==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 11-AUG-10 3OD9 . COMPND 2 MOLECULE: PUTATIVE EXPORTED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA; . AUTHOR S.LEYSEN,J.M.VAN HERREWEGHE,L.CALLEWAERT,M.HEIRBAUT,P.BUNTIN . 361 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 42.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.9 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+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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 3 6 3 6 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 4 0 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 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 21 A D 0 0 172 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 139.3 -16.9 -16.9 0.7 2 22 A G - 0 0 58 1,-0.2 19,-0.1 17,-0.2 2,-0.0 -0.052 360.0 -26.9 -94.1-160.0 -15.8 -15.2 -2.5 3 23 A F + 0 0 70 17,-0.1 16,-1.6 -2,-0.0 2,-0.3 -0.261 64.5 160.6 -60.4 129.1 -13.2 -12.4 -3.2 4 24 A F E +A 18 0A 52 14,-0.2 2,-0.4 -3,-0.1 14,-0.2 -0.961 9.0 172.9-151.3 129.0 -12.5 -10.1 -0.3 5 25 A K E -A 17 0A 102 12,-2.0 12,-2.3 -2,-0.3 2,-0.4 -1.000 13.0-159.4-139.5 138.4 -9.5 -7.9 0.3 6 26 A Q E -A 16 0A 71 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.969 13.0-178.1-118.6 132.2 -8.8 -5.3 3.0 7 27 A L E -A 15 0A 38 8,-2.8 8,-2.9 -2,-0.4 2,-0.5 -0.966 20.5-140.1-128.5 144.1 -6.2 -2.5 2.6 8 28 A T E -A 14 0A 92 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.911 22.0-143.1-103.1 127.3 -5.1 0.3 4.9 9 29 A L > - 0 0 8 4,-3.1 3,-2.2 -2,-0.5 87,-0.0 -0.420 29.0-103.4 -81.2 160.9 -4.5 3.7 3.2 10 30 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 62,-0.0 0.834 122.0 58.5 -53.8 -34.2 -1.6 6.0 4.2 11 31 A S T 3 S- 0 0 60 1,-0.1 3,-0.1 2,-0.1 85,-0.0 0.590 120.6-108.1 -68.2 -13.7 -4.2 8.2 6.0 12 32 A G S < S+ 0 0 29 -3,-2.2 -1,-0.1 1,-0.4 27,-0.0 0.179 78.1 133.6 97.1 -16.4 -5.1 5.3 8.2 13 33 A Q - 0 0 15 -5,-0.1 -4,-3.1 82,-0.1 2,-0.4 -0.288 48.8-138.2 -58.8 154.8 -8.5 4.9 6.5 14 34 A V E -AB 8 35A 3 21,-2.1 21,-3.1 -6,-0.2 2,-0.4 -0.948 15.8-166.2-123.8 136.7 -9.4 1.3 5.6 15 35 A V E -AB 7 34A 0 -8,-2.9 -8,-2.8 -2,-0.4 2,-0.4 -0.969 1.8-162.8-122.5 139.0 -10.9 0.1 2.4 16 36 A T E -AB 6 33A 2 17,-2.6 17,-2.5 -2,-0.4 2,-0.4 -0.934 1.4-163.3-115.3 150.3 -12.5 -3.3 1.5 17 37 A V E +AB 5 32A 1 -12,-2.3 -12,-2.0 -2,-0.4 2,-0.4 -0.998 14.2 173.6-131.8 127.8 -13.2 -4.7 -1.9 18 38 A S E -AB 4 31A 14 13,-2.0 13,-2.6 -2,-0.4 -14,-0.2 -0.989 28.7-131.5-133.5 142.4 -15.5 -7.7 -2.5 19 39 A E E - B 0 30A 35 -16,-1.6 11,-0.3 -2,-0.4 -17,-0.2 -0.599 53.6 -81.7 -80.8 154.1 -17.0 -9.5 -5.4 20 40 A G > - 0 0 7 9,-1.9 3,-1.5 -2,-0.2 2,-0.1 -0.300 50.6-106.4 -59.4 136.5 -20.8 -10.0 -5.2 21 41 A R T 3 S+ 0 0 140 1,-0.2 -1,-0.1 -19,-0.1 -3,-0.0 -0.405 99.6 9.6 -66.5 132.6 -21.8 -13.0 -3.1 22 42 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.2 -2,-0.1 144,-0.2 0.424 96.1 135.4 83.1 -1.5 -23.1 -16.0 -5.1 23 43 A E < - 0 0 25 -3,-1.5 -1,-0.3 1,-0.1 144,-0.1 -0.366 61.2 -97.7 -79.3 157.9 -22.1 -14.5 -8.4 24 44 A P - 0 0 29 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.315 29.0-120.1 -67.6 158.0 -20.3 -16.4 -11.2 25 45 A A S S+ 0 0 75 1,-0.2 -2,-0.1 3,-0.1 3,-0.1 0.877 107.5 55.9 -64.3 -36.5 -16.6 -16.1 -11.5 26 46 A S S S+ 0 0 59 1,-0.1 56,-0.4 32,-0.1 2,-0.3 0.692 117.4 0.5 -76.3 -23.3 -16.8 -14.7 -15.0 27 47 A T S S+ 0 0 50 -3,-0.4 2,-0.3 29,-0.2 29,-0.2 -0.993 76.6 87.3-161.8 157.3 -19.0 -11.7 -14.5 28 48 A G E - C 0 55A 3 27,-1.8 27,-2.5 -2,-0.3 2,-0.3 -0.947 64.9 -51.3 155.5-124.0 -21.0 -9.8 -11.9 29 49 A S E - C 0 54A 0 -2,-0.3 -9,-1.9 25,-0.3 2,-0.3 -0.875 29.9-159.2-140.4 170.2 -20.3 -6.9 -9.5 30 50 A Y E -BC 19 53A 0 23,-2.4 23,-3.0 -2,-0.3 2,-0.3 -0.969 12.0-144.5-145.5 161.8 -17.9 -5.8 -6.9 31 51 A D E -BC 18 52A 3 -13,-2.6 -13,-2.0 -2,-0.3 2,-0.4 -0.940 2.0-152.6-126.3 155.8 -18.1 -3.2 -4.1 32 52 A V E -BC 17 51A 0 19,-2.2 19,-2.2 -2,-0.3 2,-0.4 -0.997 15.8-171.2-122.6 127.0 -15.7 -0.8 -2.5 33 53 A R E -BC 16 50A 5 -17,-2.5 -17,-2.6 -2,-0.4 2,-0.4 -0.985 7.6-153.9-125.7 131.2 -16.3 0.2 1.1 34 54 A L E -BC 15 49A 0 15,-3.1 14,-3.0 -2,-0.4 15,-1.3 -0.884 12.3-176.9-109.0 136.0 -14.4 2.9 3.0 35 55 A Y E -BC 14 47A 0 -21,-3.1 -21,-2.1 -2,-0.4 12,-0.2 -0.888 35.3-120.4-126.7 155.4 -14.0 3.0 6.8 36 56 A S - 0 0 31 10,-2.5 11,-0.1 -2,-0.3 8,-0.1 0.824 29.2-152.3 -66.6 -32.1 -12.3 5.6 9.1 37 57 A G + 0 0 8 6,-0.5 -1,-0.1 9,-0.2 7,-0.1 0.669 41.1 150.0 67.0 17.7 -9.8 3.0 10.4 38 58 A A + 0 0 72 1,-0.2 -1,-0.1 8,-0.1 3,-0.1 0.814 69.4 39.3 -56.2 -35.2 -9.7 5.1 13.6 39 59 A N S > S- 0 0 74 3,-0.4 3,-1.7 1,-0.1 6,-0.3 -0.926 72.3-163.6-115.7 104.7 -9.0 2.0 15.7 40 60 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.718 