==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-98 1WQO . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.YAMAGATA,M.KUBOTA,Y.SUMIKAWA,J.FUNAHASHI,S.FUJII,K.YUTANI . 130 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 0 0 1 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 1 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 . 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 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 K 0 0 79 0, 0.0 39,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 142.8 1.5 20.5 22.0 2 2 A V B -A 39 0A 101 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.964 360.0-147.5-112.4 105.0 4.1 19.6 19.3 3 3 A F - 0 0 11 35,-2.4 2,-0.3 -2,-0.7 3,-0.0 -0.404 10.0-122.8 -70.7 151.9 6.8 22.2 19.5 4 4 A E > - 0 0 150 -2,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.707 34.7-106.8 -91.3 150.2 8.7 23.3 16.4 5 5 A R H > S+ 0 0 95 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.897 113.8 35.1 -43.0 -65.1 12.5 22.8 16.8 6 6 A a H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.814 114.0 58.5 -66.7 -29.1 13.8 26.4 17.3 7 7 A E H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.946 111.0 43.3 -63.7 -46.1 10.7 27.4 19.3 8 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.912 110.8 55.7 -63.9 -43.0 11.6 24.6 21.7 9 9 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.927 110.1 44.8 -56.5 -46.8 15.3 25.5 21.7 10 10 A R H X S+ 0 0 114 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.881 111.7 54.1 -67.5 -33.8 14.5 29.1 22.7 11 11 A T H X S+ 0 0 22 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.927 107.9 48.4 -65.5 -46.1 12.1 28.0 25.3 12 12 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 6,-0.3 0.867 109.6 52.9 -64.0 -36.4 14.6 25.6 27.0 13 13 A K H ><5S+ 0 0 96 -4,-1.7 3,-1.7 -5,-0.2 -1,-0.2 0.927 108.1 50.2 -64.3 -44.5 17.3 28.4 27.1 14 14 A R H 3<5S+ 0 0 188 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 106.9 55.9 -64.3 -29.0 14.9 30.8 28.8 15 15 A L T 3<5S- 0 0 55 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.286 121.9-107.1 -86.2 7.9 14.1 28.1 31.3 16 16 A G T < 5S+ 0 0 38 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.755 78.1 131.6 74.9 30.6 17.8 27.7 32.2 17 17 A M > < + 0 0 0 -5,-2.4 3,-2.0 2,-0.1 2,-0.7 0.729 34.9 107.8 -87.0 -20.4 18.6 24.4 30.6 18 18 A D T 3 S- 0 0 83 -6,-0.3 6,-0.2 1,-0.3 4,-0.1 -0.419 103.4 -10.0 -65.1 105.8 21.7 25.5 28.7 19 19 A G T > S+ 0 0 39 4,-2.0 3,-2.0 -2,-0.7 -1,-0.3 0.598 86.7 167.1 84.8 11.8 24.6 23.9 30.6 20 20 A Y B X S-B 23 0B 55 -3,-2.0 3,-2.2 3,-0.8 -1,-0.3 -0.439 79.4 -9.9 -62.0 122.2 22.5 22.7 33.5 21 21 A R T 3 S- 0 0 163 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.880 135.4 -54.6 53.4 36.0 24.6 20.2 35.5 22 22 A G T < S+ 0 0 76 -3,-2.0 2,-0.6 1,-0.2 -1,-0.3 0.495 