==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-DEC-08 2ZWS . COMPND 2 MOLECULE: NEUTRAL CERAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Y.KAKUTA,N.OKINO,T.INOUE,H.OKANO,M.ITO . 630 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 21.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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-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 . 2 0.3 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 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 1 2 0 0 0 0 0 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 0 3 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 6 4 1 1 2 3 1 3 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 . 6 0 1 0 2 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 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 D 0 0 210 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -75.6 -39.3 27.7 24.2 2 2 A D - 0 0 129 0, 0.0 48,-0.0 0, 0.0 0, 0.0 0.239 360.0 -28.3-133.8-109.2 -38.4 26.1 21.9 3 3 A L - 0 0 38 1,-0.1 142,-0.1 -2,-0.1 187,-0.0 -0.132 39.2-140.1 -68.3 141.2 -37.5 23.1 19.7 4 4 A P S S+ 0 0 40 0, 0.0 46,-2.4 0, 0.0 47,-0.4 0.755 76.5 21.7 -71.8 -26.9 -36.5 19.8 21.3 5 5 A Y E -AB 49 144A 2 139,-1.6 139,-2.4 44,-0.2 2,-0.4 -0.849 57.7-143.1-133.1 163.7 -33.6 18.8 18.9 6 6 A R E -AB 48 143A 82 42,-2.2 42,-2.9 -2,-0.3 2,-0.3 -0.965 25.9-174.1-116.9 147.6 -31.2 20.1 16.4 7 7 A F E -AB 47 142A 0 135,-2.8 135,-2.1 -2,-0.4 2,-0.4 -0.975 12.9-160.2-136.2 158.0 -30.4 17.9 13.4 8 8 A G E -A 46 0A 0 38,-2.2 38,-2.8 -2,-0.3 2,-0.5 -0.998 6.4-158.8-136.7 134.9 -28.0 18.2 10.5 9 9 A L E +A 45 0A 14 -2,-0.4 2,-0.3 131,-0.3 36,-0.2 -0.963 17.9 167.5-117.9 129.9 -28.3 16.3 7.2 10 10 A G E -A 44 0A 3 34,-2.3 34,-2.6 -2,-0.5 2,-0.4 -0.965 15.1-167.0-140.8 152.2 -25.3 15.7 4.9 11 11 A K E +A 43 0A 50 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.999 10.1 176.8-141.6 138.6 -24.5 13.6 1.8 12 12 A A E -A 42 0A 0 30,-2.3 30,-2.7 -2,-0.4 2,-0.3 -0.997 34.1-101.1-147.6 151.5 -21.1 12.8 0.2 13 13 A D E +A 41 0A 1 -2,-0.3 28,-0.2 28,-0.2 119,-0.1 -0.503 34.0 167.4 -75.0 125.2 -19.8 10.7 -2.6 14 14 A I + 0 0 1 26,-2.8 2,-0.2 -2,-0.3 27,-0.2 0.035 26.3 144.8-121.8 22.0 -18.3 7.3 -1.7 15 15 A T - 0 0 1 25,-0.6 3,-0.1 110,-0.1 24,-0.1 -0.431 31.2-161.7 -68.0 132.2 -18.1 5.8 -5.3 16 16 A G - 0 0 2 1,-0.2 2,-0.2 -2,-0.2 106,-0.1 0.050 44.3 -22.6 -98.7-152.1 -15.1 3.7 -5.8 17 17 A E - 0 0 14 86,-0.2 -1,-0.2 1,-0.1 4,-0.2 -0.350 52.0-160.0 -69.4 121.7 -13.2 2.4 -8.9 18 18 A A + 0 0 2 517,-0.2 17,-1.3 -2,-0.2 2,-0.3 0.492 68.6 40.5 -88.4 -5.5 -15.5 2.4 -11.9 19 19 A A E S+J 34 0B 0 15,-0.2 15,-0.2 1,-0.1 -1,-0.1 -0.990 111.2 6.5-142.8 142.5 -13.6 -0.1 -14.1 20 20 A E E S+ 0 0 58 13,-2.5 2,-0.4 -2,-0.3 14,-0.1 0.776 86.4 115.4 70.2 35.1 -11.8 -3.3 -13.6 21 21 A V E S- 0 0 0 -4,-0.2 12,-2.6 12,-0.1 -1,-0.2 -0.997 70.7-110.2-127.5 132.3 -12.5 -4.1 -9.9 22 22 A G E -J 32 0B 3 -2,-0.4 81,-3.2 93,-0.3 10,-0.3 -0.279 38.5-118.0 -53.0 137.2 -14.6 -7.1 -8.8 23 23 A M E -K 102 0C 0 8,-2.8 2,-0.5 79,-0.3 5,-0.4 -0.492 23.2-116.0 -82.5 152.4 -18.0 -6.1 -7.4 24 24 A M E S+K 101 0C 15 77,-2.9 77,-0.5 1,-0.2 -1,-0.1 -0.775 86.0 30.4 -97.6 122.7 -19.0 -6.8 -3.8 25 25 A G S S+ 0 0 20 -2,-0.5 -1,-0.2 86,-0.1 75,-0.1 -0.195 103.6 63.0 136.1 -44.6 -21.9 -9.1 -3.0 26 26 A Y S S- 0 0 55 73,-0.3 -2,-0.1 -3,-0.2 184,-0.1 0.476 87.8-135.0 -93.3 -3.3 -22.1 -11.8 -5.7 27 27 A S + 0 0 72 -4,-0.3 2,-0.5 1,-0.2 -3,-0.1 0.820 51.2 152.1 56.0 37.1 -18.7 -13.4 -5.1 28 28 A S > - 0 0 18 -5,-0.4 3,-0.8 3,-0.1 -5,-0.2 -0.849 46.2-161.5-106.4 130.1 -18.0 -13.5 -8.8 29 29 A L T 3 S+ 0 0 22 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.527 97.2 55.2 -74.2 -8.9 -14.5 -13.4 -10.4 30 30 A E T 3 S+ 0 0 158 1,-0.1 -1,-0.2 180,-0.0 2,-0.2 -0.144 84.9 86.2-117.5 32.2 -16.3 -12.4 -13.7 31 31 A Q < + 0 0 0 -3,-0.8 -8,-2.8 83,-0.2 2,-0.3 -0.623 54.2 159.9-130.3 76.3 -18.2 -9.3 -12.4 32 32 A K E -J 22 0B 72 -10,-0.3 -10,-0.3 -2,-0.2 -14,-0.0 -0.714 46.7 -96.5 -94.7 146.8 -15.9 -6.4 -12.7 33 33 A T E + 0 0 5 -12,-2.6 -13,-2.5 -2,-0.3 181,-0.2 -0.256 39.6 171.9 -57.2 146.7 -17.0 -2.7 -12.8 34 34 A A E -J 19 0B 22 179,-2.6 540,-2.4 1,-0.3 2,-0.3 0.099 59.8 -40.1-143.4 20.5 -17.4 -1.2 -16.2 35 35 A G E -lM 214 573D 0 -17,-1.3 180,-2.4 178,-0.5 2,-0.4 -0.959 67.2 -72.3 151.4-164.6 -19.0 2.2 -15.5 36 36 A I E +lM 215 572D 1 536,-1.9 536,-2.2 -2,-0.3 180,-0.1 -0.997 25.0 171.8-132.0 129.7 -21.5 4.0 -13.5 37 37 A H S S- 0 0 2 178,-3.0 2,-0.3 1,-0.5 533,-0.2 0.814 85.8 -10.7 -88.4 -59.5 -25.3 4.0 -13.5 38 38 A M S S- 0 0 2 177,-1.5 -1,-0.5 533,-0.0 528,-0.2 -0.972 80.3-109.0-134.6 152.4 -25.7 6.0 -10.3 39 39 A R - 0 0 2 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.0 -0.266 27.7-114.9 -75.7 166.4 -23.1 7.0 -7.8 40 40 A Q - 0 0 2 176,-0.1 -26,-2.8 -24,-0.1 -25,-0.6 -0.863 35.4-168.1-101.5 137.7 -22.8 5.7 -4.2 41 