2,-0.4 -1,-0.3 -6,-0.2 -7,-0.1 0.335 125.1 -94.1 110.8 2.3 6.2 0.6 43.1 31 31 A W S < S+ 0 0 72 -3,-1.6 2,-1.0 1,-0.2 -2,-0.1 0.359 82.5 134.4 70.7 6.5 4.8 3.8 44.7 32 32 A G - 0 0 46 -3,-0.1 2,-0.4 -4,-0.1 -1,-0.2 -0.741 52.4-138.7 -86.3 106.3 4.4 2.6 48.3 33 33 A G + 0 0 59 -2,-1.0 2,-0.3 -3,-0.1 -5,-0.1 -0.503 41.7 148.0 -67.1 118.9 5.8 5.5 50.4 34 34 A S - 0 0 29 -2,-0.4 85,-0.2 1,-0.1 -7,-0.1 -0.955 47.1 -49.4-162.4 136.6 7.9 4.0 53.2 35 35 A G S S- 0 0 29 83,-0.3 83,-0.1 -2,-0.3 -1,-0.1 -0.001 96.6 -13.3 46.0-133.5 11.0 4.6 55.5 36 36 A T - 0 0 104 81,-0.3 2,-0.5 83,-0.3 -9,-0.1 -0.819 68.0-110.1-102.0 137.3 14.3 5.6 53.9 37 37 A P - 0 0 29 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.587 30.8-158.1 -58.4 114.0 15.2 5.4 50.2 38 38 A V + 0 0 44 -2,-0.5 2,-0.2 71,-0.1 -12,-0.1 0.716 63.4 16.1 -72.2 -18.9 17.7 2.6 50.3 39 39 A D S > S- 0 0 15 1,-0.1 4,-1.4 70,-0.1 5,-0.1 -0.799 80.7 -98.4-148.1 174.3 19.5 3.4 47.1 40 40 A E H > S+ 0 0 102 -2,-0.2 4,-1.4 2,-0.2 3,-0.3 0.944 125.7 47.7 -67.5 -46.4 20.1 6.0 44.4 41 41 A L H > S+ 0 0 0 63,-0.5 4,-1.0 1,-0.2 -1,-0.2 0.777 107.8 56.3 -63.8 -30.7 17.5 4.3 42.2 42 42 A D H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.843 103.6 52.8 -74.4 -31.2 15.1 4.3 45.1 43 43 A R H X S+ 0 0 121 -4,-1.4 4,-2.5 -3,-0.3 -2,-0.2 0.832 103.0 59.0 -70.0 -32.2 15.4 8.1 45.6 44 44 A d H X S+ 0 0 4 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.840 107.4 47.6 -58.7 -36.2 14.5 8.4 41.9 45 45 A c H X S+ 0 0 7 -4,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.763 110.5 49.6 -79.8 -29.0 11.3 6.6 42.7 46 46 A K H X S+ 0 0 64 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.943 111.9 48.0 -71.7 -50.3 10.5 8.7 45.7 47 47 A I H X S+ 0 0 112 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.856 113.0 50.1 -55.0 -39.4 11.0 12.0 43.8 48 48 A H H X S+ 0 0 6 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.865 110.1 48.7 -67.3 -42.6 8.8 10.5 41.0 49 49 A D H < S+ 0 0 36 -4,-1.7 4,-0.3 1,-0.2 -2,-0.2 0.834 114.4 47.2 -65.9 -35.6 6.0 9.6 43.5 50 50 A D H X S+ 0 0 68 -4,-2.3 4,-1.4 2,-0.2 3,-0.3 0.774 108.8 54.8 -72.9 -31.8 6.3 13.1 45.0 51 51 A e H X S+ 0 0 27 -4,-1.6 4,-1.8 1,-0.2 3,-0.3 0.941 105.0 52.3 -67.8 -47.3 6.3 14.7 41.5 52 52 A Y H X S+ 0 0 16 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.627 105.9 58.0 -60.0 -20.0 3.1 12.9 40.6 53 53 A S H > S+ 0 0 49 -3,-0.3 4,-1.3 -4,-0.3 -1,-0.2 0.874 104.4 47.0 -82.0 -39.4 1.7 14.4 43.9 54 54 A D H X S+ 0 0 63 -4,-1.4 4,-0.9 -3,-0.3 -2,-0.2 0.851 110.7 56.5 -63.4 -38.5 2.3 18.1 43.0 55 55 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.3 1,-0.2 