==== 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 22-JAN-10 2X3B . COMPND 2 MOLECULE: TOXIC EXTRACELLULAR ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS SALMONICIDA SUBSP. ACHROMOGE . AUTHOR X.BOGDANOVIC,G.J.PALM,R.K.SINGH,W.HINRICHS . 585 6 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 42 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 2 2 0 2 0 2 2 2 0 0 0 0 0 0 0 0 2 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 4 2 2 3 0 5 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 . 1 2 3 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 G 0 0 64 0, 0.0 24,-1.3 0, 0.0 25,-1.0 0.000 360.0 360.0 360.0-147.6 -5.3 -5.0 3.3 2 24 A L E -A 24 0A 25 22,-0.2 2,-0.5 23,-0.1 22,-0.2 -0.872 360.0-160.2-105.6 125.0 -6.7 -8.5 2.2 3 25 A D E -A 23 0A 80 20,-3.2 20,-3.2 -2,-0.5 2,-0.4 -0.877 12.2-179.6-108.0 131.9 -8.0 -10.9 4.8 4 26 A A E -A 22 0A 19 -2,-0.5 2,-0.4 18,-0.2 110,-0.3 -0.985 11.8-176.5-132.9 137.5 -8.3 -14.6 4.1 5 27 A Q E -A 21 0A 97 16,-1.6 16,-2.0 -2,-0.4 2,-0.5 -0.986 8.1-163.0-134.2 126.0 -9.5 -17.6 6.1 6 28 A L E +A 20 0A 1 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.925 16.8 172.9-107.5 129.0 -9.3 -21.2 4.8 7 29 A T E -A 19 0A 71 12,-2.4 12,-3.1 -2,-0.5 2,-0.5 -0.942 32.4-111.7-135.1 156.0 -11.4 -23.8 6.5 8 30 A L E -A 18 0A 67 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.753 27.7-131.6 -90.4 128.4 -12.3 -27.4 6.0 9 31 A V - 0 0 45 8,-2.6 8,-0.4 -2,-0.5 2,-0.2 -0.685 23.9-129.2 -78.2 124.4 -15.9 -28.2 5.0 10 32 A D + 0 0 150 -2,-0.5 2,-0.3 6,-0.1 -1,-0.0 -0.486 43.9 142.0 -71.1 144.3 -17.3 -31.1 7.2 11 33 A G - 0 0 59 -2,-0.2 2,-0.4 2,-0.2 6,-0.0 -0.951 61.5-107.8-175.0 160.6 -18.9 -34.0 5.4 12 34 A S S S+ 0 0 131 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.216 89.3 94.2 -89.8 42.7 -19.4 -37.8 5.3 13 35 A T S S- 0 0 76 -2,-0.4 -2,-0.2 2,-0.2 127,-0.0 -0.859 81.3-125.5-131.9 163.4 -17.1 -38.0 2.3 14 36 A D S S+ 0 0 88 -2,-0.3 126,-0.2 2,-0.1 108,-0.1 0.447 77.5 117.8 -85.7 -4.2 -13.5 -38.7 1.4 15 37 A D - 0 0 51 125,-0.1 2,-0.6 124,-0.1 -2,-0.2 -0.253 63.7-140.7 -59.4 148.7 -13.6 -35.4 -0.5 16 38 A V + 0 0 0 2,-0.0 71,-2.6 -8,-0.0 2,-0.5 -0.771 30.6 173.4-113.3 81.4 -11.4 -32.6 0.6 17 39 A R E - B 0 86A 104 -2,-0.6 -8,-2.6 -8,-0.4 2,-0.3 -0.803 11.0-163.7 -94.4 127.3 -13.6 -29.6 0.2 18 40 A V E -AB 8 85A 2 67,-3.2 67,-2.0 -2,-0.5 2,-0.5 -0.771 9.8-145.8-110.2 154.4 -12.3 -26.2 1.4 19 41 A N E -AB 7 84A 34 -12,-3.1 -12,-2.4 -2,-0.3 2,-0.4 -0.983 13.5-165.3-121.0 126.4 -14.0 -23.0 2.1 20 42 A L E -AB 6 83A 2 63,-3.0 63,-2.1 -2,-0.5 2,-0.5 -0.938 6.5-170.0-114.3 134.3 -12.3 -19.6 1.5 21 43 A T E -AB 5 82A 41 -16,-2.0 -16,-1.6 -2,-0.4 2,-0.5 -0.970 5.5-172.2-122.7 114.2 -13.4 -16.2 2.9 22 44 A L E -AB 4 81A 2 59,-3.0 