==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-NOV-08 2W38 . COMPND 2 MOLECULE: SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR G.XU,C.RYAN,M.J.KIEFEL,J.C.WILSON,G.L.TAYLOR . 432 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 64.8 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 . 183 42.4 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 . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 . 37 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 6 3 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 7 A I 0 0 180 0, 0.0 26,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -53.5 24.6 24.0 -35.9 2 8 A P - 0 0 116 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.414 360.0-157.9 -71.4 160.3 21.7 24.9 -38.2 3 9 A H - 0 0 36 25,-0.0 2,-0.3 -2,-0.0 25,-0.0 -0.967 16.9-168.9-136.0 151.3 18.2 24.3 -36.8 4 10 A R + 0 0 172 -2,-0.3 317,-0.1 1,-0.1 299,-0.0 -0.871 15.3 162.7-142.3 109.1 14.8 23.8 -38.2 5 11 A L > + 0 0 0 -2,-0.3 3,-2.1 2,-0.1 314,-0.2 0.393 30.2 131.8-105.8 0.6 11.8 23.9 -35.8 6 12 A V T 3 S- 0 0 57 1,-0.3 314,-0.2 314,-0.1 -2,-0.0 -0.363 87.1 -4.7 -58.1 122.7 9.0 24.5 -38.4 7 13 A G T 3 S+ 0 0 65 312,-0.5 -1,-0.3 1,-0.2 2,-0.1 0.476 97.4 143.7 76.8 2.2 6.2 22.0 -37.7 8 14 A K < + 0 0 69 -3,-2.1 311,-2.5 311,-0.2 2,-0.3 -0.474 21.8 172.3 -81.5 148.2 8.2 20.2 -34.9 9 15 A A E -A 318 0A 44 309,-0.2 2,-0.6 -2,-0.1 48,-0.3 -0.994 33.7-147.6-152.5 146.0 6.3 18.9 -31.9 10 16 A L E +A 317 0A 6 307,-3.0 307,-2.3 -2,-0.3 2,-0.4 -0.955 41.9 149.6-107.2 106.8 6.8 16.8 -28.8 11 17 A Y + 0 0 84 -2,-0.6 305,-0.1 305,-0.2 -2,-0.1 -0.948 16.5 152.5-145.8 120.1 3.4 15.1 -28.2 12 18 A E S S- 0 0 90 303,-0.4 3,-0.1 -2,-0.4 -1,-0.1 -0.013 72.1 -95.5-133.8 27.5 2.8 11.7 -26.5 13 19 A S S S+ 0 0 80 1,-0.2 2,-0.1 3,-0.0 303,-0.1 0.740 89.6 121.5 58.8 22.3 -0.7 12.3 -25.1 14 20 A Y S S- 0 0 81 301,-0.3 301,-2.7 300,-0.0 2,-0.8 -0.391 80.4-101.6 -86.5-178.3 0.7 13.2 -21.7 15 21 A Y E +Bc 36 315A 4 21,-3.3 21,-1.1 299,-0.3 2,-0.5 -0.853 54.4 173.1-101.0 90.4 -0.1 16.6 -20.1 16 22 A D E +B 35 0A 1 299,-1.3 2,-0.3 -2,-0.8 19,-0.2 -0.889 19.9 117.8-101.4 125.0 3.3 18.1 -21.0 17 23 A H E +B 34 0A 0 17,-2.1 17,-2.2 -2,-0.5 57,-0.1 -0.940 30.6 57.7-166.5 174.9 3.5 21.8 -20.2 18 24 A F E S+ 0 0 18 -2,-0.3 56,-2.9 15,-0.2 108,-0.2 0.689 78.5 120.6 63.1 32.5 5.0 24.7 -18.3 19 25 A G E - 0 0 0 272,-0.3 2,-0.4 54,-0.2 14,-0.3 -0.381 55.0-111.0-123.4-168.2 8.7 24.3 -19.4 20 26 A Q E -B 32 0A 10 12,-2.7 12,-2.6 -2,-0.1 2,-0.4 -0.975 10.6-149.0-132.4 139.0 11.7 25.8 -21.2 21 27 A M E +B 31 0A 0 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.894 31.9 152.3 -99.9 138.8 13.5 25.2 -24.4 22 28 A D E -B 30 0A 22 8,-2.0 8,-2.6 -2,-0.4 2,-0.4 -0.840 38.3-102.7-147.8-169.8 17.2 25.9 -24.5 23 29 A I E -B 29 0A 43 -2,-0.2 6,-0.2 6,-0.2 2,-0.1 -0.953 23.6-132.4-129.2 140.6 20.3 24.8 -26.4 24 30 A L > - 0 0 5 4,-3.5 3,-2.4 -2,-0.4 59,-0.1 -0.396 33.4-102.5 -84.7 166.2 23.2 22.5 -25.3 25 31 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 57,-0.3 58,-0.0 0.864 123.7 56.4 -55.0 -38.9 27.0 23.2 -25.7 26 32 A D T 3 S- 0 0 100 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.263 124.4-103.4 -81.7 12.0 27.0 20.8 -28.7 27 33 A G S < S+ 0 0 18 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.390 75.9 140.2 85.7 -3.3 24.2 22.8 -30.4 28 34 A S - 0 0 27 -5,-0.1 -4,-3.5 1,-0.1 -1,-0.3 -0.558 48.4-132.9 -75.4 131.6 21.4 20.4 -29.6 29 35 A L E +B 23 0A 0 23,-0.4 23,-2.8 -2,-0.3 2,-0.3 -0.580 30.0 179.5 -78.6 147.5 18.1 21.8 -28.6 30 36 A Y E -BD 22 51A 1 -8,-2.6 -8,-2.0 21,-0.2 2,-0.4 -0.953 20.4-141.7-144.2 165.5 16.4 20.5 -25.5 31 37 A L E -BD 21 50A 0 19,-2.8 19,-2.4 -2,-0.3 2,-0.4 -0.982 5.7-167.7-126.4 139.5 13.2 20.9 -23.4 32 38 A I E +BD 20 49A 0 -12,-2.6 -12,-2.7 -2,-0.4 2,-0.3 -0.999 34.5 139.1-123.0 129.7 12.8 20.7 -19.6 33 39 A Y E - D 0 48A 2 15,-2.2 15,-2.6 -2,-0.4 2,-0.6 -0.964 55.3 -83.5-161.2 170.4 9.2 20.6 -18.5 34 40 A R E -BD 17 47A 0 -17,-2.2 -17,-2.1 -2,-0.3 2,-0.5 -0.795 37.4-165.4 -90.4 120.0 6.5 19.1 -16.3 35 41 A R E +BD 16 46A 16 11,-2.7 11,-2.3 -2,-0.6 2,-0.3 -0.935 27.1 137.4-104.7 134.1 5.2 15.8 -17.5 36 42 A A E -B 15 0A 0 -21,-1.1 -21,-3.3 -2,-0.5 9,-0.1 -0.870 59.4-119.6-153.6-177.8 1.9 14.7 -16.0 37 43 A T S S+ 0 0 77 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.1 0.143 97.7 23.9-119.2 15.3 -1.4 13.1 -16.7 38 44 A E - 0 0 58 -23,-0.3 -1,-0.1 2,-0.1 -23,-0.1 -0.963 61.5-139.4-162.8 165.7 -3.4 16.1 -15.4 39 45 A H + 0 0 67 -2,-0.3 4,-0.1 273,-0.3 3,-0.1 0.651 66.9 111.7-101.8 -23.1 -2.9 19.8 -14.8 40 46 A V S > S- 0 0 68 1,-0.1 3,-1.1 2,-0.1 -2,-0.1 -0.111 79.5 -97.6 -56.8 145.2 -4.7 20.1 -11.4 41 47 A G T 3 S+ 0 0 33 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.350 109.8 30.0 -59.3 142.8 -2.6 20.8 -8.4 42 48 A G T 3 S+ 0 0 42 28,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.672 95.2 118.5 77.3 18.0 -1.7 17.8 -6.4 43 49 A S S < S- 0 0 26 -3,-1.1 -1,-0.1 -4,-0.1 25,-0.1 0.173 82.1 -65.6 -91.4-144.1 -1.6 15.5 -9.5 44 50 A D + 0 0 51 26,-0.1 26,-0.1 -6,-0.1 2,-0.1 -0.070 62.9 162.1-108.5 37.8 