==== 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 12-AUG-10 3OE3 . COMPND 2 MOLECULE: PUTATIVE PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR S.LEYSEN,J.M.VAN HERREWEGHE,L.CALLEWAERT,M.HEIRBAUT,P.BUNTIN . 514 9 6 3 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 70.4 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 . 281 54.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 20 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 0.2 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 . 47 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 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 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 5 6 12 12 6 2 4 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 0 0 0 6 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 27 A Q 0 0 152 0, 0.0 214,-0.0 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 74.8 45.1 25.6 28.0 2 28 A E + 0 0 11 19,-0.1 20,-2.8 2,-0.0 2,-0.4 0.371 360.0 71.3 -99.6 3.9 45.1 26.2 24.3 3 29 A I E +A 21 0A 3 18,-0.2 2,-0.3 2,-0.0 18,-0.2 -0.941 51.1 166.7-127.5 142.1 48.4 24.8 23.2 4 30 A S E -A 20 0A 60 16,-2.5 16,-2.5 -2,-0.4 2,-0.4 -0.980 24.9-128.5-148.9 162.2 49.8 21.3 23.0 5 31 A K E -A 19 0A 62 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.952 17.8-174.4-121.8 132.4 52.7 19.3 21.6 6 32 A S E -A 18 0A 26 12,-2.9 12,-2.8 -2,-0.4 2,-0.4 -0.933 8.2-157.3-120.2 145.8 52.7 16.1 19.5 7 33 A I E -A 17 0A 71 79,-0.5 79,-3.1 -2,-0.4 2,-0.3 -0.980 12.2-171.8-122.7 135.5 55.6 14.0 18.3 8 34 A Y E -AB 16 85A 7 8,-2.4 8,-2.4 -2,-0.4 2,-0.4 -0.940 19.2-138.9-125.6 147.0 55.5 11.7 15.3 9 35 A T E -AB 15 84A 68 75,-2.5 75,-2.3 -2,-0.3 2,-0.2 -0.902 31.4-171.4-101.2 138.4 57.8 9.1 13.8 10 36 A a E > -A 14 0A 10 4,-2.8 4,-1.6 -2,-0.4 3,-0.5 -0.757 28.4 -69.5-128.4 170.4 58.1 9.3 10.1 11 37 A N T 4 S+ 0 0 68 70,-2.9 -1,-0.2 -2,-0.2 70,-0.1 -0.085 110.3 33.2 -56.4 156.0 59.5 7.3 7.1 12 38 A D T 4 S- 0 0 134 1,-0.2 -1,-0.2 68,-0.1 121,-0.0 0.808 131.5 -67.6 66.4 30.5 63.3 7.2 6.6 13 39 A N T 4 S+ 0 0 111 -3,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.943 94.7 139.6 60.6 54.2 64.0 7.2 10.4 14 40 A Q E < -A 10 0A 85 -4,-1.6 -4,-2.8 -3,-0.1 2,-0.4 -0.855 43.2-141.9-127.3 162.2 62.9 10.7 11.1 15 41 A V E -A 9 0A 98 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.975 11.0-166.1-123.0 138.4 61.0 12.6 13.8 16 42 A X E -A 8 0A 8 -8,-2.4 -8,-2.4 -2,-0.4 2,-0.3 -0.984 3.9-161.2-124.3 122.0 58.5 15.4 13.3 17 43 A E E -A 7 0A 28 -2,-0.4 16,-0.4 -10,-0.2 2,-0.4 -0.764 7.3-170.8 -93.7 146.5 57.2 17.6 16.2 18 44 A V E -A 6 0A 0 -12,-2.8 -12,-2.9 -2,-0.3 2,-0.6 -0.992 13.5-153.4-134.9 130.1 54.0 19.6 15.8 19 45 A I E -AC 5 31A 0 12,-2.4 12,-2.4 -2,-0.4 2,-0.4 -0.913 