106.2 132.4 78.7 5.7 27.1 20.4 32.6 23 23 A I B < -B 20 0B 11 -3,-2.2 -4,-2.0 -6,-0.1 -3,-0.8 -0.820 50.1-137.9 -96.9 117.3 24.5 19.5 29.9 24 24 A S >> - 0 0 45 -2,-0.6 3,-1.3 -5,-0.2 4,-1.3 -0.297 21.5-114.2 -70.2 153.1 24.5 21.7 26.8 25 25 A L H 3> S+ 0 0 6 1,-0.3 4,-2.4 2,-0.2 3,-0.4 0.877 115.1 61.1 -54.6 -41.9 21.2 22.8 25.2 26 26 A A H 3> S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.799 102.5 52.9 -58.1 -28.6 21.9 20.8 22.1 27 27 A N H <> S+ 0 0 31 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.871 108.1 49.0 -73.6 -38.4 21.9 17.6 24.2 28 28 A W H X S+ 0 0 0 -4,-1.3 4,-2.8 -3,-0.4 -2,-0.2 0.882 111.7 50.0 -66.1 -39.1 18.5 18.4 25.7 29 29 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.913 109.9 50.1 -65.0 -43.2 17.2 19.1 22.2 30 30 A b H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.908 112.6 48.6 -61.4 -41.2 18.6 15.7 21.0 31 31 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.957 111.7 46.2 -64.6 -51.8 16.9 14.1 24.0 32 32 A A H X>S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 6,-1.5 0.877 112.3 54.3 -58.0 -38.6 13.5 15.7 23.5 33 33 A K H X5S+ 0 0 69 -4,-2.3 4,-0.6 4,-0.2 -1,-0.2 0.929 115.3 35.8 -61.2 -50.1 13.7 14.8 19.7 34 34 A W H <5S+ 0 0 97 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.730 120.0 48.7 -79.6 -24.6 14.3 11.1 20.2 35 35 A E H <5S- 0 0 46 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.934 136.9 -7.8 -80.1 -49.2 12.1 10.7 23.3 36 36 A S H <5S- 0 0 20 -4,-2.2 3,-0.3 20,-0.4 -3,-0.2 0.535 82.8-113.1-127.5 -9.4 8.9 12.4 22.1 37 37 A G S < -A 2 0A 40 -3,-0.3 3,-0.9 -7,-0.3 -37,-0.2 -0.852 40.0-162.5-103.5 118.0 5.4 16.3 21.7 40 40 A T T 3 S+ 0 0 2 -39,-2.9 16,-0.3 -2,-0.6 -1,-0.1 0.651 87.7 52.4 -70.6 -19.1 4.2 17.2 25.3 41 41 A R T 3 S+ 0 0 187 -40,-0.3 -1,-0.2 14,-0.2 44,-0.1 0.429 75.9 128.8-100.0 3.3 1.3 14.7 25.4 42 42 A A < + 0 0 23 -3,-0.9 13,-2.2 12,-0.1 2,-0.4 -0.319 33.2 179.7 -60.5 130.6 3.3 11.6 24.4 43 43 A T E -C 54 0C 75 11,-0.2 2,-0.4 -2,-0.1 11,-0.2 -0.979 9.9-168.2-133.2 145.2 2.8 8.7 26.8 44 44 A N E -C 53 0C 92 9,-1.9 9,-2.7 -2,-0.4 2,-0.4 -0.923 10.2-150.0-141.7 115.0 4.4 5.2 26.7 45 45 A Y E -C 52 0C 123 -2,-0.4 2,-0.9 7,-0.2 7,-0.2 -0.676 8.3-148.8 -83.9 129.7 3.3 2.2 28.7 46 46 A N E >>> -C 51 0C 47 5,-3.0 4,-1.5 -2,-0.4 3,-1.0 -0.841 8.5-168.6-101.4 96.7 6.0 -0.3 29.5 47 47 A A T 345S+ 0 0 77 -2,-0.9 -1,-0.2 1,-0.2 3,-0.1 0.830 80.0 66.6 -52.2 -38.1 4.2 -3.6 29.7 48 48 A G T 345S+ 0 0 85 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.814 120.7 10.6 -55.2 -42.5 7.3 -5.2 31.2 49 49 A D T <45S- 0 0 68 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.290 98.0-114.5-126.1 11.2 7.4 -3.3 34.5 50 50 A R T <5S+ 0 0 161 -4,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.650 73.3 125.7 65.0 23.2 4.0 -1.6 34.7 51 51 A S E < -C 