41 A W E -A 13 0A 31 -2,-0.4 21,-2.5 -28,-0.2 2,-0.5 -0.896 24.5-140.4-129.9 148.9 -23.4 8.1 -1.3 42 42 A A E -AC 12 61A 0 -30,-2.7 -30,-2.3 -2,-0.3 2,-0.5 -0.955 22.5-161.7 -98.4 130.7 -23.0 8.3 2.5 43 43 A R E -AC 11 60A 7 17,-2.7 17,-2.6 -2,-0.5 2,-0.4 -0.973 8.6-162.7-119.4 115.7 -26.0 10.0 4.0 44 44 A A E -AC 10 59A 0 -34,-2.6 -34,-2.3 -2,-0.5 2,-0.5 -0.843 11.5-167.6-109.0 140.2 -25.4 11.3 7.5 45 45 A F E -AC 9 58A 0 13,-3.0 13,-2.3 -2,-0.4 2,-0.5 -0.959 5.9-168.0-130.1 105.8 -27.9 12.4 10.1 46 46 A V E -AC 8 57A 0 -38,-2.8 -38,-2.2 -2,-0.5 2,-0.4 -0.851 7.6-171.8 -93.5 131.1 -26.6 14.3 13.1 47 47 A I E -AC 7 56A 5 9,-2.9 9,-2.5 -2,-0.5 2,-0.4 -0.989 3.7-175.6-126.5 133.4 -29.0 14.6 16.0 48 48 A E E -AC 6 55A 18 -42,-2.9 -42,-2.2 -2,-0.4 2,-0.5 -0.980 25.1-128.7-128.4 141.4 -28.5 16.7 19.1 49 49 A E E -A 5 0A 27 5,-2.4 -44,-0.2 -2,-0.4 3,-0.2 -0.723 12.1-146.7 -84.0 127.8 -30.6 17.1 22.2 50 50 A A S S+ 0 0 42 -46,-2.4 -1,-0.2 -2,-0.5 -45,-0.1 0.774 99.2 53.5 -63.1 -15.1 -31.2 20.8 22.8 51 51 A A S S- 0 0 87 -47,-0.4 -1,-0.2 3,-0.1 2,-0.1 0.805 133.6 -9.0 -85.1 -41.4 -31.2 19.8 26.6 52 52 A S S S- 0 0 61 -3,-0.2 3,-0.1 2,-0.1 -4,-0.1 0.802 76.1-134.2 54.7-179.4 -28.2 18.3 26.4 53 53 A G + 0 0 30 -2,-0.1 2,-0.1 -6,-0.1 -3,-0.0 0.299 34.6 158.1-133.6 136.6 -26.7 17.7 23.9 54 54 A R - 0 0 140 241,-0.1 -5,-2.4 1,-0.1 2,-0.4 0.039 35.1-142.5 48.0 89.5 -25.5 14.9 23.6 55 55 A R E -C 48 0A 53 -7,-0.2 2,-0.3 30,-0.2 -7,-0.2 -0.977 16.1-173.5-122.0 140.8 -25.0 14.3 19.9 56 56 A L E -C 47 0A 4 -9,-2.5 -9,-2.9 -2,-0.4 2,-0.4 -0.934 7.1-158.4-121.8 151.9 -25.5 11.1 17.9 57 57 A V E -Cd 46 91A 0 33,-2.4 35,-2.7 -2,-0.3 2,-0.4 -0.991 5.3-172.1-133.4 131.8 -24.7 10.6 14.2 58 58 A Y E -Cd 45 92A 7 -13,-2.3 -13,-3.0 -2,-0.4 2,-0.5 -0.969 6.3-170.5-116.2 127.7 -26.1 7.8 12.0 59 59 A V E -Cd 44 93A 0 33,-2.8 35,-2.7 -2,-0.4 2,-0.5 -0.991 6.1-164.5-121.8 124.1 -24.7 7.3 8.5 60 60 A N E -Cd 43 94A 5 -17,-2.6 -17,-2.7 -2,-0.5 2,-0.4 -0.928 15.4-158.9-106.6 134.6 -26.3 5.0 5.9 61 61 A T E -Cd 42 95A 0 33,-2.3 35,-2.5 -2,-0.5 2,-2.1 -0.907 27.2-126.5-120.0 142.0 -24.1 4.1 3.0 62 62 A D S S+ 0 0 2 -21,-2.5 2,-0.3 -2,-0.4 33,-0.1 -0.434 75.0 113.1 -78.5 65.4 -24.8 2.9 -0.6 63 63 A L S S- 0 0 1 -2,-2.1 34,-2.1 1,-0.1 35,-0.9 -0.876 81.0-113.2-133.7 162.5 -22.4 -0.2 -0.0 64 64 A G S S- 0 0 4 33,-0.3 2,-0.3 -2,-0.3 31,-0.1 0.873 95.7 -29.9 -64.0 -35.7 -22.7 -4.0 0.2 65 65 A M - 0 0 3 29,-0.1 2,-0.7 32,-0.1 -1,-0.2 -0.972 60.0-106.2-167.6 168.9 -21.7 -3.7 3.9 66 66 A I - 0 0 0 364,-0.4 29,-0.1 -2,-0.3 27,-0.1 -0.893 41.4-151.6-113.8 105.7 -19.7 -1.6 6.3 67 67 A F >> - 0 0 1 -2,-0.7 4,-2.2 363,-0.2 3,-0.9 -0.344 24.5-112.0 -75.3 154.6 -16.6 -3.6 7.1 68 68 A Q H 3> S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.864 116.3 59.9 -50.5 -41.0 -14.7 -3.3 10.4 69 69 A A H 3> S+ 0 0 8 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.874 107.4 45.1 -57.6 -40.0 -11.8 -1.7 8.5 70 70 A V H <> S+ 0 0 0 -3,-0.9 4,-3.0 35,-0.3 5,-0.3 0.935 112.7 51.2 -66.5 -51.2 -13.9 1.2 7.4 71 71 A H H X S+ 0 0 0 -4,-2.2 4,-2.4 358,-0.3 -2,-0.2 0.943 111.7 47.1 -53.1 -47.8 -15.5 1.6 10.8 72 72 A L H X S+ 0 0 53 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.888 115.4 44.1 -64.1 -41.6 -12.1 1.7 12.5 73 73 A K H X S+ 0 0 61 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.888 111.6 52.8 -74.7 -39.7 -10.6 4.2 10.1 74 74 A V H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.939 110.5 48.7 -59.2 -45.6 -13.6 6.5 10.1 75 75 A L H X S+ 0 0 7 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.916 110.6 49.9 -61.8 -42.8 -13.5 6.6 13.9 76 76 A A H X S+ 0 0 52 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.921 111.5 49.2 -59.9 -44.3 -9.8 7.4 13.9 77 77 A R H X S+ 0 0 94 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.889 111.1 49.4 -62.2 -41.9 -10.4 10.2 11.3 78 78 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 8,-0.2 0.890 111.4 49.1 -64.2 -39.6 -13.2 11.7 13.3 79 79 A K H < S+ 0 0 91 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.839 111.3 50.5 -69.3 -33.6 -11.1 11.6 16.5 80 80 A A H < S+ 0 0 83 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.875 121.5 30.9 -68.9 -39.8 -8.2 13.3 14.8 81 81 A K H < S+ 0 0 120 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.797 132.0 28.8 -95.0 -29.2 -10.3 16.2 13.3 82 82 A Y S >X S- 0 0 55 -4,-2.6 3,-2.1 -5,-0.2 4,-0.9 -0.525 79.6-164.3-131.8 62.9 -13.0 16.6 15.9 83 83 A P T 34 S+ 0 0 98 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.231 74.1 8.9 -62.2 136.1 -11.6 15.6 19.3 84 84 A G T 34 S+ 0 0 86 2,-0.3 3,-0.1 1,-0.1 -5,-0.1 0.296 112.5 84.3 83.5 -7.6 -14.1 15.0 22.0 85 85 A V T <4 S+ 0 0 56 -3,-2.1 2,-0.4 1,-0.3 -30,-0.2 0.902 92.8 23.0 -91.8 -48.9 -17.1 15.2 19.6 86 86 A Y < + 0 0 4 -4,-0.9 -2,-0.3 -8,-0.2 -1,-0.3 -0.925 61.7 143.4-123.2 144.7 -17.3 11.7 18.2 87 87 A D >> - 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