==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-APR-09 3H6J . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Y.-S.HSIAO,L.TONG . 438 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 185 42.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 40 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 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 . 3 1 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 . 2 4 2 5 3 5 4 2 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 . 2 2 2 3 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 1 A M 0 0 241 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 47.1 102.9 32.0 26.2 2 2 A N > - 0 0 91 1,-0.2 3,-1.3 2,-0.1 0, 0.0 -0.759 360.0-178.5 -92.5 95.4 101.6 28.6 27.3 3 3 A T T 3 S+ 0 0 130 -2,-1.1 -1,-0.2 1,-0.3 0, 0.0 0.579 79.1 65.5 -69.7 -8.6 98.6 29.4 29.4 4 4 A Y T 3 S+ 0 0 204 -3,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.689 74.6 103.4 -85.9 -19.6 98.1 25.7 30.0 5 5 A F < - 0 0 144 -3,-1.3 2,-0.4 1,-0.1 -3,-0.0 -0.499 63.7-151.6 -67.9 121.4 101.4 25.4 32.0 6 6 A D - 0 0 123 -2,-0.4 -2,-0.1 27,-0.0 -1,-0.1 -0.807 14.7-163.9-102.8 134.7 100.5 25.2 35.6 7 7 A I - 0 0 76 -2,-0.4 -2,-0.0 27,-0.0 2,-0.0 -0.941 20.3-156.7-113.9 105.2 102.7 26.4 38.5 8 8 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.251 2.4-146.8 -77.1 169.8 101.4 24.8 41.7 9 9 A H - 0 0 31 25,-0.1 2,-0.3 -2,-0.0 25,-0.0 -0.977 13.9-170.6-138.7 150.2 102.0 26.2 45.2 10 10 A R + 0 0 174 -2,-0.3 317,-0.0 1,-0.1 299,-0.0 -0.881 14.1 164.0-142.6 106.6 102.4 24.7 48.7 11 11 A L > + 0 0 0 -2,-0.3 3,-2.2 2,-0.1 314,-0.2 0.408 29.2 133.7-103.9 -0.3 102.4 27.1 51.6 12 12 A V T 3 S- 0 0 60 1,-0.3 314,-0.2 314,-0.1 3,-0.1 -0.320 86.8 -6.3 -55.5 120.0 101.8 24.5 54.3 13 13 A G T 3 S+ 0 0 67 312,-0.5 -1,-0.3 1,-0.2 2,-0.1 0.473 98.9 142.9 72.9 3.4 104.2 25.3 57.1 14 14 A K < + 0 0 69 -3,-2.2 311,-2.5 311,-0.2 2,-0.3 -0.455 20.9 167.3 -78.9 148.6 106.0 28.0 55.2 15 15 A A E -A 324 0A 44 309,-0.2 2,-0.6 -2,-0.1 48,-0.4 -0.994 35.4-141.8-159.5 153.8 107.3 31.2 56.8 16 16 A L E +A 323 0A 5 307,-3.0 307,-2.4 -2,-0.3 2,-0.4 -0.966 40.5 151.8-117.5 107.1 109.5 34.2 56.4 17 17 A Y + 0 0 87 -2,-0.6 305,-0.1 305,-0.2 -2,-0.1 -0.943 15.0 153.9-144.2 121.1 111.3 34.9 59.7 18 18 A E S S- 0 0 86 303,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.014 71.4 -94.3-133.4 26.2 114.7 36.6 60.2 19 19 A S S S+ 0 0 82 1,-0.2 2,-0.1 3,-0.0 303,-0.1 0.687 90.5 116.7 68.3 20.6 114.3 38.0 63.7 20 20 A Y S S- 0 0 82 301,-0.3 301,-2.9 300,-0.1 2,-0.9 -0.386 81.9 -99.8-100.3-175.5 113.1 41.4 62.5 21 21 A Y E +Bc 42 321A 4 21,-3.2 21,-0.9 299,-0.3 2,-0.5 -0.871 54.0 173.0-107.2 89.5 109.8 43.0 63.1 22 22 A D E +B 41 0A 0 299,-1.4 2,-0.3 -2,-0.9 19,-0.2 -0.901 20.4 117.6-100.1 127.2 