==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JAN-98 1XEK . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR H.G.NAGENDRA,N.SUKUMAR,M.VIJAYAN . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 1 0.8 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 . 15 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 5.4 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 0 0 0 1 1 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 . 1 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 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 88 0, 0.0 39,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 162.3 7.3 47.3 28.2 2 2 A V B -A 39 0A 91 37,-0.2 37,-0.2 1,-0.1 36,-0.1 -0.875 360.0-174.6-106.9 122.7 6.2 48.3 24.7 3 3 A F - 0 0 23 35,-2.0 2,-0.3 -2,-0.5 -1,-0.1 0.290 23.5-121.3 -82.3-139.7 8.7 49.2 22.0 4 4 A G > - 0 0 28 1,-0.1 4,-1.8 0, 0.0 5,-0.3 -0.906 32.5 -93.8-162.7 157.8 7.6 50.5 18.7 5 5 A R H > S+ 0 0 61 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.877 126.5 40.2 -44.4 -49.2 8.2 49.1 15.2 6 6 A a H > S+ 0 0 53 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.879 111.6 50.6 -76.0 -45.1 11.3 51.3 14.9 7 7 A E H >> S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 3,-1.9 0.994 115.0 47.3 -52.7 -64.2 12.8 51.1 18.4 8 8 A L H 3X S+ 0 0 0 -4,-1.8 4,-4.3 1,-0.3 5,-0.3 0.863 108.7 52.9 -35.2 -63.1 12.6 47.3 18.2 9 9 A A H 3X S+ 0 0 3 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.3 0.812 110.8 50.0 -45.9 -38.1 14.1 47.3 14.7 10 10 A A H <>S+ 0 0 0 -4,-4.3 5,-1.0 -5,-0.3 3,-1.0 0.960 110.4 49.7 -67.3 -49.0 16.8 43.8 17.0 13 13 A K H ><>S+ 0 0 80 -4,-1.8 3,-1.3 -5,-0.3 5,-0.6 0.893 107.0 51.2 -52.1 -54.2 19.5 45.1 14.6 14 14 A R T 3<5S+ 0 0 176 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.1 -0.120 106.2 55.7 -82.3 35.5 22.3 45.8 17.1 15 15 A H T < 5S- 0 0 55 -3,-1.0 -1,-0.2 -2,-0.4 -2,-0.2 0.317 120.0 -96.6-141.9 -7.0 22.1 42.4 18.8 16 16 A G T < 5S+ 0 0 31 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.147 95.0 108.2 109.3 -17.1 22.6 40.2 15.7 17 17 A L T > < + 0 0 0 -5,-1.0 2,-2.1 1,-0.1 3,-0.7 0.481 47.5 116.4 -71.5 -3.3 19.2 39.2 14.4 18 18 A D T 3 > S+ 0 0 6 2,-0.2 3,-2.0 1,-0.2 4,-2.0 0.889 115.2 63.2 -73.4 -41.3 15.1 41.5 10.0 26 26 A G H 3> S+ 0 0 2 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.908 96.6 61.4 -49.2 -41.9 11.6 42.1 8.7 27 27 A N H 3> S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.793 106.5 43.9 -55.8 -34.7 10.9 38.6 9.8 28 28 A W H <> S+ 0 0 0 -3,-2.0 4,-2.0 -4,-0.4 -1,-0.2 0.906 115.6 43.5 -80.9 -47.3 11.7 39.3 13.4 29 29 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.914 117.4 49.9 -63.2 -42.0 9.9 42.6 13.8 