==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 18-OCT-04 1XS0 . COMPND 2 MOLECULE: INHIBITOR OF VERTEBRATE LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.ABERGEL,V.MONCHOIS,D.BYRN,J.C.LAZZARONI,J.M.CLAVERIE . 384 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.3 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 . 3 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 . 36 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 5 1 3 2 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 1 0 0 6 3 3 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 0 1 0 0 0 0 0 1 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 3 A D 0 0 138 0, 0.0 2,-0.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 150.0 15.8 10.1 -1.8 2 4 A L + 0 0 31 4,-0.1 37,-0.5 3,-0.1 2,-0.3 -0.647 360.0 142.6 -80.7 114.0 18.8 9.0 -4.0 3 5 A T > - 0 0 14 -2,-0.6 4,-2.0 35,-0.1 5,-0.2 -0.874 66.5 -97.8-144.7 168.9 20.3 5.9 -2.6 4 6 A I H > S+ 0 0 2 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.894 124.3 55.1 -62.7 -35.2 21.9 2.7 -3.9 5 7 A S H > S+ 0 0 14 28,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.892 106.4 47.4 -67.2 -40.0 18.5 1.1 -3.4 6 8 A S H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.835 111.0 52.9 -70.8 -30.1 16.5 3.6 -5.4 7 9 A L H < S+ 0 0 3 -4,-2.0 10,-0.3 1,-0.2 -2,-0.2 0.914 107.3 52.7 -67.7 -39.8 19.1 3.3 -8.2 8 10 A A H < S+ 0 0 7 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.767 119.8 33.4 -67.1 -22.5 18.6 -0.5 -8.2 9 11 A K H < S+ 0 0 97 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.686 89.3 116.8-106.7 -18.4 14.8 -0.2 -8.5 10 12 A G >X - 0 0 24 -4,-2.1 4,-3.0 -5,-0.2 3,-1.4 -0.156 68.6-126.8 -56.0 136.9 14.5 2.9 -10.7 11 13 A E T 34 S+ 0 0 147 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 0.883 108.5 32.3 -53.5 -41.0 12.9 2.5 -14.1 12 14 A T T 34 S+ 0 0 121 1,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.326 125.6 41.8-101.0 6.9 15.7 4.1 -15.9 13 15 A T T <> S+ 0 0 13 -3,-1.4 4,-2.7 -7,-0.2 3,-0.2 0.569 89.9 83.0-122.1 -21.5 18.6 3.1 -13.6 14 16 A K H X S+ 0 0 76 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.813 90.8 49.2 -59.6 -35.7 17.9 -0.6 -12.8 15 17 A A H > S+ 0 0 73 -4,-0.3 4,-1.8 -5,-0.2 -1,-0.2 0.915 112.5 48.9 -72.3 -35.0 19.3 -2.2 -15.8 16 18 A A H > S+ 0 0 38 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.899 112.6 48.8 -65.8 -37.9 22.5 -0.1 -15.4 17 19 A F H X S+ 0 0 7 -4,-2.7 4,-2.1 -10,-0.3 5,-0.2 0.950 110.4 50.1 -68.5 -43.2 22.7 -1.1 -11.8 18 20 A N H X S+ 0 0 80 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.862 110.6 50.6 -63.2 -32.7 22.1 -4.8 -12.6 19 21 A Q H >< S+ 0 0 86 -4,-1.8 3,-0.9 2,-0.2 -1,-0.2 0.925 106.7 55.0 -69.6 -46.2 24.9 -4.6 -15.2 20 22 A M H 