59,-3.0 -2,-0.5 2,-0.4 -0.932 8.5-176.6-107.5 122.2 -11.7 -13.2 1.4 23 45 A T E -AB 3 80A 36 -20,-3.2 -20,-3.2 -2,-0.5 2,-1.0 -0.967 26.6-139.2-125.6 134.7 -12.5 -9.9 3.1 24 46 A N E +A 2 0A 2 55,-2.7 54,-2.2 -2,-0.4 -22,-0.2 -0.815 29.5 166.0 -87.2 100.2 -11.4 -6.3 2.3 25 47 A T + 0 0 94 -24,-1.3 -1,-0.2 -2,-1.0 -23,-0.1 0.534 46.4 101.2 -89.6 -9.2 -10.7 -4.9 5.7 26 48 A G S S- 0 0 25 -25,-1.0 52,-0.2 2,-0.2 4,-0.1 0.086 84.4-106.9 -77.2-176.1 -8.9 -1.9 4.2 27 49 A D S S+ 0 0 156 50,-0.1 50,-0.1 2,-0.1 -1,-0.1 0.666 96.1 40.6 -86.4 -22.0 -9.7 1.7 3.5 28 50 A K S S- 0 0 155 48,-0.1 -2,-0.2 1,-0.1 2,-0.1 -0.790 92.0 -87.1-126.0 164.3 -10.0 1.4 -0.3 29 51 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 47,-0.2 -0.398 40.3-152.9 -67.3 151.9 -11.4 -1.0 -2.9 30 52 A I E -C 75 0B 37 45,-2.7 45,-2.0 -2,-0.1 2,-0.5 -0.994 5.9-142.6-132.1 137.7 -9.1 -3.9 -4.1 31 53 A R E -C 74 0B 125 -2,-0.4 78,-0.6 43,-0.2 2,-0.4 -0.856 16.4-162.2-101.5 127.9 -9.0 -5.8 -7.4 32 54 A L E -CD 73 108B 4 41,-3.2 41,-3.9 -2,-0.5 2,-0.3 -0.919 28.2-107.8-114.7 135.2 -8.3 -9.5 -7.3 33 55 A L E > -C 72 0B 8 74,-2.0 3,-1.3 -2,-0.4 39,-0.2 -0.407 27.4-146.1 -61.6 118.9 -7.2 -11.7 -10.3 34 56 A K G > S+ 0 0 92 37,-3.1 3,-1.6 1,-0.3 -1,-0.1 0.859 95.8 50.9 -61.8 -42.4 -10.2 -13.9 -11.2 35 57 A W G 3 S+ 0 0 33 36,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.560 104.4 61.8 -75.1 -5.0 -8.3 -16.9 -12.4 36 58 A Q G < S+ 0 0 37 -3,-1.3 -1,-0.3 71,-0.1 -2,-0.2 0.284 88.1 86.6 -97.1 7.6 -6.3 -16.7 -9.1 37 59 A L S < S- 0 0 23 -3,-1.6 2,-0.5 -5,-0.1 68,-0.1 -0.925 91.9-109.1-106.7 133.2 -9.6 -17.2 -7.1 38 60 A P + 0 0 5 0, 0.0 -18,-0.1 0, 0.0 2,-0.1 -0.454 62.7 130.4 -71.4 112.8 -10.6 -20.9 -6.5 39 61 A G S S- 0 0 30 -2,-0.5 47,-0.2 2,-0.4 4,-0.1 -0.188 72.9 -62.5-126.6-137.7 -13.6 -21.7 -8.6 40 62 A S S S+ 0 0 104 -2,-0.1 2,-0.1 45,-0.1 45,-0.0 0.631 104.7 83.6 -96.2 -21.1 -14.7 -24.5 -10.9 41 63 A D S S- 0 0 67 1,-0.1 2,-0.4 0, 0.0 -2,-0.4 -0.347 91.7 -90.7 -77.9 166.3 -12.0 -23.9 -13.6 42 64 A D + 0 0 27 -2,-0.1 -1,-0.1 -4,-0.1 20,-0.1 -0.680 58.3 141.4 -87.6 128.7 -8.5 -25.4 -13.3 43 65 A A - 0 0 9 -2,-0.4 2,-1.8 -4,-0.1 3,-0.1 -0.941 54.5-119.0-159.6 143.5 -5.7 -23.4 -11.5 44 66 A P + 0 0 49 0, 0.0 13,-0.1 0, 0.0 -2,-0.1 -0.453 57.4 143.9 -84.8 67.3 -2.9 -24.4 -9.2 45 67 A L + 0 0 12 -2,-1.8 59,-3.7 58,-0.1 2,-0.3 0.346 48.7 69.4 -90.7 2.6 -4.1 -22.3 -6.3 46 68 A F E -E 103 0C 8 57,-0.2 2,-0.6 -3,-0.1 57,-0.2 -0.910 63.6-145.5-125.2 150.3 -3.2 -24.6 -3.4 47 69 A L E -E 102 0C 64 55,-2.3 55,-1.9 -2,-0.3 2,-0.4 -0.969 29.3-174.8-109.9 109.7 0.0 -25.9 -1.8 48 70 A V E -E 101 0C 3 -2,-0.6 7,-3.4 7,-0.5 2,-0.4 -0.908 4.7-176.4-111.4 134.1 -0.7 -29.4 -0.8 49 71 A E E -EF 100 54C 53 51,-2.1 51,-2.3 -2,-0.4 2,-0.5 -0.971 16.7-154.4-129.6 143.3 1.7 -31.6 1.2 50 72 A R E > S-EF 99 53C 80 3,-3.5 3,-2.0 -2,-0.4 49,-0.2 -0.987 88.8 -16.9-116.1 119.3 1.6 -35.2 2.4 51 73 A D T 3 S- 0 0 110 47,-2.7 -1,-0.1 -2,-0.5 48,-0.1 0.861 131.7 -52.1 50.5 39.7 3.7 -35.8 5.5 52 74 A G T 3 S+ 0 0 48 46,-0.3 -1,-0.3 1,-0.2 47,-0.1 0.361 116.5 115.8 83.1 -4.4 5.5 -32.5 4.8 53 75 A Q E < S-F 50 0C 135 -3,-2.0 -3,-3.5 1,-0.0 -1,-0.2 -0.855 72.1-108.5-101.8 131.7 6.3 -33.4 1.2 54 76 A P E -F 49 0C 90 0, 0.0 2,-0.5 0, 0.0 -5,-0.3 -0.262 23.9-142.0 -61.4 138.8 4.7 -31.4 -1.7 55 77 A V - 0 0 16 -7,-3.4 -7,-0.5 1,-0.0 38,-0.1 -0.913 25.8-115.1-106.0 124.9 1.9 -33.0 -3.8 56 78 A S - 0 0 82 -2,-0.5 36,-0.8 1,-0.1 2,-0.2 -0.230 23.0-114.9 -64.7 141.2 2.0 -32.2 -7.5 57 79 A Y B -H 91 0D 29 34,-0.2 34,-0.2 1,-0.1 -1,-0.1 -0.499 28.6-178.4 -68.9 141.9 -0.7 -30.2 -9.2 58 80 A E + 0 0 62 32,-2.9 457,-0.3 -2,-0.2 78,-0.2 0.574 46.4 99.6-118.9 -19.1 -2.6 -32.2 -11.9 59 81 A G S S- 0 0 3 31,-0.8 456,-0.1 1,-0.2 453,-0.1 0.093 84.8 -65.0 -64.1 179.2 -5.1 -29.7 -13.3 60 82 A A - 0 0 6 453,-0.2 2,-0.4 454,-0.1 453,-0.2 -0.330 37.4-149.1 -65.3 145.4 -4.7 -27.8 -16.5 61 83 A L E -I 512 0E 9 451,-2.5 451,-1.9 -3,-0.1 2,-0.4 -0.979 23.8-155.7-111.8 135.8 -2.0 -25.2 -17.0 62 84 A I E -I 511 0E 9 -2,-0.4 2,-0.8 449,-0.2 449,-0.2 -0.922 19.6-140.0-125.1 131.5 -3.1 -22.5 -19.3 63 85 A K E +I 510 0E 1 447,-2.7 446,-2.2 -2,-0.4 447,-0.9 -0.815 38.3 167.3 -86.1 109.6 -1.4 -20.0 -21.7 64 86 A R - 0 0 37 -2,-0.8 496,-0.2 444,-0.2 2,-0.1 -0.822 37.2-104.3-115.1 159.8 -3.3 -16.7 -21.3 65 87 A A - 0 0 58 -2,-0.3 3,-0.1 1,-0.2 494,-0.1 -0.354 61.1 -68.6 -70.1 160.9 -2.6 -13.1 -22.4 66 88 A A - 0 0 43 1,-0.1 -1,-0.2 -2,-0.1 2,-0.1 -0.261 67.6 -92.3 -51.1 134.9 -1.4 -10.6 -19.8 67 89 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.345 47.5-168.2 -58.5 121.7 -4.3 -9.8 -17.4 68 90 A T > - 0 0 71 -2,-0.1 3,-2.0 -3,-0.1 4,-0.1 -0.473 43.0 -82.9 -98.8 177.1 -6.4 -6.8 -18.5 69 91 A D G > S+ 0 0 113 1,-0.3 3,-2.0 -2,-0.2 -1,-0.0 0.865 125.5 61.7 -45.6 -50.4 -9.0 -4.9 -16.4 70 92 A K G 3 S+ 0 0 150 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.697 93.9 65.6 -49.3 -26.5 -11.7 -7.4 -17.3 71 93 A D G < S+ 0 0 33 -3,-2.0 -37,-3.1 2,-0.1 2,-0.4 0.410 86.1 91.4 -84.5 2.3 -9.8 -10.1 -15.5 72 94 A F E < -C 33 0B 30 -3,-2.0 2,-0.4 -39,-0.2 -39,-0.2 -0.850 64.1-143.9-112.7 134.9 -10.1 -8.6 -12.1 73 95 A Q E -C 32 0B 74 -41,-3.9 -41,-3.2 -2,-0.4 2,-0.3 -0.785 23.7-130.2 -92.8 131.2 -12.8 -9.1 -9.4 74 96 A L E -C 31 0B 87 -2,-0.4 2,-0.4 -43,-0.2 -43,-0.2 -0.629 20.4-173.5 -84.6 135.6 -13.7 -6.1 -7.3 75 97 A L E -C 30 0B 6 -45,-2.0 -45,-2.7 -2,-0.3 3,-0.1 -0.955 15.5-153.6-124.9 113.8 -13.8 -6.1 -3.5 76 98 A K > - 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