19.2-159.2 -96.8 124.7 52.7 22.3 18.2 20 46 A Y E -AC 4 30A 28 -16,-2.5 -16,-2.5 -2,-0.6 2,-0.4 -0.836 6.6-165.7-104.3 140.8 48.9 22.5 18.0 21 47 A V E +AC 3 29A 2 8,-2.3 8,-2.6 -2,-0.4 2,-0.4 -0.990 8.0 178.3-123.6 133.0 47.0 25.5 19.0 22 48 A N E - C 0 28A 103 -20,-2.8 6,-0.2 -2,-0.4 2,-0.1 -0.909 17.7-151.4-134.3 108.9 43.2 25.4 19.5 23 49 A T > - 0 0 4 4,-3.0 3,-2.0 -2,-0.4 -2,-0.0 -0.405 25.3-116.9 -83.1 158.7 41.7 28.7 20.7 24 50 A E T 3 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.673 116.1 59.8 -63.6 -16.8 38.5 28.9 22.8 25 51 A A T 3 S- 0 0 71 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.427 124.8-100.4 -92.7 -1.0 37.0 30.8 19.8 26 52 A G S < S+ 0 0 55 -3,-2.0 2,-0.5 1,-0.3 -2,-0.1 0.585 74.3 138.9 101.1 13.2 37.5 27.8 17.5 27 53 A N - 0 0 48 15,-0.0 -4,-3.0 2,-0.0 2,-0.4 -0.792 34.3-159.4 -93.8 129.9 40.6 28.8 15.6 28 54 A A E +C 22 0A 11 -2,-0.5 15,-2.2 -6,-0.2 2,-0.3 -0.906 14.4 170.3-116.2 137.3 43.1 26.0 15.0 29 55 A Y E -CD 21 42A 4 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.3 -0.896 15.5-158.1-135.9 164.3 46.8 26.3 14.2 30 56 A A E -CD 20 41A 0 11,-2.1 11,-2.9 -2,-0.3 2,-0.4 -0.989 4.9-156.9-141.8 147.4 49.8 24.1 13.9 31 57 A I E +CD 19 40A 0 -12,-2.4 -12,-2.4 -2,-0.3 2,-0.2 -0.994 13.7 178.8-126.2 127.7 53.5 25.0 14.1 32 58 A I E - D 0 39A 1 7,-1.8 7,-2.6 -2,-0.4 2,-0.5 -0.717 23.4-130.4-115.3 171.7 56.3 22.8 12.6 33 59 A S E + D 0 38A 37 -16,-0.4 2,-0.4 -2,-0.2 5,-0.2 -0.985 31.3 165.5-127.6 118.9 60.0 23.3 12.4 34 60 A Q E > - D 0 37A 40 3,-2.4 3,-1.2 -2,-0.5 -2,-0.0 -0.999 67.2 -4.6-135.8 132.6 61.8 22.9 9.1 35 61 A V T 3 S- 0 0 105 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.895 129.7 -55.7 53.2 43.7 65.3 23.9 8.1 36 62 A N T 3 S+ 0 0 148 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.726 117.4 107.0 63.4 25.1 65.8 25.5 11.5 37 63 A E E < -D 34 0A 70 -3,-1.2 -3,-2.4 2,-0.0 2,-0.4 -0.993 67.3-129.3-131.5 141.9 62.8 27.7 11.2 38 64 A X E -D 33 0A 1 -2,-0.4 -5,-0.2 -5,-0.2 153,-0.1 -0.767 23.3-161.1 -90.0 133.8 59.4 27.6 12.9 39 65 A I E -D 32 0A 3 -7,-2.6 -7,-1.8 -2,-0.4 2,-0.2 -0.952 6.9-146.7-121.3 107.1 56.5 27.8 10.4 40 66 A P E -D 31 0A 19 0, 0.0 14,-2.4 0, 0.0 15,-0.5 -0.558 20.6-170.1 -73.9 142.3 53.0 28.7 11.7 41 67 A X E -DE 30 53A 0 -11,-2.9 -11,-2.1 12,-0.3 2,-0.3 -0.933 12.5-141.4-134.1 153.4 50.2 27.0 9.9 42 68 A R E -DE 29 52A 90 10,-2.7 10,-2.4 -2,-0.3 -13,-0.2 -0.885 30.3-101.7-116.4 144.9 46.4 27.5 9.8 43 69 A L E + E 0 51A 41 -15,-2.2 8,-0.3 -2,-0.3 -15,-0.1 -0.466 46.1 162.8 -60.5 129.9 43.7 24.9 9.6 44 70 A X E + 0 0 105 6,-3.4 2,-0.3 1,-0.4 7,-0.2 0.575 57.6 29.1-125.3 -20.2 42.3 24.8 6.1 45 71 A K E E 0 50A 90 5,-1.5 5,-2.5 1,-0.1 -1,-0.4 -0.998 360.0 360.0-145.3 147.3 40.4 21.5 5.7 46 72 