90.5 61.0 -63.0 -19.7 -6.5 -0.3 13.8 41 61 A Q T 3 S+ 0 0 149 1,-0.3 3,-0.1 2,-0.1 -3,-0.0 0.732 119.4 27.5 -74.4 -23.9 -7.5 -3.1 16.1 42 62 A F S X S+ 0 0 119 -3,-1.7 3,-1.7 1,-0.1 -3,-0.4 -0.576 78.6 167.8-132.7 69.4 -11.1 -2.8 14.9 43 63 A P T 3 S+ 0 0 27 0, 0.0 -6,-0.5 0, 0.0 3,-0.3 0.639 71.8 49.5 -67.9 -16.8 -10.5 -1.4 11.4 44 64 A L T 3 S+ 0 0 10 100,-0.2 3,-0.2 1,-0.2 -28,-0.0 0.129 80.0 99.2-108.7 21.6 -14.0 -2.0 10.1 45 65 A D S < S+ 0 0 62 -3,-1.7 2,-0.5 -6,-0.3 -1,-0.2 0.701 78.1 52.6 -80.3 -20.3 -15.9 -0.4 13.0 46 66 A Q S S- 0 0 108 -3,-0.3 -10,-2.5 -4,-0.2 -1,-0.2 -0.732 73.1-163.2-125.2 83.9 -16.6 3.0 11.4 47 67 A F E +C 35 0A 33 -2,-0.5 -12,-0.3 -12,-0.2 3,-0.1 -0.379 14.2 172.4 -65.4 139.1 -18.2 2.8 8.0 48 68 A I E - 0 0 72 -14,-3.0 2,-0.3 1,-0.4 -13,-0.2 0.783 54.6 -41.0-110.6 -55.9 -18.1 5.9 5.8 49 69 A D E -C 34 0A 63 -15,-1.3 -15,-3.1 126,-0.1 -1,-0.4 -0.978 48.2-163.2-168.5 165.4 -19.4 5.1 2.3 50 70 A G E -C 33 0A 6 124,-0.4 124,-0.5 -2,-0.3 2,-0.3 -0.989 5.9-151.3-156.9 165.1 -19.4 2.5 -0.5 51 71 A K E -CD 32 173A 61 -19,-2.2 -19,-2.2 -2,-0.3 2,-0.4 -0.984 9.1-145.6-137.7 149.1 -20.1 1.9 -4.1 52 72 A V E +C 31 0A 15 120,-0.5 120,-0.4 -2,-0.3 -21,-0.2 -0.971 24.3 178.6-115.5 133.0 -21.2 -1.1 -6.2 53 73 A L E -C 30 0A 25 -23,-3.0 -23,-2.4 -2,-0.4 2,-0.1 -0.929 29.5-107.5-130.6 152.7 -19.8 -1.5 -9.7 54 74 A P E -C 29 0A 85 0, 0.0 2,-0.4 0, 0.0 -25,-0.3 -0.443 27.6-151.7 -72.5 152.0 -20.2 -4.0 -12.6 55 75 A R E -C 28 0A 5 -27,-2.5 -27,-1.8 -2,-0.1 2,-1.3 -0.986 10.9-158.8-126.3 124.7 -17.2 -6.3 -13.4 56 76 A D S S- 0 0 102 -2,-0.4 2,-0.3 -29,-0.2 -29,-0.2 -0.651 81.1 -15.3 -93.9 73.9 -16.7 -7.6 -16.9 57 77 A G S S- 0 0 0 -2,-1.3 2,-0.3 -31,-0.2 24,-0.3 -0.924 103.7 -41.4 130.0-157.0 -14.5 -10.5 -15.6 58 78 A S E -H 80 0B 46 22,-2.2 22,-2.8 -2,-0.3 2,-0.2 -0.853 59.6 -98.7-110.5 146.4 -12.7 -11.2 -12.4 59 79 A I E +H 79 0B 20 -2,-0.3 20,-0.3 20,-0.2 3,-0.1 -0.475 42.9 173.8 -63.1 128.2 -10.7 -8.8 -10.2 60 80 A K E + 0 0 103 18,-3.3 2,-0.3 1,-0.4 19,-0.2 0.673 57.3 7.1-110.0 -31.4 -7.1 -9.3 -11.1 61 81 A E E -H 78 0B 62 17,-1.4 17,-2.7 2,-0.0 2,-0.4 -0.991 48.6-152.8-153.8 148.1 -5.3 -6.6 -9.2 62 82 A L E -H 77 0B 42 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.994 24.7-174.5-117.3 130.8 -5.7 -3.8 -6.6 63 83 A K E -H 76 0B 76 13,-2.4 13,-2.9 -2,-0.4 2,-0.6 -0.963 