108.3 42.1 59.7 23 23 A H E +B 40 0A 0 17,-2.1 17,-2.2 -2,-0.5 57,-0.1 -0.958 30.0 58.7-169.5-178.3 104.6 42.9 59.5 24 24 A F E S+ 0 0 18 -2,-0.3 56,-3.0 15,-0.2 108,-0.2 0.737 78.5 121.8 49.5 38.9 101.6 44.8 58.0 25 25 A G E - 0 0 0 272,-0.2 2,-0.3 54,-0.2 14,-0.3 -0.388 54.6-113.8-117.1-166.0 102.1 43.6 54.4 26 26 A Q E -B 38 0A 10 12,-2.7 12,-2.3 -2,-0.1 2,-0.4 -0.975 10.0-149.1-134.2 144.1 100.5 41.8 51.5 27 27 A M E +B 37 0A 0 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.893 31.2 150.3-108.5 140.9 101.1 38.5 49.6 28 28 A D E -B 36 0A 22 8,-1.9 8,-2.5 -2,-0.4 2,-0.4 -0.887 39.0 -99.7-153.2-175.7 100.3 38.2 45.9 29 29 A I E -B 35 0A 40 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.904 23.0-131.5-122.1 145.5 101.4 36.4 42.8 30 30 A L > - 0 0 6 4,-3.1 3,-2.0 -2,-0.4 59,-0.1 -0.433 33.6-105.1 -85.1 165.0 103.7 37.4 39.9 31 31 A S T 3 S+ 0 0 94 57,-0.3 -1,-0.1 1,-0.3 58,-0.0 0.807 122.0 56.8 -60.7 -28.9 102.8 36.9 36.3 32 32 A D T 3 S- 0 0 83 2,-0.1 -1,-0.3 56,-0.1 3,-0.1 0.444 123.8-103.6 -83.6 1.4 105.3 34.0 36.2 33 33 A G S < S+ 0 0 9 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.350 76.3 136.0 96.3 -7.1 103.5 32.2 39.0 34 34 A S - 0 0 30 -5,-0.1 -4,-3.1 1,-0.0 -1,-0.3 -0.575 50.1-131.7 -79.0 136.9 106.0 33.1 41.8 35 35 A L E -B 29 0A 0 23,-0.4 23,-2.6 -2,-0.3 2,-0.3 -0.584 29.8-179.1 -84.4 149.7 104.5 34.2 45.1 36 36 A Y E -BD 28 57A 1 -8,-2.5 -8,-1.9 21,-0.2 2,-0.4 -0.944 20.0-140.6-145.7 165.3 105.8 37.4 46.8 37 37 A L E -BD 27 56A 0 19,-2.6 19,-2.4 -2,-0.3 2,-0.5 -0.984 5.6-168.2-129.7 139.1 105.5 39.5 49.8 38 38 A I E +BD 26 55A 0 -12,-2.3 -12,-2.7 -2,-0.4 2,-0.3 -1.000 35.9 137.6-123.9 124.0 105.6 43.3 50.1 39 39 A Y E - D 0 54A 1 15,-2.1 15,-2.8 -2,-0.5 2,-0.6 -0.938 55.1 -82.6-157.0 178.0 105.8 44.4 53.7 40 40 A R E -BD 23 53A 0 -17,-2.2 -17,-2.1 -2,-0.3 2,-0.4 -0.821 37.1-167.5 -94.8 122.1 107.3 46.6 56.4 41 41 A R E +BD 22 52A 17 11,-2.7 11,-2.1 -2,-0.6 2,-0.3 -0.924 27.0 129.9-109.4 136.7 110.6 45.5 57.8 42 42 A A E -B 21 0A 0 -21,-0.9 -21,-3.2 -2,-0.4 9,-0.1 -0.911 61.9-113.1-163.6-174.7 111.9 47.1 61.0 43 43 A T S S+ 0 0 77 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.1 0.134 97.8 25.2-120.4 16.7 113.3 46.4 64.4 44 44 A E - 0 0 57 -23,-0.3 -23,-0.1 2,-0.1 275,-0.1 -0.954 61.6-139.5-164.6 169.2 110.3 47.8 66.3 45 45 A H + 0 0 68 -2,-0.3 4,-0.1 273,-0.2 3,-0.1 0.635 65.4 110.4-111.1 -23.8 106.6 48.4 65.8 46 46 A V S > S- 0 0 69 1,-0.1 3,-1.0 2,-0.1 2,-0.1 -0.121 80.8 -94.6 -55.7 147.5 106.2 51.9 67.5 47 47 A G T 3 S+ 0 0 35 1,-0.2 -1,-0.1 3,-0.1 -2,-0.1 -0.402 111.1 31.9 -63.9 137.2 105.5 54.9 65.3 48 48 A G T 3 S+ 0 0 40 28,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.659 93.0 120.3 89.8 16.1 108.7 56.7 64.3 49 49 A S S < S- 0 0 26 -3,-1.0 -1,-0.1 -4,-0.1 25,-0.1 0.171 80.8 -68.8 -90.6-146.1 110.9 53.6 64.3 50 50 A D + 0 0 56 26,-0.1 2,-0.2 -6,-0.1 26,-0.1 -0.206 64.8 160.5-107.8 45.3 112.9 52.2 61.4 51 51 A G + 0 0 3 -9,-0.1 26,-2.1 -2,-0.1 2,-0.3 -0.428 9.7 174.6 -71.5 131.6 110.2 50.9 59.0 52 52 A R E -D 41 0A 38 -11,-2.1 -11,-2.7 -2,-0.2 2,-0.5 -0.977 33.4-115.0-133.6 148.7 111.2 50.4 55.4 53 53 A V E +DE 40 70A 1 17,-2.2 16,-2.8 -2,-0.3 17,-1.7 -0.724 42.8 177.9 -84.4 126.2 109.1 48.9 52.5 54 54 A V E -DE 39 68A 0 -15,-2.8 -15,-2.1 -2,-0.5 2,-0.4 -0.884 22.7-144.4-131.3 164.0 110.6 45.6 51.3 55 55 A F E -DE 38 67A 7 12,-2.4 12,-3.2 -2,-0.3 2,-0.4 -0.987 14.2-176.3-128.5 132.3 109.9 42.9 48.7 56 56 A S E -D 37 0A 0 -19,-2.4 -19,-2.6 -2,-0.4 2,-0.4 -0.994 11.4-151.4-131.6 139.5 110.6 39.1 49.1 57 57 A K E -D 36 0A 46 -2,-0.4 7,-2.8 -21,-0.2 2,-0.8 -0.894 17.4-128.8-111.4 135.9 110.1 36.4 46.5 58 58 A L E +H 63 0B 22 -23,-2.6 2,-0.4 -2,-0.4 -23,-0.4 -0.753 37.9 169.9 -86.9 109.6 109.4 32.7 47.4 59 59 A E E > -H 62 0B 104 3,-2.3 3,-1.9 -2,-0.8 -2,-0.0 -0.981 65.0 -12.3-125.1 126.4 111.9 30.6 45.5 60 60 A G T 3 S- 0 0 85 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.831 128.2 -56.2 56.6 31.5 112.4 26.9 46.0 61 61 A G T 3 S+ 0 0 25 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.558 120.3 101.0 79.5 7.2 110.4 27.1 49.2 62 62 A I E < S-H 59 0B 123 -3,-1.9 -3,-2.3 -48,-0.1 2,-0.3 -0.988 74.1-121.0-129.9 132.2 112.5 29.8 50.7 63 63 A W E -H 58 0B 21 -2,-0.4 -5,-0.2 -48,-0.4 -46,-0.1 -0.530 36.9-122.6 -70.7 128.0 111.8 33.5 50.9 64 64 A S - 0 0 26 -7,-2.8 3,-0.1 -2,-0.3 -1,-0.1 -0.173 36.3 -78.7 -69.0 161.6 114.6 35.5 49.2 65 65 A A - 0 0 83 1,-0.1 -1,-0.2 -9,-0.1 -8,-0.1 -0.454 67.0-101.0 -60.2 121.4 116.7 38.2 50.8 66 66 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 -10,-0.2 -0.106 27.7-137.9 -51.4 138.6 114.4 41.2 50.7 67 67 A T E -E 55 0A 51 -12,-3.2 -12,-2.4 -3,-0.1 2,-0.5 -0.823 25.7-115.3 -96.6 136.7 114.8 43.9 48.1 68 68 A I E +E 54 0A 81 -2,-0.4 -14,-0.2 -14,-0.2 46,-0.2 -0.636 36.8 172.4 -77.6 120.0 114.5 47.4 49.4 69 69 A V E S+ 0 0 14 -16,-2.8 2,-0.4 -2,-0.5 -15,-0.2 0.887 70.6 1.9 -90.1 -50.6 111.4 49.1 47.8 70 70 A A E +E 53 0A 6 -17,-1.7 -17,-2.2 35,-0.1 -1,-0.3 -0.986 69.5 155.9-144.6 129.7 111.4 52.3 49.8 71 71 A Q + 0 0 119 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.1 -0.984 5.4 167.5-154.8 140.9 113.7 53.6 52.5 72 72 A A > - 0 0 34 3,-0.4 3,-2.1 -2,-0.3 2,-0.1 -0.919 38.9-109.9-158.0 127.9 114.7 57.0 53.9 73 73 A G T 3 S+ 0 0 85 -2,-0.3 3,-0.1 1,-0.3 -23,-0.0 -0.368 105.4 16.6 -61.3 130.2 116.7 57.9 57.0 74 74 A G T 3 S+ 0 0 71 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.300 105.3 104.8 91.0 -10.0 114.5 59.5 59.6 75 75 A Q < - 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