==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-12 4HYQ . COMPND 2 MOLECULE: PHOSPHOLIPASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ALBIDOFLAVUS; . AUTHOR K.MURAYAMA,D.SUGIMORI . 236 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.4 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 1 1 1 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 65 0, 0.0 45,-1.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 117.6 25.9 29.1 6.5 2 2 A A + 0 0 90 43,-0.2 72,-0.0 44,-0.1 45,-0.0 -0.439 360.0 17.2 -69.4 140.1 24.6 26.1 4.6 3 3 A G S S- 0 0 20 -2,-0.1 43,-1.5 70,-0.1 44,-0.6 0.080 96.4 -57.7 84.7 163.1 21.0 25.3 5.1 4 4 A G E -ab 47 73A 1 68,-2.0 70,-2.6 42,-0.2 71,-2.0 -0.436 38.6-141.3 -83.6 153.5 18.1 27.3 6.6 5 5 A Y E -ab 48 75A 0 42,-2.5 44,-2.4 69,-0.2 2,-0.5 -0.961 15.1-170.2-113.3 126.6 17.9 28.8 10.0 6 6 A V E -ab 49 76A 1 69,-2.5 71,-1.8 -2,-0.5 2,-0.7 -0.986 6.9-157.9-119.4 124.3 14.6 28.6 11.8 7 7 A A E +ab 50 77A 0 42,-2.6 44,-2.2 -2,-0.5 45,-0.8 -0.901 18.9 178.0-107.4 111.6 14.2 30.6 15.1 8 8 A L E + b 0 78A 0 69,-2.8 71,-0.6 -2,-0.7 2,-0.3 -0.614 23.6 57.0-106.4 164.5 11.4 29.3 17.3 9 9 A G E - b 0 79A 0 69,-0.2 44,-2.7 -2,-0.2 71,-0.2 -0.838 66.9 -46.4 130.3-162.9 10.2 30.3 20.7 10 10 A D S >> S- 0 0 1 69,-1.5 4,-2.3 -2,-0.3 3,-1.6 -0.088 76.1 -56.0-103.4-158.7 8.7 32.9 23.0 11 11 A S H 3>>S+ 0 0 5 42,-0.3 4,-1.8 1,-0.3 5,-1.6 0.721 126.7 62.6 -57.9 -27.8 9.4 36.5 24.0 12 12 A Y H 345S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.2 68,-0.1 0.720 114.1 35.4 -73.8 -19.1 13.0 35.8 24.9 13 13 A S H <45S+ 0 0 0 -3,-1.6 -2,-0.2 66,-0.2 -1,-0.2 0.720 113.6 55.9-100.3 -30.6 13.7 34.8 21.3 14 14 A S H <5S- 0 0 0 -4,-2.3 17,-1.6 16,-0.1 20,-0.3 0.857 114.6-115.3 -70.4 -30.8 11.3 37.3 19.6 15 15 A G T ><5 + 0 0 0 -4,-1.8 3,-2.8 -5,-0.2 4,-0.4 0.635 45.5 174.7 108.9 16.5 13.2 40.0 21.4 16 16 A V T 3 - 0 0 100 8,-3.2 3,-2.1 1,-0.2 8,-0.4 -0.698 17.5-144.4 -80.2 124.2 8.6 44.9 13.5 23 23 A S G > S+ 0 0 117 -2,-0.6 3,-1.9 1,-0.3 -1,-0.2 0.829 95.5 67.7 -56.9 -30.9 5.0 46.0 13.1 24 24 A G G 3 S+ 0 0 70 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.657 93.0 59.4 -65.1 -15.4 4.3 43.1 10.8 25 25 A S G X S- 0 0 12 -3,-2.1 3,-2.1 1,-0.2 -1,-0.3 0.481 87.7-169.3 -90.8 -2.8 4.8 40.7 13.7 26 26 A G G X - 0 0 43 -3,-1.9 3,-1.7 -4,-0.3 -1,-0.2 -0.205 66.6 -5.8 53.5-137.2 2.0 42.2 15.7 27 27 A D G 3 S+ 0 0 137 1,-0.3 -1,-0.3 2,-0.1 27,-0.1 0.582 123.4 77.2 -66.6 -10.8 1.7 41.1 19.3 28 28 A a G < S- 0 0 20 -3,-2.1 26,-1.7 25,-0.2 -1,-0.3 0.788 85.3-157.6 -68.7 -25.5 4.5 38.6 18.6 29 29 A R < + 0 0 71 -3,-1.7 2,-0.3 -4,-0.2 -2,-0.1 0.918 18.8 175.2 46.0 64.1 6.9 41.4 18.8 30 30 A R - 0 0 59 -8,-0.4 -8,-3.2 -4,-0.1 -5,-0.2 -0.721 7.8-171.5 -90.5 148.6 9.9 40.1 16.8 31 31 A T > - 0 0 4 -17,-1.6 3,-1.8 -2,-0.3 6,-0.4 -0.985 37.4-124.2-143.4 150.1 12.7 42.6 16.3 32 32 A P T 3 S+ 0 0 80 0, 0.0 9,-0.1 0, 0.0 -12,-0.1 0.581 111.2 66.5 -68.9 -7.2 16.0 42.8 14.3 33 33 A K T 3 S+ 0 0 92 -14,-0.4 2,-0.1 -13,-0.2 -18,-0.1 0.480 79.6 102.1 -90.0 -4.0 17.7 43.4 17.6 34 34 A A S X> S- 0 0 0 -3,-1.8 4,-2.2 -20,-0.3 3,-0.6 -0.492 88.3-108.8 -77.9 151.4 16.8 39.9 18.8 35 35 A Y H 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.810 114.9 56.0 -53.5 -35.8 19.6 37.3 18.8 36 36 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.935 111.7 43.3 -64.7 -40.3 18.2 35.2 15.8 37 37 A A H <> S+ 0 0 16 -3,-0.6 4,-2.2 -6,-0.4 -2,-0.2 0.893 114.2 50.7 -69.4 -39.6 18.1 38.3 13.6 38 38 A L H X S+ 0 0 48 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.925 113.0 46.6 -63.4 -43.5 21.5 39.4 14.7 39 39 A W H X S+ 0 0 17 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.925 111.8 49.8 -65.4 -44.1 22.9 35.9 14.0 40 40 A A H X S+ 0 0 11 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.882 109.1 52.5 -62.7 -38.8 21.3 35.6 10.6 41 41 A A H < S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.880 116.0 40.2 -64.7 -37.5 22.6 39.1 9.6 42 42 A A H < S+ 0 0 80 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.770 123.7 36.8 -83.5 -25.8 26.1 38.1 10.5 43 43 A N H < S- 0 0 62 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.497 87.2-141.8-109.5 -3.9 26.1 34.5 9.2 44 44 A S < - 0 0 92 -4,-1.7 -3,-0.1 -5,-0.2 -4,-0.1 0.889 21.2-161.7 44.7 62.1 24.0 34.6 6.0 45 45 A P - 0 0 19 0, 0.0 -41,-0.2 0, 0.0 -43,-0.2 -0.291 33.9-105.5 -67.6 159.3 22.1 31.3 6.2 46 46 A A S S- 0 0 80 -43,-1.5 2,-0.3 -45,-1.1 -42,-0.2 0.830 103.1 -3.4 -53.4 -35.1 20.5 29.9 3.0 47 47 A S E -a 4 0A 52 -44,-0.6 -42,-2.5 2,-0.0 2,-0.4 -0.971 65.8-150.7-153.2 159.1 17.1 31.1 4.5 48 48 A F E -a 5 0A 70 -2,-0.3 2,-0.5 -44,-0.2 -42,-0.2 -0.954 10.7-179.5-141.6 116.6 15.9 32.6 7.7 49 49 A D E -a 6 0A 62 -44,-2.4 -42,-2.6 -2,-0.4 2,-0.8 -0.964 7.3-168.1-120.0 113.3 12.5 32.1 9.2 50 50 A F E +a 7 0A 32 -2,-0.5 -42,-0.1 -44,-0.2 -20,-0.1 -0.879 24.0 151.7-103.3 103.0 11.9 34.0 12.4 51 51 A V + 0 0 33 -44,-2.2 -42,-0.2 -2,-0.8 -43,-0.2 0.317 20.8 131.0-118.9 9.2 8.7 32.7 14.0 52 52 A A - 0 0 0 -45,-0.8 2,-0.4 -44,-0.2 -42,-0.2 -0.259 39.1-160.7 -58.7 150.0 9.2 33.2 17.7 53 53 A a > - 0 0 32 -44,-2.7 3,-2.2 -24,-0.0 -42,-0.3 -0.986 22.3-111.0-144.7 129.3 6.2 34.9 19.4 54 54 A S T 3 S+ 0 0 42 -26,-1.7 -25,-0.1 -2,-0.4 -24,-0.1 -0.304 106.5 18.9 -54.8 133.1 5.8 36.8 22.7 55 55 A G T 3 S+ 0 0 40 1,-0.2 -1,-0.3 -27,-0.1 -45,-0.1 0.410 87.9 158.5 86.3 -1.6 3.7 34.8 25.0 56 56 A A < - 0 0 1 -3,-2.2 27,-0.4 -47,-0.2 25,-0.4 -0.234 21.7-165.0 -60.7 140.5 4.2 31.5 23.2 57 57 A V >> - 0 0 38 26,-0.1 4,-1.5 23,-0.1 3,-0.9 -0.702 40.7 -92.1-115.5 171.8 3.6 28.2 25.1 58 58 A T H 3> S+ 0 0 7 1,-0.3 4,-1.9 -2,-0.2 3,-0.3 0.881 125.6 54.4 -55.4 -40.2 4.7 24.7 23.9 59 59 A S H 3> S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.826 104.9 55.7 -65.4 -27.4 1.4 24.0 22.1 60 60 A D H <>>S+ 0 0 58 -3,-0.9 4,-3.2 2,-0.2 5,-0.8 0.861 104.1 52.6 -70.4 -36.0 1.9 27.3 20.2 61 61 A V H X>S+ 0 0 0 -4,-1.5 4,-1.5 -3,-0.3 5,-0.7 0.956 113.6 44.2 -63.5 -45.4 5.3 26.2 18.9 62 62 A L H <5S+ 0 0 55 -4,-1.9 4,-0.3 3,-0.2 -2,-0.2 0.889 123.0 36.6 -64.0 -41.5 3.7 22.9 17.7 63 63 A N H <5S+ 0 0 132 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.877 132.8 17.5 -80.7 -42.1 0.7 24.6 16.2 64 64 A K H <5S+ 0 0 162 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.609 122.5 45.9-109.5 -15.2 2.1 27.9 14.7 65 65 A Q T < < + 0 0 18 -5,-0.7 3,-1.8 -4,-0.3 -1,-0.1 0.674 67.6 91.6 -76.2 -18.8 6.7 24.3 12.8 67 67 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 0.826 82.2 51.1 -45.7 -48.5 5.9 25.2 9.3 68 68 A P T 3 S+ 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.607 86.1 103.2 -70.5 -10.1 9.4 26.4 8.1 69 69 A L < + 0 0 0 -3,-1.8 2,-0.3 -4,-0.2 63,-0.1 -0.554 46.5 137.4 -75.4 133.7 11.2 23.3 9.4 70 70 A N > - 0 0 66 -2,-0.3 3,-1.7 -66,-0.1 64,-0.2 -0.910 68.3 -72.6-158.6-175.1 12.2 20.9 6.7 71 71 A S T 3 S+ 0 0 99 -2,-0.3 63,-0.1 1,-0.3 61,-0.1 0.671 125.6 55.9 -64.2 -16.9 14.9 18.7 5.4 72 72 A S T 3 S+ 0 0 69 -69,-0.1 -68,-2.0 61,-0.0 2,-0.3 0.486 79.0 112.7 -94.3 -1.7 17.0 21.7 4.3 73 73 A T E < +b 4 0A 3 -3,-1.7 61,-0.2 -70,-0.2 -68,-0.2 -0.546 35.8 172.9 -71.6 129.3 17.0 23.3 7.8 74 74 A S E + 0 0 42 -70,-2.6 62,-2.6 -2,-0.3 2,-0.4 0.590 63.1 34.2-111.2 -16.8 20.5 23.2 9.2 75 