==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE INHIBITOR 28-FEB-12 4DY3 . COMPND 2 MOLECULE: INHIBITOR OF G-TYPE LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.LEYSEN,S.VANHEUVERZWIJN,K.VAN ASTEN,L.VANDERKELEN,C.W.MICH . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 32.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 25 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 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 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 4 0 0 4 0 2 0 2 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 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 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 23 A A 0 0 123 0, 0.0 25,-0.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0-139.5 4.5 -28.9 -2.8 2 24 A G - 0 0 24 25,-0.3 2,-0.3 23,-0.1 26,-0.2 -0.123 360.0 -99.7 -79.5-175.3 8.3 -28.8 -2.8 3 25 A K - 0 0 29 2,-0.0 26,-2.7 23,-0.0 2,-0.5 -0.736 16.2-144.4-112.0 158.1 10.4 -27.4 -5.6 4 26 A N E -a 29 0A 119 -2,-0.3 2,-0.4 24,-0.2 26,-0.2 -0.975 24.7-178.4-122.5 118.2 12.3 -29.0 -8.5 5 27 A V E -a 30 0A 21 24,-3.2 26,-2.9 -2,-0.5 2,-0.6 -0.928 26.3-131.5-123.9 137.9 15.5 -27.3 -9.5 6 28 A N E -a 31 0A 104 -2,-0.4 2,-0.3 24,-0.2 26,-0.2 -0.795 30.4-126.9 -86.2 119.7 18.1 -27.9 -12.2 7 29 A V + 0 0 16 24,-2.8 2,-0.4 -2,-0.6 26,-0.2 -0.491 32.3 180.0 -67.0 124.5 21.7 -27.9 -10.7 8 30 A E - 0 0 141 -2,-0.3 2,-0.3 24,-0.1 24,-0.0 -0.997 12.5-154.7-129.4 128.7 24.0 -25.6 -12.6 9 31 A F - 0 0 61 -2,-0.4 7,-0.1 4,-0.1 3,-0.1 -0.784 30.6-104.6 -96.1 145.7 27.6 -25.0 -11.7 10 32 A R > - 0 0 172 5,-0.5 3,-2.2 -2,-0.3 5,-0.2 -0.439 61.7 -82.4 -56.7 141.1 29.5 -21.8 -12.6 11 33 A K T 3 S+ 0 0 200 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.229 116.3 13.1 -55.4 131.9 31.7 -22.7 -15.5 12 34 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.425 107.8 104.5 84.1 -1.2 34.9 -24.4 -14.4 13 35 A H < - 0 0 91 -3,-2.2 -1,-0.3 2,-0.1 -4,-0.1 -0.715 60.3-148.4-112.6 163.1 33.7 -25.0 -10.9 14 36 A S + 0 0 46 -2,-0.2 96,-2.1 -3,-0.1 2,-0.3 0.159 68.7 51.3-123.3 18.3 32.4 -28.2 -9.2 15 37 A S E -E 109 0B 39 94,-0.2 -5,-0.5 -5,-0.2 2,-0.3 -0.992 