3< S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.869 116.9 36.1 -54.3 -41.9 27.2 -3.0 -12.6 21 23 A V H >< S+ 0 0 28 -4,-2.1 3,-2.5 -5,-0.1 4,-0.4 0.455 87.2 131.0 -91.5 1.5 26.7 -6.0 -10.2 22 24 A Q T << S+ 0 0 126 -3,-0.9 -3,-0.1 -4,-0.5 75,-0.1 -0.317 80.6 5.9 -61.0 124.3 26.5 -8.6 -12.9 23 25 A G T 3 S+ 0 0 74 -2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.516 107.2 97.5 83.7 5.9 28.7 -11.5 -12.1 24 26 A H S < S- 0 0 58 -3,-2.5 -2,-0.1 2,-0.0 -3,-0.0 0.541 73.1-144.0-104.3 -5.6 29.6 -10.2 -8.7 25 27 A K - 0 0 196 -4,-0.4 -3,-0.1 1,-0.1 -4,-0.0 0.892 29.2-176.2 42.7 59.6 27.2 -12.1 -6.4 26 28 A L - 0 0 39 -5,-0.3 -1,-0.1 1,-0.1 5,-0.1 -0.503 30.2 -90.0 -85.0 153.2 26.5 -9.3 -3.9 27 29 A P >> - 0 0 38 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.177 33.7-113.8 -61.7 152.8 24.4 -9.7 -0.7 28 30 A A H >> S+ 0 0 62 1,-0.3 4,-1.4 2,-0.2 3,-0.6 0.787 107.9 71.6 -58.3 -29.2 20.6 -9.0 -0.8 29 31 A W H 3>>S+ 0 0 17 1,-0.2 4,-0.7 2,-0.2 5,-0.6 0.760 85.2 66.6 -64.6 -22.0 20.9 -6.0 1.4 30 32 A V H X45S+ 0 0 2 -3,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.947 104.7 42.0 -63.9 -47.0 22.6 -3.9 -1.2 31 33 A M H <<5S+ 0 0 95 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.810 112.7 54.2 -67.7 -32.1 19.5 -3.8 -3.4 32 34 A K H 3<5S- 0 0 143 -4,-1.4 -1,-0.3 -24,-0.0 -2,-0.2 0.584 90.4-164.0 -74.5 -15.0 17.3 -3.3 -0.3 33 35 A G T <<5 + 0 0 5 -3,-0.8 -28,-0.3 -4,-0.7 -3,-0.1 0.681 26.8 157.0 30.3 41.1 19.7 -0.3 0.3 34 36 A G < + 0 0 44 -5,-0.6 2,-0.8 1,-0.2 22,-0.1 0.970 55.5 37.2 -53.8 -86.3 18.5 -0.1 3.9 35 37 A T E S+A 55 0A 12 20,-0.6 20,-2.5 168,-0.1 2,-0.3 -0.625 82.9 158.5 -78.6 113.5 21.2 1.6 6.0 36 38 A Y E -A 54 0A 96 -2,-0.8 18,-0.2 18,-0.2 3,-0.0 -0.939 40.2-127.8-138.2 159.6 22.6 4.3 3.8 37 39 A T E -A 53 0A 29 16,-1.8 16,-0.7 -2,-0.3 3,-0.1 -0.769 46.4 -92.9-101.6 143.6 24.5 7.5 4.0 38 40 A P E - 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 -0.264 48.6 -96.6 -60.8 147.4 23.2 10.6 2.2 39 41 A A E - 0 0 22 -37,-0.5 2,-0.3 13,-0.1 13,-0.2 -0.308 39.4-158.7 -63.2 141.4 24.4 11.1 -1.3 40 42 A Q E -A 51 0A 34 11,-2.5 11,-3.4 -3,-0.1 2,-0.5 -0.892 16.0-122.8-119.0 153.2 27.3 13.6 -1.6 41 43 A T E +A 50 0A 69 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.840 32.5 178.6 -98.3 132.1 28.3 15.5 -4.7 42 44 A V E -A 49 0A 0 7,-2.9 7,-2.7 -2,-0.5 2,-0.5 -0.997 17.1-148.7-133.8 139.4 31.9 15.0 -5.9 43 45 A T E -A 48 0A 15 -2,-0.3 83,-2.4 5,-0.2 2,-0.5 -0.948 11.2-175.8-112.7 123.0 33.7 16.5 -9.0 44 46 A L E > -Ab 47 126A 23 3,-2.6 3,-1.2 -2,-0.5 2,-0.7 -0.939 67.3 -44.1-116.2 109.0 36.6 14.5 -10.8 45 47 A G E 3 S- b 0 127A 19 81,-3.3 83,-2.2 -2,-0.5 -2,-0.0 -0.651 125.7 -24.2 73.8-115.8 38.3 16.4 -13.6 46 48 A D T 3 S+ 0 0 128 -2,-0.7 2,-0.4 81,-0.2 -1,-0.2 0.048 120.8 84.1-120.2 29.4 35.4 17.9 -15.4 