==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-FEB-06 2DDT . COMPND 2 MOLECULE: SPHINGOMYELIN PHOSPHODIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR H.AGO,M.ODA,H.TSUGE,N.KATUNUMA,M.MIYANO,J.SAKURAI,RIKEN . 575 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 19.5 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 . 4 0.7 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 . 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 . 47 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 2 0 1 1 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 0 4 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 . 4 2 0 2 4 4 2 2 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 . 2 0 0 0 2 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 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 8 A D 0 0 117 0, 0.0 289,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 164.9 6.5 20.3 -8.1 2 9 A T E -A 289 0A 72 287,-0.2 2,-0.5 2,-0.0 287,-0.2 -0.974 360.0-148.1-128.6 141.0 5.6 16.6 -8.5 3 10 A L E -A 288 0A 1 285,-2.9 285,-2.9 -2,-0.4 2,-0.6 -0.946 9.5-158.8-111.6 131.1 5.0 14.1 -5.7 4 11 A K E +A 287 0A 51 -2,-0.5 36,-2.6 283,-0.2 37,-1.9 -0.944 17.1 169.9-112.7 117.6 6.0 10.5 -6.3 5 12 A V E -Ab 286 41A 0 281,-2.0 281,-3.9 -2,-0.6 2,-0.3 -0.992 9.1-172.1-130.6 136.7 4.3 7.8 -4.2 6 13 A M E -Ab 285 42A 0 35,-2.1 37,-3.1 -2,-0.4 2,-0.4 -0.927 4.7-166.1-126.0 148.6 4.4 4.1 -4.7 7 14 A T E +Ab 284 43A 0 277,-1.8 277,-2.4 -2,-0.3 2,-0.3 -0.994 10.3 177.2-132.8 139.8 2.5 1.3 -2.9 8 15 A H E - b 0 44A 1 35,-2.1 37,-2.3 -2,-0.4 2,-0.8 -0.934 28.0-145.9-150.5 124.8 3.3 -2.4 -3.1 9 16 A N E - b 0 45A 0 -2,-0.3 272,-0.5 273,-0.3 37,-0.2 -0.802 23.1-170.1 -83.5 112.5 1.9 -5.5 -1.5 10 17 A V E - 0 0 0 35,-2.7 36,-0.2 -2,-0.8 -1,-0.1 0.412 25.2-131.2 -93.2 4.1 5.1 -7.4 -1.0 11 18 A Y E + 0 0 21 34,-0.2 2,-0.6 1,-0.2 35,-0.1 0.928 44.2 160.5 50.1 57.0 3.6 -10.8 0.0 12 19 A M E - b 0 47A 0 34,-2.3 37,-2.6 33,-0.2 36,-0.6 -0.552 16.5-177.4-109.2 67.8 5.9 -11.3 3.1 13 20 A L - 0 0 32 -2,-0.6 2,-0.1 35,-0.2 8,-0.1 -0.162 41.0 -80.8 -59.8 157.2 3.9 -13.9 5.0 14 21 A S >> - 0 0 16 1,-0.1 4,-2.6 34,-0.1 3,-1.3 -0.404 29.8-141.4 -63.2 132.0 5.1 -15.0 8.3 15 22 A T T 34 S+ 0 0 45 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.638 99.4 68.9 -70.1 -12.6 7.9 -17.7 8.0 16 23 A N T 34 S+ 0 0 149 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.756 115.2 26.0 -75.3 -24.3 6.3 -19.4 11.1 17 24 A L T <4 S+ 0 0 132 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.1 0.697 139.1 26.4-106.3 -29.7 3.4 -20.3 8.9 18 25 A Y >< + 0 0 117 -4,-2.6 