==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 24-JUL-12 4G9S . COMPND 2 MOLECULE: GOOSE-TYPE LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMO SALAR; . AUTHOR S.LEYSEN,L.VANDERKELEN,S.D.WEEKS,C.W.MICHIELS,S.V.STRELKOV . 298 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 1 0 0 0 0 0 1 1 0 2 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 3 0 0 2 0 1 0 1 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 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 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 H 0 0 115 0, 0.0 126,-0.0 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 50.7 -15.1 70.2 -17.4 2 0 A H - 0 0 171 1,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.262 360.0-121.9 -67.0 147.4 -17.1 72.1 -14.8 3 1 A H + 0 0 97 1,-0.1 -1,-0.1 2,-0.0 121,-0.1 -0.672 34.0 167.2 -84.4 146.8 -18.5 70.4 -11.8 4 2 A H + 0 0 87 -2,-0.3 3,-0.3 1,-0.0 -1,-0.1 -0.250 28.9 125.1-158.6 55.9 -22.2 70.4 -11.3 5 3 A H > + 0 0 25 1,-0.2 3,-1.3 2,-0.1 -2,-0.0 0.288 42.4 106.1 -99.4 10.4 -23.2 67.9 -8.5 6 4 A H T 3 S+ 0 0 131 1,-0.3 -1,-0.2 57,-0.1 56,-0.0 0.661 75.7 52.5 -71.2 -16.8 -25.1 70.5 -6.4 7 5 A H T 3 S+ 0 0 133 -3,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.576 82.3 119.0 -90.3 -10.6 -28.6 69.2 -7.3 8 6 A M < - 0 0 31 -3,-1.3 2,-0.4 130,-0.1 56,-0.1 -0.332 40.6-174.6 -62.6 135.9 -27.8 65.6 -6.4 9 7 A D > - 0 0 49 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.953 18.4-158.4-139.1 108.2 -29.9 64.1 -3.6 10 8 A I G > S+ 0 0 1 -2,-0.4 3,-1.3 1,-0.3 170,-0.1 0.761 89.5 67.8 -59.5 -26.4 -29.1 60.7 -2.2 11 9 A T G 3 S+ 0 0 75 1,-0.3 -1,-0.3 168,-0.1 169,-0.0 0.658 96.7 54.5 -70.3 -15.6 -32.6 60.2 -0.8 12 10 A K G < S+ 0 0 127 -3,-1.9 2,-0.4 2,-0.1 -1,-0.3 0.426 84.4 105.5 -96.2 -1.8 -34.1 60.1 -4.3 13 11 A V < - 0 0 8 -3,-1.3 2,-0.2 -4,-0.3 127,-0.1 -0.662 67.6-132.6 -86.2 131.1 -31.8 57.3 -5.5 14 12 A D - 0 0 134 -2,-0.4 2,-0.3 2,-0.0 162,-0.1 -0.498 29.1-177.7 -77.9 151.3 -33.4 53.9 -5.9 15 13 A T - 0 0 22 -2,-0.2 18,-0.1 161,-0.1 158,-0.1 -0.991 36.5-166.6-154.5 142.8 -31.6 50.9 -4.4 16 14 A S - 0 0 77 -2,-0.3 17,-0.2 1,-0.3 158,-0.1 0.213 47.3-146.1-105.7 7.0 -31.9 47.1 -4.0 17 15 A G - 0 0 2 156,-0.5 157,-0.4 15,-0.2 -1,-0.3 -0.217 45.2 -0.9 69.1-151.7 -29.2 47.0 -1.3 18 16 A A B -A 32 0A 8 14,-1.7 14,-1.1 155,-0.2 17,-0.2 -0.494 62.2-127.6 -84.0 143.8 -26.6 44.3 -0.8 19 17 A S > - 0 0 32 -2,-0.2 4,-2.4 149,-0.2 5,-0.2 -0.269 34.3-101.9 -72.6 169.3 -26.2 41.0 -2.7 20 18 A E H > S+ 0 0 142 1,-0.2 4,-1.4 2,-0.2 8,-0.1 0.902 123.0 56.6 -60.0 -41.0 -26.1 37.7 -0.9 21 19 A I H 4 S+ 0 0 132 147,-0.2 4,-0.3 1,-0.2 3,-0.3 0.931 110.3 43.0 -56.6 -47.9 -22.3 37.7 -1.3 22 