75 A L E +bc 5 136A 5 -71,-2.0 -69,-2.5 60,-0.3 2,-0.4 -0.997 55.8 178.5-144.3 135.3 20.0 25.3 12.4 76 76 A V E -bc 6 137A 0 60,-2.3 62,-3.1 -2,-0.4 2,-0.3 -1.000 6.7-168.7-134.3 133.2 17.1 25.7 14.9 77 77 A S E -bc 7 138A 0 -71,-1.8 -69,-2.8 -2,-0.4 2,-0.3 -0.901 12.4-179.8-118.4 153.4 17.1 27.9 18.0 78 78 A L E -bc 8 139A 1 60,-1.6 62,-2.4 -2,-0.3 2,-0.4 -0.970 24.2-179.8-157.4 135.9 14.5 27.7 20.7 79 79 A T E +b 9 0A 0 -71,-0.6 -69,-1.5 -2,-0.3 2,-0.3 -0.987 35.6 136.9-129.7 124.5 13.4 29.3 24.0 80 80 A I + 0 0 1 -2,-0.4 -23,-0.1 60,-0.3 -2,-0.0 -0.983 30.4 61.6-165.2 152.7 10.2 27.8 25.4 81 81 A G S > S+ 0 0 0 -25,-0.4 4,-1.8 -2,-0.3 5,-0.1 -0.055 71.5 96.6 120.8 -33.9 8.5 26.6 28.6 82 82 A G T 4>S+ 0 0 8 1,-0.2 5,-2.0 2,-0.2 6,-0.2 0.907 90.6 43.7 -55.5 -44.8 8.5 29.7 30.8 83 83 A N T >45S+ 0 0 43 -27,-0.4 3,-1.3 1,-0.2 -1,-0.2 0.796 105.8 60.8 -74.4 -27.2 5.0 30.6 29.9 84 84 A D T 345S+ 0 0 19 1,-0.3 -1,-0.2 -28,-0.2 -2,-0.2 0.918 106.6 48.6 -62.4 -38.6 3.7 27.0 30.2 85 85 A A T 3<5S- 0 0 5 -4,-1.8 -1,-0.3 1,-0.0 -2,-0.2 0.382 117.2-119.3 -81.7 4.1 4.8 27.2 33.8 86 86 A G T <>5 + 0 0 19 -3,-1.3 4,-2.3 -5,-0.1 3,-0.3 0.772 56.0 155.7 66.3 33.4 3.0 30.5 34.2 87 87 A F H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 110.1 44.8 -67.6 -41.3 4.3 35.9 33.9 89 89 A D H > S+ 0 0 81 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.874 111.6 54.4 -67.2 -37.7 1.5 35.2 36.4 90 90 A V H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.945 109.1 46.9 -60.7 -46.9 4.1 34.3 39.0 91 91 A M H X S+ 0 0 16 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.893 110.4 52.3 -64.7 -37.8 5.8 37.7 38.5 92 92 A T H X S+ 0 0 72 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.934 111.8 47.7 -62.4 -43.4 2.5 39.6 38.6 93 93 A T H X S+ 0 0 13 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.925 112.2 48.4 -62.6 -44.7 1.7 37.8 41.9 94 94 A b H < S+ 0 0 2 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.837 115.5 44.3 -67.1 -33.0 5.1 38.6 43.4 95 95 A V H < S+ 0 0 35 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.923 124.0 31.6 -77.4 -43.6 5.0 42.2 42.4 96 96 A L H < S+ 0 0 118 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.555 116.9 48.8 -94.5 -10.4 1.4 43.0 43.5 97 97 A Q S < S- 0 0 107 -4,-2.1 2,-0.1 -5,-0.2 -4,-0.0 -0.394 91.9 -68.3-116.6-164.9 0.9 40.7 46.4 98 98 A S > - 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