30 30 A b H X S+ 0 0 5 -4,-3.4 4,-1.8 -5,-0.3 -2,-0.2 0.911 108.2 50.4 -60.5 -50.1 7.0 41.0 11.9 31 31 A A H X S+ 0 0 1 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.842 112.1 52.1 -52.3 -40.8 6.9 37.9 14.1 32 32 A A H X>S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 5,-1.3 0.797 102.7 55.5 -63.6 -41.3 6.9 40.4 17.0 33 33 A K H <5S+ 0 0 70 -4,-2.1 4,-0.5 4,-0.2 -2,-0.2 0.945 116.0 37.1 -62.2 -45.7 3.9 42.5 15.8 34 34 A F H <5S+ 0 0 69 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.631 119.7 40.9 -84.8 -19.0 1.6 39.4 15.5 35 35 A E H <5S+ 0 0 36 -4,-1.4 -1,-0.2 20,-0.2 -3,-0.2 0.592 136.0 4.5-105.8 -12.7 2.6 37.2 18.5 36 36 A S T ><5S- 0 0 7 -4,-1.4 3,-0.8 -5,-0.1 -3,-0.2 0.450 84.1-123.1-144.4 -16.7 3.0 39.8 21.2 37 37 A N T 3 + C 0 58B 10 5,-2.0 5,-0.9 -2,-0.5 -10,-0.2 -0.914 30.5 19.8-127.6 157.7 6.7 35.0 27.3 54 54 A G T > 5S- 0 0 0 -14,-0.7 3,-1.4 -2,-0.3 -15,-0.1 0.024 92.8 -52.6 85.6 173.7 8.4 37.9 25.7 55 55 A I T 3 5S+ 0 0 0 28,-0.4 -17,-0.3 1,-0.3 -20,-0.2 0.881 138.3 36.0 -51.5 -48.5 8.7 40.0 22.7 56 56 A L T 3 5S- 0 0 2 -3,-0.1 -1,-0.3 -20,-0.1 -2,-0.2 0.172 107.0-125.2 -98.5 16.2 9.3 36.8 20.7 57 57 A Q T < 5 - 0 0 3 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.696 32.5-168.4 46.2 37.7 6.9 34.6 22.6 58 58 A I E < -C 53 0B 1 -5,-0.9 -5,-2.0 -6,-0.2 2,-0.2 -0.178 20.7-121.3 -53.2 138.2 9.4 31.8 23.5 59 59 A N E >> -C 52 0B 34 -7,-0.2 4,-1.5 1,-0.1 5,-0.6 -0.583 8.1-138.1 -83.9 149.2 7.6 28.7 24.9 60 60 A S T 45S+ 0 0 0 -9,-1.9 14,-0.4 -2,-0.2 4,-0.4 0.804 93.5 56.9 -78.3 -39.7 8.3 27.3 28.3 61 61 A R T 45S+ 0 0 66 1,-0.2 12,-2.8 11,-0.2 -1,-0.2 0.528 121.3 26.1 -72.3 -12.8 8.3 23.5 27.8 62 62 A W T 45S+ 0 0 85 -3,-0.3 13,-1.9 10,-0.2 -2,-0.2 0.622 131.8 18.4-128.2 -16.3 11.0 23.7 25.1 63 63 A W T <5S+ 0 0 13 -4,-1.5 13,-1.1 11,-0.3 15,-0.3 0.647 113.8 17.1-128.2 -22.5 13.2 26.7 25.6 64 64 A c < - 0 0 0 -5,-0.6 10,-0.5 -4,-0.4 2,-0.3 -0.505 68.1-106.4-131.8-161.2 13.1 28.4 29.0 65 65 A N B +d 79 0C 76 13,-0.7 15,-4.0 -2,-0.2 16,-0.5 -0.989 42.2 140.8-147.3 131.5 12.0 27.7 32.6 66 66 A D - 0 0 40 -2,-0.3 -1,-0.1 13,-0.2 3,-0.1 0.319 59.2-115.7-146.7 -3.5 9.1 29.0 34.7 67 67 A G S S+ 0 0 48 -7,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.875 90.3 80.8 50.3 124.6 8.0 26.0 36.7 68 68 A R + 0 0 128 -8,-0.0 -8,-0.1 1,-0.0 -2,-0.1 0.444 65.1 112.8 93.6 94.2 4.6 24.7 36.0 69 69 A T > - 0 0 16 -19,-0.1 2,-3.9 -2,-0.1 3,-1.7 0.037 67.2-135.7 170.0 79.0 5.6 22.7 32.9 70 70 A P T 3 S- 0 0 104 0, 0.0 -9,-0.0 0, 0.0 -20,-0.0 -0.140 94.1 -3.9 -36.8 48.8 5.4 18.9 33.1 71 71 A G T 3 S- 0 0 45 -2,-3.9 2,-0.3 1,-0.0 -10,-0.0 0.639 74.2-166.5 128.1 38.9 8.8 18.3 31.5 72 72 A S < - 0 0 32 -3,-1.7 -10,-0.2 1,-0.2 -11,-0.2 -0.328 6.3-165.1 -59.9 113.5 10.4 21.6 30.3 73 73 A R - 0 0 139 -12,-2.8 -11,-0.2 -2,-0.3 -1,-0.2 0.581 16.7-165.6 -76.8 -11.4 13.3 20.6 28.0 74 74 A N > - 0 0 32 -10,-0.5 3,-2.2 -14,-0.4 -11,-0.3 0.576 11.2-176.6 24.9 51.3 14.6 24.2 28.3 75 75 A L T 3 S+ 0 0 64 -13,-1.9 -1,-0.2 1,-0.3 -12,-0.2 0.380 79.5 50.9 -49.9 -2.2 17.1 24.3 25.4 76 76 A d T 3 S- 0 0 24 -13,-1.1 -1,-0.3 2,-0.2 -12,-0.1 0.574 97.5-135.1-110.2 -16.5 18.3 27.9 26.2 77 77 A N < + 0 0 149 -3,-2.2 -13,-0.1 -14,-0.3 -2,-0.1 0.981 62.2 133.7 54.7 55.8 19.0 27.1 29.9 78 78 A I - 0 0 33 -15,-0.3 -13,-0.7 -4,-0.1 2,-0.3 -0.997 61.9-119.4-136.3 135.8 17.3 30.5 30.6 79 79 A P B > -d 65 0C 65 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.547 23.4-128.7 -75.9 137.5 14.6 31.3 33.2 80 80 A c T >> S+ 0 0 1 -15,-4.0 4,-1.2 -2,-0.3 3,-1.2 0.781 102.6 77.1 -56.2 -26.8 11.4 32.5 31.5 81 81 A S H 3> S+ 0 0 73 -16,-0.5 4,-1.0 1,-0.3 -1,-0.3 0.751 84.6 58.4 -55.6 -37.3 11.7 35.5 33.9 82 82 A A H <4 S+ 0 0 32 -3,-1.7 8,-0.3 2,-0.2 -1,-0.3 0.754 103.6 52.5 -66.4 -29.0 14.5 37.2 31.9 83 83 A L H <4 S+ 0 0 1 -3,-1.2 -28,-0.4 -4,-0.5 -2,-0.2 0.912 104.5 56.8 -72.3 -45.7 12.2 37.4 28.7 84 84 A L H < S+ 0 0 39 -4,-1.2 2,-0.2 -30,-0.1 -2,-0.2 0.729 89.1 92.1 -53.8 -37.6 9.5 39.0 30.7 85 85 A S S < S- 0 0 72 -4,-1.0 5,-0.1 1,-0.1 -3,-0.0 -0.504 96.3-109.0 -68.2 133.6 11.9 41.8 31.8 86 86 A S S S+ 0 0 58 -2,-0.2 2,-0.1 2,-0.1 -1,-0.1 0.412 94.2 101.6 -42.5 -8.2 11.8 44.9 29.5 87 87 A D - 0 0 72 -5,-0.2 4,-0.1 1,-0.1 0, 0.0 -0.481 55.3-166.8 -75.0 156.2 15.3 43.8 28.3 88 88 A I > + 0 0 8 -2,-0.1 4,-2.3 2,-0.1 3,-0.4 0.249 68.0 92.6-120.7 1.1 15.3 42.0 24.9 89 89 A T H > S+ 0 0 65 1,-0.2 4,-0.9 2,-0.2 5,-0.1 0.940 83.3 54.9 -58.2 -44.8 18.9 40.6 25.2 90 90 A A H > S+ 0 0 14 -8,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.713 113.7 38.3 -57.5 -37.3 17.6 37.3 26.7 91 91 A S H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.715 110.3 60.0 -87.9 -31.8 15.2 36.5 23.8 92 92 A V H < S+ 0 0 0 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.684 112.3 42.0 -72.0 -17.5 17.6 37.8 21.2 93 93 A N H X S+ 0 0 91 -4,-0.9 4,-1.0 -5,-0.2 3,-0.3 0.871 117.8 42.7 -93.4 -50.3 20.1 35.1 22.5 94 94 A d H X S+ 0 0 3 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.804 114.9 53.1 -67.8 -26.7 17.5 32.3 22.9 95 95 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 5,-0.4 0.798 102.3 56.1 -77.1 -28.0 16.0 33.3 19.5 96 96 A K H > S+ 0 0 54 -3,-0.3 4,-0.6 -4,-0.3 -1,-0.2 0.767 119.2 37.3 -69.4 -28.3 19.5 33.1 17.9 97 97 A K H X S+ 0 0 112 -4,-1.0 4,-1.0 2,-0.1 -2,-0.2 0.919 110.1 56.2 -81.9 -84.7 19.3 29.6 19.4 98 98 A I H >< S+ 0 0 3 -4,-2.7 3,-1.1 