1.4 13.6 -10.9 45 51 A G + 0 0 1 -9,-0.1 26,-2.1 26,-0.1 21,-0.4 -0.330 8.6 175.7 -61.8 128.1 3.9 16.2 -12.1 46 52 A R E -D 35 0A 30 -11,-2.3 -11,-2.7 24,-0.2 2,-0.5 -0.965 32.7-119.1-125.7 144.7 7.5 15.0 -12.6 47 53 A V E +DE 34 64A 0 17,-2.6 16,-3.4 -2,-0.3 17,-1.7 -0.754 42.1 178.5 -82.8 127.7 10.3 17.2 -14.1 48 54 A V E -DE 33 62A 0 -15,-2.6 -15,-2.2 -2,-0.5 2,-0.4 -0.885 22.3-145.8-132.2 159.8 11.6 15.7 -17.3 49 55 A F E -DE 32 61A 6 12,-2.3 12,-2.9 -2,-0.3 2,-0.4 -0.990 14.0-177.6-126.0 134.0 14.2 16.4 -20.0 50 56 A S E -D 31 0A 0 -19,-2.4 -19,-2.8 -2,-0.4 2,-0.4 -0.994 12.0-150.9-131.7 139.4 14.0 15.7 -23.7 51 57 A K E -D 30 0A 38 -2,-0.4 7,-2.6 -21,-0.2 2,-0.7 -0.905 16.9-127.8-109.6 139.8 16.6 16.3 -26.4 52 58 A L E +H 57 0B 20 -23,-2.8 2,-0.4 -2,-0.4 -23,-0.4 -0.768 39.8 166.3 -87.8 114.5 15.9 17.0 -30.1 53 59 A E E > -H 56 0B 102 3,-2.3 3,-1.9 -2,-0.7 -2,-0.0 -0.994 65.6 -9.0-135.1 123.2 18.0 14.6 -32.1 54 60 A G T 3 S- 0 0 85 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.780 128.1 -58.4 59.7 25.5 17.6 13.8 -35.8 55 61 A G T 3 S+ 0 0 25 1,-0.2 2,-0.5 -47,-0.0 -1,-0.3 0.547 118.6 109.4 81.8 6.9 14.4 15.9 -35.7 56 62 A I E < S-H 53 0B 125 -3,-1.9 -3,-2.3 -48,-0.1 2,-0.3 -0.966 70.2-127.8-122.7 123.8 12.9 13.6 -33.1 57 63 A W E -H 52 0B 23 -2,-0.5 -5,-0.2 -48,-0.3 -27,-0.1 -0.568 37.6-118.3 -68.3 127.8 12.3 14.5 -29.4 58 64 A S - 0 0 21 -7,-2.6 -1,-0.1 -2,-0.3 3,-0.1 -0.209 30.5 -89.9 -67.8 151.8 14.0 11.9 -27.3 59 65 A A - 0 0 85 1,-0.1 -8,-0.1 -9,-0.1 -1,-0.1 -0.506 66.6-102.9 -54.4 123.6 12.1 9.7 -24.8 60 66 A P - 0 0 29 0, 0.0 2,-0.4 0, 0.0 -10,-0.2 -0.161 23.5-133.0 -63.4 145.0 12.4 12.0 -21.7 61 67 A T E -E 49 0A 49 -12,-2.9 -12,-2.3 -3,-0.1 2,-0.5 -0.778 27.4-117.2 -89.0 138.7 14.8 11.5 -18.8 62 68 A I E +E 48 0A 86 -2,-0.4 -14,-0.3 -14,-0.2 46,-0.2 -0.675 33.2 176.8 -77.9 123.9 13.3 11.9 -15.4 63 69 A V E - 0 0 14 -16,-3.4 2,-0.3 -2,-0.5 -15,-0.2 0.846 69.7 -8.9 -93.7 -43.1 14.8 14.8 -13.6 64 70 A A E +E 47 0A 8 -17,-1.7 -17,-2.6 35,-0.1 -1,-0.3 -0.934 65.7 162.6-161.5 129.7 12.7 14.7 -10.4 65 71 A Q + 0 0 117 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.1 -0.993 6.0 178.3-149.4 141.3 9.7 12.7 -9.4 66 72 A A > - 0 0 29 3,-0.5 3,-4.3 -21,-0.4 2,-0.2 -0.885 29.6-108.8-149.3 122.0 8.1 11.9 -6.0 67 73 A G T 3 S+ 0 0 80 1,-0.4 3,-0.1 -2,-0.3 -2,-0.0 -0.622 101.9 8.6 -76.7 149.6 5.0 10.1 -5.1 68 74 A G T 3 S+ 0 0 75 -2,-0.2 -1,-0.4 -25,-0.1 2,-0.3 -0.152 108.3 97.4-104.2 76.3 2.8 11.5 -4.2 69 75 A Q < - 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