3,-1.3 0.949 106.2 47.5 -56.9 -54.6 0.7 17.2 39.7 56 56 A E H 3<5S+ 0 0 122 -4,-1.5 3,-0.4 1,-0.3 -1,-0.2 0.738 108.7 55.2 -62.8 -26.0 -2.5 16.0 41.4 57 57 A K H 3<5S+ 0 0 156 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.643 106.4 51.7 -77.0 -20.2 -2.6 19.2 43.5 58 59 A K T <<5S- 0 0 128 -3,-1.3 -1,-0.2 -4,-0.9 -2,-0.2 0.427 127.8 -99.2 -93.7 -2.2 -2.5 21.3 40.3 59 60 A G T 5S+ 0 0 66 -4,-0.4 2,-0.7 -3,-0.4 -3,-0.2 0.417 82.1 134.7 98.9 2.0 -5.4 19.3 38.9 60 61 A f < - 0 0 4 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.729 45.6-152.6 -86.6 112.9 -3.2 17.1 36.7 61 67 A S > - 0 0 46 -2,-0.7 4,-0.9 1,-0.2 28,-0.1 -0.810 2.4-160.2 -84.5 117.2 -4.2 13.4 36.9 62 68 A P T 4 S+ 0 0 7 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.837 92.1 50.8 -63.3 -33.9 -0.9 11.5 36.2 63 69 A K T 4 S+ 0 0 133 1,-0.2 -61,-0.2 -62,-0.1 -2,-0.1 0.964 115.5 39.0 -67.0 -58.0 -2.9 8.4 35.3 64 70 A M T 4 S+ 0 0 170 -63,-0.1 2,-1.0 1,-0.1 -1,-0.2 0.443 90.9 104.6 -79.2 1.6 -5.3 10.2 32.9 65 71 A S < - 0 0 10 -4,-0.9 2,-0.9 -3,-0.1 -1,-0.1 -0.699 45.4-176.4 -87.8 101.6 -2.6 12.5 31.3 66 72 A A + 0 0 61 -2,-1.0 20,-0.1 -64,-0.0 2,-0.1 -0.843 21.7 178.6 -93.9 104.9 -1.7 11.2 27.8 67 73 A Y - 0 0 14 -2,-0.9 2,-0.5 19,-0.1 20,-0.1 -0.191 27.5-101.2 -97.5-169.8 1.1 13.6 26.8 68 74 A D + 0 0 70 -2,-0.1 11,-2.4 18,-0.0 12,-0.6 -0.971 44.0 151.7-125.2 129.1 3.4 14.1 23.8 69 75 A Y E -B 78 0B 52 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.861 30.7-139.6-141.8 173.9 7.0 13.1 23.7 70 76 A Y E -B 77 0B 26 7,-2.0 7,-1.5 -2,-0.3 2,-1.0 -0.982 13.4-141.0-143.6 130.4 9.7 12.1 21.2 71 77 A a E +B 76 0B 63 -2,-0.4 2,-0.1 5,-0.2 -2,-0.0 -0.807 30.5 179.6 -94.9 99.8 12.3 9.4 21.8 72 78 A G E > -B 75 0B 10 3,-1.4 3,-0.6 -2,-1.0 128,-0.0 -0.181 45.7 -92.0 -83.4-173.2 15.5 10.6 20.4 73 79 A E T 3 S+ 0 0 32 1,-0.2 -1,-0.0 -2,-0.1 -2,-0.0 0.637 125.2 49.4 -79.6 -12.9 18.9 8.9 20.3 74 80 A N T 3 S- 0 0 126 1,-0.5 -1,-0.2 0, 0.0 -3,-0.0 0.380 126.3 -84.2-103.6 0.6 20.0 10.5 23.6 75 81 A G E < -B 72 0B 5 -3,-0.6 -3,-1.4 2,-0.0 -1,-0.5 -0.669 68.3 -28.3 121.2-177.9 16.8 9.6 25.4 76 82 A P E -B 71 0B 7 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.263 45.9-176.1 -77.2 154.7 13.3 11.1 25.8 77 83 A Y E -B 70 0B 50 -7,-1.5 -7,-2.0 -2,-0.0 2,-0.2 -0.992 23.7-118.1-150.3 144.5 12.0 14.7 25.6 78 84 A g E -B 69 0B 17 -2,-0.3 -9,-0.2 -9,-0.2 9,-0.1 -0.555 15.3-170.8 -86.5 142.9 8.7 16.4 26.1 79 85 A R + 0 0 84 -11,-2.4 2,-0.2 -2,-0.2 -10,-0.2 0.429 51.5 105.1-111.6 -3.9 7.0 18.4 23.4 80 86 A N + 0 0 17 -12,-0.6 -2,-0.1 1,-0.2 -13,-0.0 -0.535 24.4 151.4 -80.9 144.1 4.1 20.1 25.3 81 