47 49 A E E < -A 44 0A 56 -3,-1.2 -3,-2.6 2,-0.0 2,-0.4 -0.977 60.8-144.8-132.8 145.1 32.5 15.6 -14.4 48 50 A T E -A 43 0A 63 -2,-0.4 24,-0.4 -5,-0.2 2,-0.3 -0.874 16.9-177.2-111.4 141.2 30.3 15.5 -11.4 49 51 A Y E -A 42 0A 43 -7,-2.7 -7,-2.9 -2,-0.4 2,-0.5 -0.941 29.5-125.8-135.5 156.2 28.8 12.5 -9.6 50 52 A Q E -AC 41 69A 31 19,-3.4 19,-2.9 -2,-0.3 2,-0.5 -0.880 31.6-156.8 -96.7 126.3 26.5 11.7 -6.7 51 53 A V E +AC 40 68A 2 -11,-3.4 -11,-2.5 -2,-0.5 2,-0.3 -0.961 17.1 176.0-111.9 127.6 28.5 9.4 -4.4 52 54 A M E - C 0 67A 1 15,-3.0 15,-2.6 -2,-0.5 2,-0.3 -0.872 9.8-169.9-127.8 159.0 26.4 7.1 -2.2 53 55 A S E +AC 37 66A 10 -16,-0.7 -16,-1.8 -2,-0.3 2,-0.3 -0.964 5.1 178.5-145.6 164.0 27.1 4.4 0.2 54 56 A A E -AC 36 65A 2 11,-2.1 11,-2.6 -2,-0.3 2,-0.3 -0.984 8.2-159.1-156.0 163.0 25.3 1.8 2.2 55 57 A a E -AC 35 64A 12 -20,-2.5 -20,-0.6 -2,-0.3 9,-0.3 -0.934 37.2 -75.6-147.6 168.5 26.1 -1.0 4.6 56 58 A K > - 0 0 82 7,-2.5 3,-2.4 3,-0.4 6,-0.2 -0.493 55.6-112.0 -68.0 119.2 24.7 -4.2 6.1 57 59 A P T 3 S+ 0 0 46 0, 0.0 147,-0.2 0, 0.0 146,-0.1 -0.242 99.5 6.0 -52.6 132.2 22.0 -3.4 8.7 58 60 A H T 3 S+ 0 0 128 145,-1.6 146,-0.1 1,-0.1 145,-0.1 0.492 133.9 53.7 68.1 4.8 23.3 -4.4 12.2 59 61 A D X> + 0 0 50 -3,-2.4 3,-1.6 144,-0.4 4,-1.0 -0.129 65.8 147.7-154.1 51.1 26.8 -5.3 10.9 60 62 A a T 34 + 0 0 17 142,-0.4 -4,-0.3 1,-0.3 3,-0.2 0.799 67.6 54.9 -60.4 -35.3 27.6 -2.0 9.2 61 63 A G T 34 S+ 0 0 8 1,-0.2 -1,-0.3 -6,-0.1 3,-0.1 0.607 106.8 53.8 -77.8 -8.4 31.2 -2.1 9.8 62 64 A S T <4 S+ 0 0 8 -3,-1.6 21,-2.7 1,-0.3 2,-0.4 0.690 115.7 21.9 -95.2 -31.8 31.6 -5.5 8.2 63 65 A Q E < S+ D 0 82A 36 -4,-1.0 -7,-2.5 -3,-0.2 2,-0.3 -0.970 72.8 152.7-142.7 124.4 30.0 -5.2 4.8 64 66 A R E -CD 55 81A 32 17,-2.3 17,-3.0 -2,-0.4 2,-0.3 -0.967 21.4-155.8-151.0 164.0 29.6 -2.0 2.9 65 67 A I E -CD 54 80A 0 -11,-2.6 -11,-2.1 -2,-0.3 2,-0.3 -0.981 0.9-161.1-144.9 149.8 29.3 -0.6 -0.6 66 68 A A E -CD 53 79A 0 13,-2.4 13,-2.8 -2,-0.3 2,-0.3 -0.981 7.9-170.9-132.3 145.4 29.9 2.7 -2.4 67 69 A V E -CD 52 78A 0 -15,-2.6 -15,-3.0 -2,-0.3 2,-0.5 -0.999 11.8-155.5-135.3 136.8 28.5 3.8 -5.8 68 70 A M E +CD 51 77A 5 9,-3.2 9,-2.4 -2,-0.3 2,-0.4 -0.968 20.8 179.3-109.9 123.0 29.4 6.9 -7.9 69 71 A W E -CD 50 76A 27 -19,-2.9 -19,-3.4 -2,-0.5 2,-0.8 -0.991 24.1-142.4-128.8 132.8 26.5 7.9 -10.3 70 72 A S > - 0 0 0 5,-2.8 4,-2.3 -2,-0.4 5,-0.2 -0.824 5.9-159.5 -91.1 112.9 26.5 10.8 -12.8 71 73 A E T 4 S+ 0 0 129 -2,-0.8 -1,-0.2 1,-0.2 -22,-0.1 0.779 92.4 52.9 -61.1 -22.4 22.9 12.2 -12.8 72 74 A K T 4 S+ 0 0 149 -24,-0.4 -1,-0.2 1,-0.1 -23,-0.1 0.920 123.4 20.9 -81.5 -43.6 23.8 13.8 -16.2 73 75 A S T 4 S- 0 0 46 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.497 92.9-130.3-102.8 -6.0 25.1 10.7 -18.1 74 76 A N < + 0 0 57 -4,-2.3 2,-0.1 1,-0.2 -3,-0.1 0.419 59.6 145.0 69.7 2.8 23.4 8.0 -15.9 75 77 A Q - 0 0 97 -5,-0.2 -5,-2.8 -6,-0.1 2,-0.3 -0.448 27.5-171.5 -73.1 141.0 26.8 6.3 -15.8 76 78 A M E -D 69 0A 20 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.993 15.8-178.5-140.0 145.3 27.8 4.5 -12.5 77 79 A T E -D 68 0A 19 -9,-2.4 -9,-3.2 -2,-0.3 2,-0.3 -0.927 16.6-173.8-132.5 156.1 30.8 2.8 -10.9 78 80 A G E -DE 67 95A 0 17,-2.5 17,-2.8 -2,-0.3 2,-0.3 -0.925 21.2-146.7-148.2 178.1 31.1 1.1 -7.5 79 81 A L E -DE 66 94A 0 -13,-2.8 -13,-2.4 -2,-0.3 2,-0.4 -0.968 9.9-162.8-149.9 127.4 33.1 -0.6 -4.8 80 82 A F E -DE 65 93A 13 13,-2.7 13,-2.6 -2,-0.3 2,-0.4 -0.921 9.7-169.7-112.4 139.1 32.1 -3.4 -2.4 81 83 A S E -DE 64 92A 0 -17,-3.0 -17,-2.3 -2,-0.4 2,-0.4 -0.989 8.3-177.9-131.2 134.1 34.0 -4.2 0.8 82 84 A T E -DE 63 91A 40 9,-1.9 9,-3.0 -2,-0.4 2,-0.6 -0.999 16.8-146.7-129.7 134.5 33.8 -7.2 3.3 83 85 A I E - E 0 90A 24 -21,-2.7 2,-0.3 -2,-0.4 7,-0.2 -0.907 21.1-124.7-104.7 124.2 35.9 -7.4 6.4 84 86 A D > - 0 0 36 5,-2.6 4,-2.5 -2,-0.6 5,-0.1 -0.506 7.9-149.2 -71.2 126.1 37.0 -10.9 7.4 85 87 A E T 4 S+ 0 0 149 -2,-0.3 -1,-0.1 1,-0.2 57,-0.1 0.900 96.6 49.7 -61.3 -39.8 35.9 -11.8 10.9 86 88 A K T 4 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.885 130.1 11.5 -67.1 -43.7 39.0 -14.0 11.3 87 89 A T T 4 S- 0 0 65 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.606 85.1-127.7-113.2 -20.0 41.8 -11.7 10.0 88 90 A S < + 0 0 40 -4,-2.5 2,-0.1 1,-0.3 -3,-0.1 0.628 59.3 150.3 76.9 9.9 40.3 -8.3 9.8 89 91 A Q - 0 0 124 -5,-0.1 -5,-2.6 -6,-0.1 2,-0.5 -0.513 42.8-135.1 -70.8 147.3 41.6 -8.3 6.3 90 92 A E E -E 83 0A 71 -7,-0.2 2,-0.6 -2,-0.1 -7,-0.2 -0.938 12.8-157.8-113.0 125.7 39.4 -6.2 4.0 91 93 A K E -E 82 0A 148 -9,-3.0 -9,-1.9 -2,-0.5 2,-0.4 -0.893 9.9-161.6-106.0 120.0 38.5 -7.6 0.6 92 94 A L E -E 81 0A 65 -2,-0.6 2,-0.5 -11,-0.2 -11,-0.2 -0.820 7.3-165.2-102.0 141.1 37.5 -5.0 -2.1 93 95 A T E -E 80 0A 49 -13,-2.6 -13,-2.7 -2,-0.4 2,-0.4 -0.987 15.0-144.6-123.7 120.1 35.5 -5.8 -5.3 94 96 A W E -E 79 0A 74 -2,-0.5 2,-1.0 -15,-0.2 -15,-0.2 -0.729 1.4-152.6 -88.8 130.5 35.6 -3.0 -7.9 95 97 A L E +E 78 0A 0 -17,-2.8 -17,-2.5 -2,-0.4 -74,-0.1 -0.845 46.9 133.1-101.1 89.7 32.3 -2.7 -9.8 96 98 A N + 0 0 34 -2,-1.0 2,-0.3 -19,-0.2 4,-0.2 0.846 15.7 159.1-102.8 -66.2 33.8 -1.3 -13.1 97 99 A V S S+ 0 0 76 1,-0.2 -1,-0.1 -3,-0.2 -20,-0.1 0.223 82.7 54.2 54.0 -13.8 32.4 -3.0 -16.3 98 100 A N S S- 0 0 102 -2,-0.3 -1,-0.2 -78,-0.0 -21,-0.0 0.488 95.1-137.4-118.3 -16.7 33.5 0.1 -18.2 99 101 A D + 0 0 143 1,-0.1 -2,-0.1 3,-0.0 -3,-0.0 0.784 69.2 123.6 60.4 24.7 37.2 0.4 -17.2 100 102 A A + 0 0 66 -4,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.524 33.2 112.6 -94.3 -6.7 36.4 4.1 -16.8 101 103 A L - 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