1,-0.2 6,-0.3 0.674 115.8 37.4 -6.0 -76.8 15.6 28.5 18.9 99 99 A V H 3<>S+ 0 0 3 -4,-1.1 5,-1.0 1,-0.2 -1,-0.2 0.958 113.1 56.1 -46.2 -78.0 15.6 29.1 15.2 100 100 A S H 3<5S+ 0 0 30 -4,-0.6 2,-2.8 -5,-0.4 -1,-0.2 0.432 76.6 100.2 -33.7 -20.2 19.1 27.8 14.5 101 101 A D T <<5S- 0 0 53 -3,-1.1 2,-2.4 -4,-1.0 -1,-0.2 -0.416 112.6 -89.3 -71.3 58.7 18.4 24.5 16.1 102 102 A G T 5S+ 0 0 68 -2,-2.8 -1,-0.1 1,-0.2 -2,-0.0 -0.442 115.1 83.3 71.0 -78.4 17.9 22.9 12.7 103 103 A N T 5S- 0 0 88 -2,-2.4 2,-0.2 1,-0.1 -1,-0.2 0.689 81.3-134.2 -12.6 -88.9 14.2 23.7 12.6 104 104 A G < - 0 0 19 -5,-1.0 -3,-0.1 -6,-0.3 -1,-0.1 -0.707 51.9 -54.3 134.5-176.5 13.7 27.3 11.4 105 105 A M S > S+ 0 0 4 -2,-0.2 2,-3.0 1,-0.2 3,-1.2 0.820 101.6 124.7 -53.1 -28.0 11.4 30.1 12.8 106 106 A N T 3 + 0 0 77 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.021 53.6 64.9 -33.1 54.0 9.0 27.2 12.2 107 107 A A T 3 S+ 0 0 61 -2,-3.0 2,-0.6 1,-0.0 -1,-0.3 0.087 79.2 96.0-157.8 -4.9 7.7 27.1 15.8 108 108 A W <> - 0 0 8 -3,-1.2 4,-1.6 1,-0.2 5,-0.4 -0.874 60.0-158.4-100.1 122.3 6.2 30.6 15.6 109 109 A V H > S+ 0 0 99 -2,-0.6 4,-3.3 3,-0.2 -1,-0.2 0.913 95.8 37.3 -58.6 -50.4 2.5 30.5 14.8 110 110 A A H 4>S+ 0 0 6 2,-0.3 5,-1.7 -79,-0.2 6,-0.2 0.941 117.8 44.9 -64.4 -68.4 2.7 34.1 13.6 111 111 A W H >>5S+ 0 0 26 3,-0.2 3,-1.1 2,-0.2 4,-1.1 0.959 126.2 38.1 -45.1 -65.8 6.1 34.2 11.9 112 112 A R H 3<5S+ 0 0 88 -4,-1.6 2,-1.8 1,-0.3 4,-0.4 0.940 127.3 31.1 -49.9 -83.4 5.0 30.9 10.3 113 113 A N T 3<5S+ 0 0 125 -4,-3.3 -1,-0.3 -5,-0.4 -2,-0.2 -0.260 135.9 20.0 -81.0 57.3 1.3 31.5 9.6 114 114 A R T <45S+ 0 0 140 -2,-1.8 -3,-0.2 -3,-1.1 -2,-0.2 0.065 123.0 37.7-173.0 -57.1 1.5 35.3 9.0 115 115 A b S < S+ 0 0 57 1,-0.2 3,-0.8 2,-0.1 4,-0.2 0.556 89.8 74.6 -13.2 -63.6 10.6 40.8 4.0 121 121 A Q G > S+ 0 0 113 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.857 72.9 85.5 -31.4 -86.3 12.0 44.4 4.0 122 122 A A G > S+ 0 0 35 -3,-0.5 3,-2.2 1,-0.3 -1,-0.2 0.252 82.7 54.3 12.8 -70.6 8.7 46.3 4.7 123 123 A W G < S+ 0 0 63 -3,-0.8 -1,-0.3 1,-0.3 -114,-0.2 0.609 112.0 46.5 -59.9 -11.5 8.6 46.1 8.5 124 124 A I G < S+ 0 0 10 -3,-1.7 -1,-0.3 -4,-0.2 5,-0.2 0.350 96.7 92.9-108.7 0.0 12.1 47.7 8.8 125 125 A R S < S+ 0 0 122 -3,-2.2 2,-1.3 -4,-0.2 3,-0.1 -0.547 76.0 36.5 -93.6 165.8 11.3 50.4 6.2 126 126 A G S S+ 0 0 60 1,-0.4 -1,-0.1 -2,-0.2 -3,-0.1 -0.474 104.6 85.3 91.3 -57.8 10.1 53.9 7.2 127 127 A a S S- 0 0 14 -2,-1.3 -1,-0.4 1,-0.1 -3,-0.1 -0.091 102.5-102.6 -59.4-179.8 12.3 53.6 10.2 128 128 A R 0 0 229 -3,-0.1 -1,-0.1 -122,-0.1 -3,-0.1 0.416 360.0 360.0 -89.3 -3.0 15.9 54.7 9.8 129 129 A L 0 0 103 -5,-0.2 -119,-0.1 -123,-0.1 -5,-0.0 0.936 360.0 360.0 54.5 360.0 17.1 51.1 9.6