87 A I S S+ 0 0 134 -2,-0.2 -1,-0.2 6,-0.0 6,-0.1 0.488 77.4 32.8-131.1 -54.2 4.4 23.8 26.0 82 88 A K S S+ 0 0 192 1,-0.2 2,-2.0 5,-0.0 3,-0.1 0.916 101.9 71.7 -76.6 -53.2 0.9 25.1 26.1 83 89 A K S >> S- 0 0 152 1,-0.2 4,-1.7 2,-0.1 3,-0.6 -0.506 73.0-171.7 -69.7 82.4 -1.1 22.1 27.5 84 90 A K H 3> S+ 0 0 171 -2,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.712 72.7 49.7 -56.5 -37.2 0.5 22.7 31.0 85 91 A f H 3> S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.835 110.4 52.5 -72.4 -32.6 -0.7 19.6 32.9 86 92 A L H <> S+ 0 0 38 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.893 111.6 46.4 -68.4 -38.9 0.5 17.3 30.1 87 93 A R H X S+ 0 0 81 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.887 111.2 51.9 -71.3 -38.1 3.9 18.9 30.2 88 94 A F H X S+ 0 0 49 -4,-1.9 4,-1.4 1,-0.2 3,-0.4 0.973 113.5 42.9 -61.6 -54.6 4.2 18.8 34.0 89 95 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.824 111.1 56.8 -61.6 -31.9 3.4 15.0 34.1 90 96 A g H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.895 105.3 51.9 -63.8 -38.3 5.7 14.4 31.2 91 97 A D H X S+ 0 0 53 -4,-1.9 4,-2.0 -3,-0.4 -2,-0.2 0.821 105.9 53.9 -68.4 -32.3 8.5 16.0 33.2 92 98 A e H X S+ 0 0 3 -4,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.955 115.7 39.5 -65.8 -47.6 7.9 13.7 36.1 93 99 A D H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.803 115.8 50.0 -70.6 -35.6 8.2 10.7 33.9 94 100 A V H X S+ 0 0 17 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.916 112.1 46.9 -70.9 -44.6 11.1 11.9 31.7 95 101 A E H X S+ 0 0 141 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.836 114.2 48.1 -69.6 -28.8 13.3 12.9 34.7 96 102 A A H X S+ 0 0 6 -4,-1.3 4,-2.7 -5,-0.2 -1,-0.2 0.874 108.1 55.6 -75.2 -38.9 12.6 9.6 36.4 97 103 A A H X S+ 0 0 1 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.923 112.1 41.7 -58.9 -46.8 13.3 7.7 33.2 98 104 A F H X S+ 0 0 51 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.865 112.6 55.1 -68.7 -36.7 16.8 9.3 33.0 99 105 A d H X S+ 0 0 46 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.958 106.1 51.5 -59.6 -49.7 17.4 8.9 36.7 100 106 A F H < S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.796 112.4 46.8 -56.2 -36.0 16.7 5.1 36.5 101 107 A A H < S+ 0 0 12 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 114.9 42.6 -77.2 -40.9 19.2 4.7 33.7 102 108 A K H < S+ 0 0 167 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.703 101.1 89.0 -80.4 -20.8 22.0 6.7 35.2 103 109 A A S < S- 0 0 17 -4,-2.0 2,-0.2 -5,-0.2 -64,-0.0 -0.558 84.6-111.8 -79.8 138.1 21.5 5.1 38.6 104 110 A P - 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