22.2-154.0-126.1 143.7 -3.4 -0.9 -6.8 64 84 A L E +H 75 0B 60 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.914 39.6 146.9-114.0 100.9 -2.8 2.2 -4.6 65 85 A L E -H 74 0B 77 9,-1.8 9,-2.8 -2,-0.6 2,-0.7 -0.996 52.7-114.9-139.0 140.3 -1.3 4.8 -6.8 66 86 A D + 0 0 57 -2,-0.4 -2,-0.0 7,-0.3 9,-0.0 -0.659 39.5 165.1 -74.9 111.4 -1.6 8.6 -7.0 67 87 A L S S+ 0 0 14 -2,-0.7 -1,-0.2 5,-0.3 27,-0.0 0.689 71.3 43.1 -98.6 -25.7 -3.4 9.4 -10.2 68 88 A N S S- 0 0 69 4,-0.3 -1,-0.1 0, 0.0 -2,-0.1 0.418 105.9-112.9-108.4 0.5 -4.3 13.1 -9.7 69 89 A G S S+ 0 0 56 3,-0.2 -3,-0.1 1,-0.1 -2,-0.0 0.550 80.8 120.3 84.4 8.9 -1.2 14.5 -8.1 70 90 A D S S- 0 0 61 2,-0.3 -1,-0.1 1,-0.1 -4,-0.0 0.348 83.5-115.5 -87.0 9.2 -2.5 15.2 -4.6 71 91 A K S S+ 0 0 188 1,-0.2 -5,-0.1 0, 0.0 -1,-0.1 0.177 85.0 105.3 81.2 -14.0 0.1 12.8 -3.2 72 92 A Q S S- 0 0 56 -7,-0.1 -4,-0.3 1,-0.0 -5,-0.3 -0.729 76.0-108.7 -97.5 143.8 -2.5 10.4 -1.9 73 93 A P - 0 0 20 0, 0.0 22,-0.4 0, 0.0 -7,-0.3 -0.502 21.3-147.5 -73.4 138.9 -3.2 7.1 -3.6 74 94 A E E -H 65 0B 1 -9,-2.8 -9,-1.8 -2,-0.2 2,-0.5 -0.627 27.4-113.4 -81.6 157.4 -6.3 6.4 -5.5 75 95 A L E -HI 64 93B 0 18,-2.4 18,-2.1 -2,-0.2 2,-0.5 -0.870 29.7-163.5 -92.4 127.5 -7.6 2.9 -5.5 76 96 A I E -HI 63 92B 0 -13,-2.9 -13,-2.4 -2,-0.5 2,-0.6 -0.960 4.6-165.6-112.7 124.1 -7.4 1.1 -8.8 77 97 A V E -HI 62 91B 0 14,-2.8 14,-1.8 -2,-0.5 2,-0.5 -0.947 9.9-160.7-107.8 115.1 -9.4 -2.1 -9.3 78 98 A V E -HI 61 90B 2 -17,-2.7 -18,-3.3 -2,-0.6 -17,-1.4 -0.850 5.1-165.6-102.2 129.3 -8.3 -4.0 -12.4 79 99 A V E -HI 59 89B 2 10,-3.3 10,-2.4 -2,-0.5 2,-0.5 -0.940 5.9-153.9-118.4 134.8 -10.7 -6.5 -13.9 80 100 A E E -HI 58 88B 66 -22,-2.8 -22,-2.2 -2,-0.4 8,-0.2 -0.933 18.4-127.5-112.4 124.0 -9.7 -9.2 -16.5 81 101 A S - 0 0 23 6,-2.8 -24,-0.2 -2,-0.5 -54,-0.1 -0.318 10.4-133.2 -64.1 146.4 -12.3 -10.6 -18.9 82 102 A A S S+ 0 0 77 -56,-0.4 -1,-0.1 4,-0.1 -25,-0.1 0.536 73.9 113.2 -75.2 -9.2 -12.8 -14.4 -19.1 83 103 A G S > S- 0 0 35 1,-0.1 3,-1.8 -57,-0.1 0, 0.0 -0.147 87.0-105.6 -60.0 160.8 -12.8 -14.0 -22.9 84 104 A S T 3 S+ 0 0 135 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.788 121.5 56.3 -61.6 -26.2 -9.9 -15.4 -24.9 85 105 A G T 3 S- 0 0 31 26,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.581 97.1-141.4 -81.2 -10.4 -8.5 -11.9 -25.4 86 106 A S < - 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