A X 0 0 167 -2,-0.3 -1,-0.1 3,-0.2 -2,-0.0 0.226 360.0 360.0-153.0 360.0 38.5 19.2 8.0 47 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 75 A G 0 0 68 0, 0.0 2,-0.3 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0-130.4 40.8 14.7 9.1 49 76 A A E - F 0 64A 12 15,-1.8 15,-1.9 2,-0.0 2,-0.4 -0.951 360.0-171.3-143.9 121.4 42.6 18.0 9.6 50 77 A N E -EF 45 63A 25 -5,-2.5 -6,-3.4 -2,-0.3 -5,-1.5 -0.931 4.5-164.6-117.1 136.9 44.9 19.8 7.1 51 78 A Y E -EF 43 62A 22 11,-2.8 11,-2.6 -2,-0.4 2,-0.3 -0.892 1.4-160.6-120.2 151.6 47.0 22.8 7.8 52 79 A E E -EF 42 61A 36 -10,-2.4 -10,-2.7 -2,-0.3 9,-0.2 -0.961 34.5 -90.7-130.9 146.0 48.7 25.3 5.4 53 80 A A E -E 41 0A 11 7,-1.9 -12,-0.3 -2,-0.3 -22,-0.1 -0.278 24.9-149.0 -54.6 134.3 51.6 27.8 6.0 54 81 A I S S+ 0 0 68 -14,-2.4 2,-0.7 1,-0.1 -1,-0.1 0.882 86.3 72.0 -70.3 -42.0 50.3 31.2 7.0 55 82 A D S > S- 0 0 79 -15,-0.5 3,-2.3 1,-0.2 -2,-0.1 -0.699 78.7-150.7 -76.9 112.0 53.3 32.9 5.4 56 83 A K T 3 S+ 0 0 171 -2,-0.7 -1,-0.2 1,-0.3 -3,-0.1 0.597 89.4 75.8 -64.9 -11.9 52.6 32.4 1.7 57 84 A N T 3 S+ 0 0 147 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.647 92.9 64.9 -71.5 -15.3 56.4 32.4 0.9 58 85 A Y < - 0 0 58 -3,-2.3 15,-0.0 2,-0.1 -5,-0.0 -0.821 64.4-165.8-105.6 150.4 56.3 28.9 2.3 59 86 A T + 0 0 79 -2,-0.3 -1,-0.1 -7,-0.1 -3,-0.1 0.212 37.8 138.4-121.0 14.0 54.3 26.0 0.7 60 87 A Y - 0 0 24 13,-0.2 -7,-1.9 -8,-0.1 2,-0.4 -0.334 28.6-173.0 -60.3 139.0 54.3 23.5 3.5 61 88 A K E -FG 52 72A 67 11,-2.2 11,-2.7 -9,-0.2 2,-0.6 -0.997 10.7-154.8-136.4 132.6 51.1 21.6 4.0 62 89 A L E -FG 51 71A 1 -11,-2.6 -11,-2.8 -2,-0.4 2,-0.6 -0.932 7.7-168.0-110.8 115.2 50.3 19.2 6.9 63 90 A Y E -FG 50 70A 58 7,-2.9 7,-2.0 -2,-0.6 2,-0.3 -0.917 10.5-177.0-102.5 124.4 47.7 16.5 6.3 64 91 A T E +FG 49 69A 17 -15,-1.9 -15,-1.8 -2,-0.6 2,-0.3 -0.908 16.1 179.6-121.1 149.1 46.5 14.6 9.4 65 92 A K E > - G 0 68A 153 3,-2.4 3,-2.0 -2,-0.3 2,-0.3 -0.813 65.3 -60.3-146.3 102.1 44.1 11.8 9.9 66 93 A G T 3 S- 0 0 66 -2,-0.3 -1,-0.1 1,-0.3 -17,-0.0 -0.437 123.0 -9.3 60.0-117.4 43.6 10.6 13.4 67 94 A K T 3 S+ 0 0 154 -2,-0.3 18,-2.6 -3,-0.1 -1,-0.3 0.350 124.4 79.9 -95.0 5.3 47.0 9.4 14.7 68 95 A T E < +GH 65 84A 68 -3,-2.0 -3,-2.4 16,-0.2 2,-0.3 -0.720 53.3 174.2-111.9 161.8 48.8 9.6 11.3 69 96 A A E -GH 64 83A 4 14,-1.9 14,-2.4 -2,-0.3 2,-0.3 -0.983 16.6-160.4-157.4 165.3 50.2 12.5 9.3 70 97 A E E -G 63 0A 79 -7,-2.0 -7,-2.9 -2,-0.3 2,-0.5 -0.971 10.6-150.7-151.1 140.6 52.1 13.6 6.2 71 98 A L E +GH 62 80A 0 9,-2.9 8,-3.0 -2,-0.3 9,-1.9 -0.955 21.7 173.0-115.5 130.8 54.0 16.8 5.4 72 99 A V E -GH 61 78A 11 -11,-2.7 -11,-2.2 -2,-0.5 2,-0.3 -0.811 14.1-159.3-128.4 170.7 54.3 18.0 1.9 73 100 A E E > - 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