50.3-166.1-149.3 157.1 29.8 -27.2 -6.7 16 38 A A E -E 108 0B 9 92,-1.9 92,-2.9 -2,-0.3 2,-0.4 -0.983 14.6-142.1-139.8 152.0 26.6 -25.1 -6.3 17 39 A Q E +E 107 0B 107 -2,-0.3 2,-0.3 90,-0.2 90,-0.2 -0.928 18.8 179.4-116.3 137.8 24.8 -23.9 -3.2 18 40 A Y E -E 106 0B 46 88,-2.6 88,-3.1 -2,-0.4 2,-0.4 -0.956 14.0-150.5-133.3 153.4 21.0 -23.7 -2.8 19 41 A S E +E 105 0B 12 110,-0.5 110,-0.3 -2,-0.3 2,-0.3 -0.959 28.0 145.8-120.7 144.8 18.7 -22.7 0.0 20 42 A G E -E 104 0B 11 84,-2.3 84,-2.5 -2,-0.4 2,-0.3 -0.895 34.7-135.5-156.3-173.7 15.2 -24.0 0.7 21 43 A E E -E 103 0B 75 -2,-0.3 2,-0.4 82,-0.2 82,-0.2 -0.862 15.8-161.3-158.0 120.0 12.6 -24.8 3.3 22 44 A I E -E 102 0B 0 80,-2.2 80,-2.7 -2,-0.3 2,-0.4 -0.857 5.6-165.1-106.4 142.5 10.4 -28.0 3.3 23 45 A K E > -E 101 0B 108 -2,-0.4 3,-2.4 78,-0.2 78,-0.2 -0.963 53.2 -34.6-127.9 142.6 7.2 -28.4 5.2 24 46 A G T 3 S- 0 0 3 76,-2.1 67,-0.3 -2,-0.4 73,-0.1 -0.214 128.2 -11.5 50.1-126.0 5.3 -31.5 6.0 25 47 A Y T 3 S+ 0 0 125 71,-0.2 -1,-0.3 65,-0.1 -23,-0.1 0.441 102.9 121.5 -86.3 -2.9 5.5 -34.0 3.2 26 48 A D < - 0 0 53 -3,-2.4 65,-0.4 -25,-0.1 2,-0.3 -0.344 39.8-174.0 -60.4 139.8 7.1 -31.6 0.7 27 49 A Y - 0 0 104 63,-0.1 2,-0.4 -5,-0.1 -25,-0.3 -0.992 17.2-135.1-135.1 146.7 10.4 -32.5 -0.7 28 50 A D E - B 0 89A 5 61,-2.2 61,-2.7 -2,-0.3 2,-0.5 -0.805 14.6-152.4-100.7 142.7 12.8 -30.6 -2.9 29 51 A T E -aB 4 88A 1 -26,-2.7 -24,-3.2 -2,-0.4 2,-0.6 -0.963 6.8-166.1-118.3 125.7 14.5 -32.2 -5.9 30 52 A Y E -aB 5 87A 0 57,-3.0 57,-3.0 -2,-0.5 2,-0.4 -0.956 18.8-158.0-109.6 112.2 17.9 -31.0 -7.3 31 53 A T E +aB 6 86A 11 -26,-2.9 -24,-2.8 -2,-0.6 2,-0.3 -0.745 18.0 164.6 -98.5 136.5 18.3 -32.6 -10.7 32 54 A F E - B 0 85A 8 53,-2.5 53,-3.8 -2,-0.4 2,-0.4 -0.993 30.9-134.2-147.0 154.9 21.7 -33.1 -12.4 33 55 A Y E + B 0 84A 164 -2,-0.3 2,-0.3 51,-0.2 51,-0.2 -0.904 36.8 158.8-104.6 135.2 23.3 -35.0 -15.3 34 56 A A E - B 0 83A 12 49,-2.1 49,-2.4 -2,-0.4 2,-0.3 -0.968 35.4-104.7-151.7 169.9 26.6 -36.7 -14.6 35 57 A K > - 0 0 143 -2,-0.3 3,-2.3 47,-0.2 44,-0.2 -0.700 44.9 -89.9-101.3 145.8 29.0 -39.4 -15.8 36 58 A K T 3 S+ 0 0 140 -2,-0.3 46,-0.1 1,-0.3 -1,-0.1 -0.230 113.9 22.7 -46.4 130.7 29.6 -42.8 -14.3 37 59 A G T 3 S+ 0 0 46 42,-2.9 -1,-0.3 1,-0.4 2,-0.1 0.299 86.6 130.0 92.1 -12.7 32.4 -42.7 -11.8 38 60 A Q < - 0 0 55 -3,-2.3 41,-2.8 41,-0.1 2,-0.4 -0.442 58.3-122.2 -65.7 152.4 32.1 -39.0 -11.1 39 61 A K E -F 78 0B 77 72,-3.0 72,-2.6 39,-0.2 2,-0.4 -0.875 20.5-157.4-109.0 133.3 31.9 -38.4 -7.3 40 62 A V E +FG 77 110B 0 37,-3.0 37,-2.2 -2,-0.4 2,-0.4 -0.860 10.3 179.5-107.9 141.1 29.1 -36.6 -5.5 41 63 A H E - G 0 109B 50 68,-2.4 68,-2.7 -2,-0.4 2,-0.5 -0.985 6.1-170.8-138.8 124.7 29.4 -34.9 -2.1 42 64 A V E - G 0 108B 9 22,-0.4 2,-0.4 33,-0.4 66,-0.2 -0.975 2.7-175.0-121.0 128.6 26.4 -33.2 -0.5 43 65 A S E - G 0 107B 54 64,-2.2 64,-3.1 -2,-0.5 2,-0.3 -0.931 4.7-171.9-116.5 146.1 26.6 -31.1 2.6 44 66 A I E - G 0 106B 35 -2,-0.4 62,-0.2 62,-0.2 22,-0.1 -0.998 24.8-142.8-142.7 143.5 23.5 -29.6 4.4 45 67 A S S S+ 0 0 76 60,-2.0 2,-0.6 -2,-0.3 61,-0.1 0.692 92.0 55.0 -78.4 -21.5 23.2 -27.2 7.2 46 68 A N > - 0 0 49 59,-0.2 3,-2.0 3,-0.1 -1,-0.2 -0.935 63.1-165.6-120.4 106.8 20.2 -28.8 8.8 47 69 A E T 3 S+ 0 0 110 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.587 85.8 73.9 -72.1 -7.5 20.7 -32.5 9.7 48 70 A G T 3 S+ 0 0 25 1,-0.1 2,-0.8 2,-0.1 44,-0.4 0.597 83.4 78.1 -75.0 -12.8 16.9 -32.8 10.1 49 71 A A S < S- 0 0 3 -3,-2.0 42,-0.2 42,-0.1 -3,-0.1 -0.877 81.1-144.6 -98.9 106.9 16.7 -32.6 6.3 50 72 A D E -C 90 0A 42 40,-2.2 40,-1.6 -2,-0.8 2,-0.4 -0.280 6.2-150.6 -65.4 156.5 17.6 -36.0 4.8 51 73 A T E +C 89 0A 0 38,-0.2 13,-2.4 -4,-0.1 14,-0.5 -0.922 19.9 174.7-136.8 105.4 19.4 -36.0 1.5 52 74 A Y E -CD 88 63A 70 36,-2.4 36,-3.3 -2,-0.4 2,-0.5 -0.927 20.7-140.2-119.2 142.4 18.9 -39.0 -0.8 53 75 A L E -CD 87 62A 0 9,-2.8 9,-2.2 -2,-0.4 2,-0.3 -0.852 17.6-177.9-105.8 129.4 20.1 -39.7 -4.3 54 76 A F E +C 86 0A 46 32,-2.8 32,-3.1 -2,-0.5 7,-0.1 -0.917 28.7 96.2-118.2 147.7 18.0 -41.3 -7.0 55 77 A G > - 0 0 27 3,-0.4 3,-1.8 -2,-0.3 30,-0.2 -0.982 66.3 -19.3 163.1-170.6 19.1 -42.2 -10.5 56 78 A P T 3 S+ 0 0 42 0, 0.0 25,-0.3 0, 0.0 3,-0.1 -0.293 122.3 15.2 -63.9 141.7 20.4 -44.6 -13.1 57 79 A G T 3 S+ 0 0 64 1,-0.2 2,-0.6 23,-0.1 -3,-0.0 0.526 101.0 115.6 72.0 4.5 22.2 -47.7 -11.6 58 80 A I < - 0 0 22 -3,-1.8 