46 0C 0 -5,-0.7 -5,-3.0 19,-0.1 2,-0.3 -0.663 47.6-143.8-106.3 165.4 5.5 1.9 34.5 52 52 A T E -C 45 0C 9 -7,-0.2 9,-2.3 -2,-0.2 2,-0.4 -0.968 6.9-137.1-133.2 141.0 4.6 4.7 32.0 53 53 A D E -CD 44 60C 29 -9,-2.7 -9,-1.9 -2,-0.3 2,-0.4 -0.867 27.7-154.6 -96.6 134.2 6.9 7.4 30.4 54 54 A Y E > -CD 43 59C 23 5,-2.4 5,-2.1 -2,-0.4 3,-0.4 -0.923 31.0 -29.1-123.2 133.8 5.3 10.9 30.3 55 55 A G T > 5S- 0 0 1 -13,-2.2 3,-1.1 -2,-0.4 -14,-0.2 -0.124 97.8 -25.0 78.4-166.4 5.7 14.0 28.2 56 56 A I T 3 5S+ 0 0 2 28,-0.3 -20,-0.4 -16,-0.3 -18,-0.3 0.830 140.7 36.1 -57.9 -36.9 8.3 15.7 26.1 57 57 A F T 3 5S- 0 0 2 -3,-0.4 -1,-0.3 27,-0.1 -2,-0.2 0.384 105.6-126.6 -98.0 2.5 11.2 14.1 28.1 58 58 A Q T < 5 - 0 0 13 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.945 34.9-165.4 48.8 56.3 9.4 10.8 28.6 59 59 A I E < -D 54 0C 3 -5,-2.1 -5,-2.4 -6,-0.1 2,-0.3 -0.599 16.6-119.1 -77.6 128.9 9.9 10.9 32.4 60 60 A N E >>> -D 53 0C 27 -2,-0.3 4,-2.1 -7,-0.2 3,-1.0 -0.518 5.5-143.6 -79.0 133.2 9.3 7.6 34.1 61 61 A S T 345S+ 0 0 0 -9,-2.3 6,-0.2 -2,-0.3 7,-0.1 0.596 90.9 73.1 -66.6 -17.0 6.6 7.0 36.7 62 62 A R T 345S+ 0 0 42 11,-0.2 12,-2.6 -10,-0.2 -1,-0.2 0.829 120.0 5.0 -72.0 -27.2 8.6 4.5 38.8 63 63 A Y T <45S+ 0 0 125 -3,-1.0 13,-2.9 10,-0.2 -2,-0.2 0.726 131.1 38.8-124.0 -37.4 10.9 7.2 40.2 64 64 A W T <5S+ 0 0 31 -4,-2.1 13,-2.0 11,-0.3 15,-0.4 0.807 109.4 19.9 -96.1 -35.7 10.0 10.7 39.1 65 65 A c < - 0 0 0 -5,-0.6 2,-0.5 9,-0.2 15,-0.2 -0.934 69.0-116.1-135.7 160.1 6.2 11.3 39.2 66 66 A N B +e 80 0D 86 13,-2.8 15,-2.5 -2,-0.3 16,-0.4 -0.861 36.0 155.7-102.2 125.3 3.1 9.8 40.7 67 67 A D - 0 0 39 -2,-0.5 -1,-0.1 -6,-0.2 13,-0.1 0.285 51.0-128.8-120.3 0.5 0.4 8.2 38.6 68 68 A G S S+ 0 0 62 -7,-0.1 -2,-0.0 1,-0.1 5,-0.0 0.217 92.2 74.7 73.7 -18.1 -0.9 5.9 41.4 69 69 A K + 0 0 126 2,-0.1 -1,-0.1 -19,-0.0 -3,-0.0 0.429 65.9 100.0-107.7 1.5 -0.8 2.7 39.3 70 70 A T S > S- 0 0 14 -9,-0.1 3,-1.0 -18,-0.0 -2,-0.1 -0.787 75.4-121.3 -91.9 121.0 3.0 1.9 39.2 71 71 A P T 3 S- 0 0 66 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.323 85.5 -5.4 -60.9 137.7 4.0 -0.7 41.8 72 72 A G T 3 S+ 0 0 80 1,-0.2 2,-0.2 -2,-0.0 -10,-0.0 0.800 97.0 152.9 45.8 42.3 6.7 0.3 44.3 73 73 A A < - 0 0 34 -3,-1.0 2,-0.3 -5,-0.0 -10,-0.2 -0.571 31.3-152.7 -99.7 159.5 7.2 3.7 42.7 74 74 A V - 0 0 89 -12,-2.6 2,-0.2 -2,-0.2 -9,-0.2 -0.751 13.7-134.6-122.3 176.9 8.4 6.9 44.2 75 75 A N > + 0 0 45 -2,-0.3 3,-1.1 -11,-0.1 -11,-0.3 -0.633 29.9 164.3-136.1 73.4 7.8 10.5 43.3 76 76 A A T 3 S+ 0 0 22 -13,-2.9 -12,-0.2 1,-0.3 -11,-0.1 0.827 80.4 49.9 -64.3 -32.5 11.1 12.4 43.4 77 77 A d T 3 S- 0 0 21 -13,-2.0 -1,-0.3 -14,-0.1 -12,-0.1 0.602 105.5-131.8 -81.4 -7.7 9.9 15.4 41.4 78 78 A H < + 0 0 157 -3,-1.1 2,-0.3 -14,-0.3 -13,-0.1 0.941 62.7 126.3 55.5 54.2 6.9 15.5 43.8 79 79 A L - 0 0 36 -15,-0.4 -13,-2.8 16,-0.0 2,-0.3 -0.950 68.6-113.6-140.5 153.7 4.5 15.8 40.9 80 80 A S B > -e 66 0D 71 -2,-0.3 3,-1.6 -15,-0.2 4,-0.4 -0.706 34.7-125.1 -79.9 141.5 1.4 14.2 39.5 81 81 A c G > S+ 0 0 2 -15,-2.5 3,-1.4 -2,-0.3 -14,-0.1 0.762 108.5 74.2 -60.5 -20.9 2.5 12.6 36.2 82 82 A S G > S+ 0 0 81 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.825 84.0 64.5 -58.5 -33.6 -0.4 14.7 34.8 83 83 A A G X S+ 0 0 17 -3,-1.6 3,-0.9 1,-0.3 9,-0.3 0.757 94.2 61.0 -63.7 -23.8 1.8 17.8 35.1 84 84 A L G < S+ 0 0 5 -3,-1.4 -28,-0.3 -4,-0.4 -1,-0.3 0.302 95.7 61.3 -87.0 8.0 4.1 16.3 32.6 85 85 A L G < S+ 0 0 57 -3,-1.9 -1,-0.2 -30,-0.1 -2,-0.2 0.266 80.4 115.2-114.8 9.1 1.4 16.2 29.9 86 86 A Q S < S- 0 0 83 -3,-0.9 6,-0.1 2,-0.2 -3,-0.0 -0.306 71.3-129.9 -77.1 161.0 0.8 20.0 29.9 87 87 A D S S+ 0 0 99 -2,-0.1 2,-0.7 -46,-0.0 -1,-0.1 0.787 98.6 75.4 -76.9 -33.7 1.5 22.3 26.9 88 88 A N S S- 0 0 109 1,-0.1 3,-0.5 -48,-0.0 4,-0.3 -0.749 72.0-162.5 -81.3 116.2 3.5 24.5 29.4 89 89 A I > + 0 0 6 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.335 58.4 107.4 -86.9 12.6 6.7 22.7 29.9 90 90 A A H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 85.0 42.5 -55.6 -46.1 7.8 24.5 33.1 91 91 A D H > S+ 0 0 62 -3,-0.5 4,-2.3 -8,-0.2 -1,-0.2 0.896 112.6 53.0 -68.9 -39.3 7.1 21.5 35.4 92 92 A A H > S+ 0 0 7 -9,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.858 110.9 48.4 -63.2 -37.4 8.6 19.0 32.9 93 93 A V H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.895 109.8 50.5 -70.7 -41.5 11.8 21.1 32.9 94 94 A A H X S+ 0 0 54 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.890 114.0 46.4 -63.9 -36.6 11.9 21.3 36.7 95 95 A d H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.904 109.9 52.0 -73.2 -37.7 11.5 17.5 36.8 96 96 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.899 107.7 53.5 -63.3 -39.9 14.1 16.9 34.1 97 97 A K H < S+ 0 0 43 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.902 108.0 50.9 -60.9 -40.9 16.6 19.1 36.2 98 98 A R H >< S+ 0 0 67 -4,-1.6 3,-1.1 1,-0.2 4,-0.3 0.911 106.4 55.5 -62.3 -42.6 15.9 16.9 39.2 99 99 A V H >< S+ 0 0 2 -4,-2.2 3,-1.5 1,-0.3 6,-0.3 0.917 107.2 47.5 -58.1 -47.1 16.6 13.7 37.2 100 100 A V T 3< S+ 0 0 3 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.477 93.4 77.1 -77.2 -2.3 20.1 14.9 36.1 101 101 A R T < S+ 0 0 114 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.615 81.7 86.3 -77.9 -14.6 20.9 15.9 39.6 102 102 A D S X S- 0 0 63 -3,-1.5 3,-1.5 -4,-0.3 6,-0.1 -0.460 101.9 -97.8 -78.7 161.7 21.4 12.1 40.2 103 103 A P T 3 S+ 0 0 138 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.778 118.5 59.7 -50.2 -39.3 24.8 10.6 39.4 104 104 A Q T > S- 0 0 112 1,-0.2 3,-1.7 -5,-0.1 5,-0.1 0.725 83.4-176.6 -63.9 -25.2 24.0 9.2 36.0 105 105 A G G X - 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