20 A T H >4 S+ 0 0 9 146,-0.3 3,-2.0 1,-0.2 4,-0.3 0.917 109.0 56.7 -67.6 -43.1 -21.9 41.0 0.5 23 21 A A H ><>S+ 0 0 5 -4,-2.4 5,-2.0 1,-0.3 3,-1.3 0.801 95.2 68.4 -59.0 -28.7 -24.4 40.2 3.3 24 22 A R G ><5S+ 0 0 147 -4,-1.4 3,-1.6 -3,-0.3 -1,-0.3 0.670 77.9 80.1 -69.0 -14.4 -22.3 37.1 4.1 25 23 A Q G < 5S+ 0 0 93 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.809 108.0 29.1 -64.6 -26.9 -19.5 39.3 5.4 26 24 A D G < 5S- 0 0 45 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.084 115.8-114.8-113.1 21.2 -21.4 39.7 8.6 27 25 A K T < 5 + 0 0 168 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.874 55.6 176.1 46.6 46.3 -23.1 36.3 8.2 28 26 A L < - 0 0 28 -5,-2.0 -1,-0.2 1,-0.1 7,-0.1 -0.491 38.5-162.1 -81.6 147.8 -26.5 38.0 7.8 29 27 A T + 0 0 138 -2,-0.2 -1,-0.1 2,-0.1 6,-0.1 0.556 69.4 99.2 -95.4 -16.6 -29.7 36.2 7.1 30 28 A L - 0 0 60 -7,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.273 63.5-148.7 -63.6 156.8 -31.1 39.6 6.0 31 29 A Q >> - 0 0 151 4,-0.0 4,-1.0 -8,-0.0 3,-0.9 -0.896 42.4 -21.4-129.0 154.9 -31.3 40.5 2.3 32 30 A G H 3> S+A 18 0A 18 -14,-1.1 4,-2.4 -2,-0.3 -14,-1.7 -0.129 125.2 1.6 60.7-133.7 -31.0 43.5 0.1 33 31 A V H 3> S+ 0 0 46 -16,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.901 133.2 55.6 -60.3 -41.9 -31.7 46.9 1.6 34 32 A D H <> S+ 0 0 106 -3,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.897 108.7 49.0 -55.9 -42.3 -32.3 45.4 5.1 35 33 A A H X S+ 0 0 0 -4,-1.0 4,-2.7 2,-0.2 5,-0.2 0.935 109.1 51.2 -65.0 -47.2 -28.9 43.8 4.8 36 34 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 109.4 51.5 -54.3 -44.1 -27.2 47.1 3.8 37 35 A H H X S+ 0 0 49 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.879 111.2 46.9 -63.1 -36.8 -28.8 48.8 6.7 38 36 A K H X S+ 0 0 64 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.882 110.0 52.2 -72.6 -38.7 -27.5 46.2 9.1 39 37 A L H X S+ 0 0 0 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.919 112.6 47.0 -59.9 -43.7 -24.0 46.3 7.6 40 38 A A H >< S+ 0 0 0 -4,-2.4 3,-1.1 -5,-0.2 4,-0.4 0.926 109.5 52.9 -62.4 -46.6 -24.1 50.1 8.1 41 39 A E H >< S+ 0 0 87 -4,-2.3 3,-1.6 1,-0.3 4,-0.5 0.901 103.0 57.9 -58.5 -40.4 -25.4 49.7 11.7 42 40 A H H 3< S+ 0 0 85 -4,-2.4 -1,-0.3 1,-0.3 4,-0.2 0.783 110.6 44.7 -60.3 -25.5 -22.6 47.4 12.5 43 41 A D T S+ 0 0 27 -3,-1.6 4,-2.7 -4,-0.4 5,-0.2 0.886 78.1 50.3 -63.5 -48.3 -22.0 53.0 13.3 45 43 A V H > S+ 0 0 121 -4,-0.5 4,-0.8 1,-0.2 -1,-0.2 0.945 116.9 42.8 -59.5 -43.6 -20.1 53.3 16.6 46 44 A R H >> S+ 0 0 74 -4,-0.2 3,-1.0 1,-0.2 4,-0.7 0.932 112.6 53.4 -65.0 -44.6 -16.8 53.5 14.7 47 45 A M H >X S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 4,-0.6 0.886 99.9 62.4 -57.7 -39.1 -18.3 55.8 12.1 48 46 A N H >< S+ 0 0 74 -4,-2.7 3,-0.6 1,-0.3 4,-0.4 0.798 93.6 62.8 -61.8 -26.7 -19.4 58.2 14.8 49 47 A K H << S+ 0 0 141 -3,-1.0 -1,-0.3 -4,-0.8 4,-0.2 0.845 113.2 36.0 -60.3 -33.4 -15.8 58.7 15.8 50 48 A Y H S+ 0 0 142 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.934 115.1 43.4 -60.8 -44.8 -17.3 65.4 12.7 53 51 A L H > S+ 0 0 39 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.913 113.4 50.9 -65.3 -44.0 -14.6 65.0 10.1 54 52 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.907 110.8 49.8 -60.6 -42.7 -17.0 63.4 7.6 55 53 A T H X S+ 0 0 36 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.929 111.3 48.0 -62.3 -46.2 -19.4 66.3 8.0 56 54 A R H X S+ 0 0 101 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.914 112.1 49.3 -62.5 -43.6 -16.8 68.9 7.5 57 55 A V H X S+ 0 0 0 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.931 112.0 48.4 -63.1 -43.9 -15.5 67.1 4.4 58 56 A G H >X>S+ 0 0 1 -4,-2.6 5,-2.3 1,-0.2 3,-0.9 0.949 113.1 47.3 -60.4 -47.0 -19.0 66.9 2.9 59 57 A Q H ><5S+ 0 0 141 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.922 110.6 52.0 -60.3 -42.9 -19.7 70.5 3.6 60 58 A K H 3<5S+ 0 0 147 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.641 118.5 38.1 -68.7 -16.6 -16.4 71.6 2.1 61 59 A H H <<5S- 0 0 42 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.334 108.3-116.2-115.2 2.7 -17.1 69.6 -1.0 62 60 A G T <<5S+ 0 0 52 -4,-0.8 2,-0.4 -3,-0.8 -3,-0.2 0.855 74.6 125.7 63.9 36.0 -20.8 70.2 -1.4 63 61 A L S > - 0 0 31 -2,-0.4 3,-1.5 1,-0.2 4,-1.1 -0.363 25.9-141.0 -56.7 122.9 -23.9 64.8 1.5 65 63 A P H 3> S+ 0 0 19 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.797 99.3 67.6 -57.2 -28.2 -21.9 63.5 4.4 66 64 A A H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 116,-0.2 0.828 96.2 53.4 -61.9 -32.3 -24.1 60.5 4.5 67 65 A I H <> S+ 0 0 3 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.908 107.2 51.1 -67.1 -42.7 -22.7 59.4 1.1 68 66 A I H X S+ 0 0 0 -4,-1.1 4,-2.5 1,-0.2 -2,-0.2 0.933 110.5 49.7 -59.1 -44.8 -19.1 59.6 2.5 69 67 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.903 108.6 52.7 -61.3 -42.2 -20.2 57.5 5.4 70 68 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.916 110.5 47.4 -59.5 -43.9 -21.8 54.9 3.1 71 69 A I H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.926 112.3 49.8 -60.9 -47.1 -18.5 54.7 1.1 72 70 A I H X>S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 6,-1.4 0.913 110.6 49.9 -61.2 -43.0 -16.4 54.3 4.3 73 71 A S H X5S+ 0 0 0 -4,-2.6 4,-1.6 4,-0.2 -1,-0.2 0.958 116.7 41.3 -59.7 -49.3 -18.7 51.6 5.6 74 72 A R H <5S+ 0 0 26 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.914 119.1 43.8 -64.8 -44.4 -18.5 49.7 2.4 75 73 A E H <5S- 0 0 32 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.854 138.1 -3.0 -73.6 -38.6 -14.8 50.2 1.7 76 74 A S H <>S- 0 0 1 -4,-2.3 5,-2.3 19,-0.3 3,-0.4 0.333 87.7-110.7-139.6 3.4 -13.2 49.6 5.2 77 75 A R T >< 5S+ 0 0 12 -3,-0.4 3,-1.7 -7,-0.3 -1,-0.3 0.070 115.7 107.5 99.7 -20.7 -11.5 51.1 9.6 80 78 A S T < 5S+ 0 0 79 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.801 79.0 52.8 -61.3 -32.2 -12.1 47.7 11.1 81 79 A A T 3 S-B 86 0B 106 3,-2.2 3,-2.0 -2,-0.2 -3,-0.0 -0.957 92.3 -28.1-120.3 101.4 -4.2 47.0 8.9 84 82 A H T 3 S- 0 0 159 -2,-0.5 25,-0.1 1,-0.3 -1,-0.1 0.873 129.1 -48.4 51.5 39.0 -2.6 50.3 9.8 85 83 A G T 3 S+ 0 0 0 1,-0.2 9,-2.6 -6,-0.2 2,-0.3 0.329 115.5 118.8 91.0 -7.7 -5.0 51.8 7.2 86 84 A W B < -BC 83 93B 74 -3,-2.0 -3,-2.2 7,-0.2 -1,-0.2 -0.737 59.3-128.1-102.1 141.8 -4.2 49.3 4.4 87 85 A G > - 0 0 8 5,-2.5 3,-2.1 -2,-0.3 -5,-0.1 -0.166 48.6 -82.8 -68.9 175.9 -6.3 46.8 2.6 88 86 A D T 3 S+ 0 0 148 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.661 129.2 42.2 -64.3 -19.8 -5.3 43.2 2.4 89 87 A H T 3 S- 0 0 112 3,-0.0 -1,-0.3 124,-0.0 124,-0.0 0.209 110.0-114.9-111.8 14.9 -3.0 43.7 -0.6 90 88 A G S < S+ 0 0 25 -3,-2.1 -2,-0.1 2,-0.1 3,-0.1 0.682 94.2 97.6 61.1 22.4 -1.4 46.9 0.6 91 89 A K + 0 0 57 1,-0.1 9,-2.8 8,-0.1 2,-0.4 0.764 64.6 69.0-106.3 -38.4 -2.9 48.9 -2.3 92 90 A G E - D 0 99B 0 7,-0.2 -5,-2.5 8,-0.1 2,-0.4 -0.738 67.9-165.0 -86.9 132.3 -6.0 50.5 -0.8 93 91 A F E > -CD 86 98B 17 5,-2.6 5,-2.5 -2,-0.4 3,-0.2 -0.952 37.2 -3.2-123.3 133.2 -5.3 53.2 1.8 94 92 A G T > 5S- 0 0 0 -9,-2.6 3,-1.5 -2,-0.4 16,-0.2 -0.004 96.0 -50.7 91.2 170.9 -7.5 54.8 4.4 95 93 A L T 3 5S+ 0 0 0 14,-2.2 -19,-0.3 1,-0.3 -17,-0.3 0.795 141.0 38.9 -49.3 -35.1 -11.1 54.8 5.5 96 94 A M T 3 5S- 0 0 0 -3,-0.2 -1,-0.3 13,-0.2 -2,-0.2 0.371 109.9-123.7-101.7 0.5 -12.2 55.3 1.8 97 95 A Q T < 5 - 0 0 11 -3,-1.5 2,-0.3 12,-0.2 -3,-0.2 0.946 29.0-165.0 55.6 60.4 -9.5 53.0 0.3 98 96 A V E < -D 93 0B 3 -5,-2.5 -5,-2.6 -6,-0.1 2,-0.7 -0.564 26.0-117.4 -66.7 134.4 -7.8 55.3 -2.1 99 97 A D E >> -D 92 0B 16 -2,-0.3 3,-1.5 -7,-0.2 4,-1.5 -0.702 16.7-154.6 -84.7 114.4 -5.6 53.2 -4.5 100 98 A K T 34 S+ 0 0 86 -9,-2.8 -1,-0.2 -2,-0.7 5,-0.1 0.625 92.9 60.9 -64.0 -15.1 -2.0 54.1 -4.0 101 99 A R T 34 S+ 0 0 3 -10,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.723 112.3 36.4 -81.6 -24.0 -1.2 52.9 -7.5 102 100 A Y T <4 S+ 0 0 16 -3,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.611 125.2 28.3 -98.6 -20.8 -3.6 55.5 -9.0 103 101 A H S < S- 0 0 22 -4,-1.5 2,-0.8 137,-0.0 -1,-0.2 -0.983 76.5-112.2-143.6 150.4 -3.0 58.4 -6.6 104 102 A K - 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