2,-0.7 2,-0.1 -3,-0.4 -0.936 60.4-144.2-111.4 116.8 20.7 -47.0 -8.2 59 81 A D S S- 0 0 151 -2,-0.6 2,-0.9 2,-0.1 0, 0.0 -0.681 76.7 -39.6 -71.2 112.6 18.2 -49.5 -6.6 60 82 A D S S- 0 0 118 -2,-0.7 -5,-0.3 -5,-0.1 2,-0.3 -0.546 114.5 -36.8 69.0-102.7 15.7 -47.2 -4.8 61 83 A S - 0 0 27 -2,-0.9 2,-0.4 -7,-0.1 -7,-0.2 -0.976 45.1-129.1-153.1 161.0 18.0 -44.5 -3.3 62 84 A V E -D 53 0A 7 -9,-2.2 -9,-2.8 -2,-0.3 2,-0.6 -0.963 25.1-127.2-115.9 129.4 21.3 -43.8 -1.7 63 85 A D E +D 52 0A 36 -2,-0.4 7,-0.3 -11,-0.2 -11,-0.2 -0.653 27.3 177.5 -74.8 115.9 21.7 -42.0 1.6 64 86 A L + 0 0 2 -13,-2.4 -22,-0.4 -2,-0.6 -12,-0.1 0.375 35.9 124.3 -99.3 3.0 24.2 -39.1 1.0 65 87 A S S > S- 0 0 32 -14,-0.5 3,-2.4 1,-0.1 6,-0.2 -0.208 78.9 -94.6 -67.3 164.2 24.0 -37.6 4.5 66 88 A R T 3 S+ 0 0 168 1,-0.3 -1,-0.1 -22,-0.1 9,-0.1 0.696 121.0 40.1 -60.3 -31.0 27.2 -37.2 6.5 67 89 A Y T 3 S+ 0 0 164 3,-0.0 -1,-0.3 8,-0.0 -2,-0.1 0.316 83.1 132.6 -98.5 5.4 27.2 -40.4 8.5 68 90 A S X - 0 0 8 -3,-2.4 3,-1.4 1,-0.1 7,-0.1 -0.348 56.7-141.5 -60.0 133.1 25.9 -42.6 5.7 69 91 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.642 96.4 74.4 -69.4 -11.5 27.8 -45.9 5.2 70 92 A E T 3 S+ 0 0 102 -7,-0.3 2,-0.2 5,-0.0 -6,-0.1 0.636 85.0 80.9 -72.7 -17.2 27.4 -45.4 1.4 71 93 A L S < S- 0 0 27 -3,-1.4 6,-0.2 -6,-0.2 2,-0.1 -0.540 76.1-128.3 -88.9 156.5 30.1 -42.7 1.4 72 94 A D > - 0 0 62 4,-2.2 3,-2.1 -2,-0.2 -1,-0.1 -0.220 45.6 -80.1 -86.7-172.8 33.9 -43.0 1.5 73 95 A S T 3 S+ 0 0 118 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.674 131.8 56.2 -66.5 -16.2 36.3 -41.4 3.9 74 96 A H T 3 S- 0 0 136 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.307 119.4-109.2 -94.0 6.8 36.1 -38.2 1.8 75 97 A G S < S+ 0 0 18 -3,-2.1 -33,-0.4 1,-0.3 2,-0.3 0.714 77.1 135.8 72.9 20.6 32.3 -38.1 2.2 76 98 A Q - 0 0 23 -35,-0.1 -4,-2.2 -37,-0.0 2,-0.4 -0.726 44.2-156.8-108.2 152.8 31.9 -39.0 -1.5 77 99 A Y E -F 40 0B 33 -37,-2.2 -37,-3.0 -2,-0.3 2,-0.6 -0.994 18.7-133.8-124.2 130.6 29.8 -41.4 -3.5 78 100 A S E -F 39 0B 59 -2,-0.4 -39,-0.2 -39,-0.2 -40,-0.1 -0.748 25.1-122.1 -85.5 120.6 30.8 -42.7 -6.9 79 101 A L - 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