3,-0.8 1,-0.1 -1,-0.2 -0.683 66.5 171.2-136.8 79.3 5.0 -20.3 5.4 19 26 A P T 3 S+ 0 0 82 0, 0.0 3,-0.3 0, 0.0 -4,-0.1 0.739 71.8 50.2 -62.2 -26.9 8.8 -21.1 5.9 20 27 A N T 3 + 0 0 78 1,-0.2 -5,-0.0 2,-0.1 246,-0.0 -0.185 68.9 103.8-113.6 44.5 9.6 -21.4 2.2 21 28 A W S < S- 0 0 25 -3,-0.8 -1,-0.2 -8,-0.1 -8,-0.1 0.205 89.9-114.7-104.4 16.2 8.3 -18.4 0.3 22 29 A G > + 0 0 13 -3,-0.3 4,-2.8 3,-0.1 5,-0.3 0.740 60.9 154.4 59.3 28.5 11.7 -16.8 0.0 23 30 A Q H > + 0 0 3 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.901 69.3 46.8 -52.1 -51.6 10.8 -13.9 2.3 24 31 A T H > S+ 0 0 59 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.929 114.5 46.1 -61.0 -46.7 14.3 -13.1 3.5 25 32 A E H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 112.5 50.5 -65.5 -37.4 15.8 -13.3 -0.0 26 33 A R H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.4 0.767 101.0 63.3 -70.6 -23.3 13.1 -11.1 -1.5 27 34 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.910 110.4 40.4 -63.8 -38.9 13.7 -8.6 1.3 28 35 A D H X S+ 0 0 56 -4,-1.3 4,-1.5 -3,-0.2 -2,-0.2 0.885 115.1 50.2 -75.6 -41.6 17.1 -8.2 -0.2 29 36 A L H X S+ 0 0 28 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.933 114.6 43.6 -64.3 -45.6 15.9 -8.3 -3.9 30 37 A I H >< S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.2 6,-0.2 0.920 110.5 56.6 -65.5 -42.9 13.2 -5.7 -3.3 31 38 A G H 3< S+ 0 0 13 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.829 114.8 37.8 -58.2 -32.4 15.6 -3.5 -1.3 32 39 A A H 3< S+ 0 0 70 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.468 92.1 119.8 -97.9 -3.9 18.1 -3.4 -4.2 33 40 A A << - 0 0 5 -3,-0.9 3,-0.3 -4,-0.7 4,-0.1 -0.285 59.6-142.4 -66.7 146.6 15.5 -3.2 -7.0 34 41 A D S > S+ 0 0 128 1,-0.2 3,-1.5 2,-0.2 -1,-0.1 0.796 94.1 67.8 -76.7 -30.5 15.4 -0.2 -9.3 35 42 A Y T 3 S+ 0 0 25 1,-0.3 -1,-0.2 3,-0.0 -5,-0.0 0.802 99.3 49.7 -61.6 -30.6 11.6 -0.1 -9.5 36 43 A I T 3 S+ 0 0 2 -3,-0.3 3,-0.4 -6,-0.2 -1,-0.3 0.421 96.3 97.8 -90.6 3.1 11.2 1.0 -5.9 37 44 A K < + 0 0 65 -3,-1.5 -3,-0.0 1,-0.2 -5,-0.0 -0.377 68.5 32.4 -87.9 167.7 13.8 3.8 -6.3 38 45 A N S S+ 0 0 133 1,-0.2 2,-0.2 -2,-0.1 -1,-0.2 0.733 82.8 130.6 60.1 31.5 13.3 7.5 -6.9 39 46 A Q - 0 0 2 -3,-0.4 -1,-0.2 1,-0.1 -34,-0.2 -0.658 55.0-145.4-106.3 165.6 10.0 7.9 -5.0 40 47 A D S S+ 0 0 14 -36,-2.6 61,-1.7 1,-0.4 62,-0.6 0.792 88.4 12.1 -94.4 -40.5 9.1 10.5 -2.3 41 48 A V E -bC 5 100A 0 -37,-1.9 -35,-2.1 59,-0.2 2,-0.4 -0.997 65.1-162.2-140.6 141.2 7.0 8.1 -0.3 42 49 A V E -bC 6 99A 0 57,-2.7 57,-2.4 -2,-0.3 2,-0.4 -0.993 4.5-158.9-129.4 128.3 6.6 4.3 -0.4 43 50 A I E -bC 7 98A 0 -37,-3.1 -35,-2.1 -2,-0.4 2,-0.4 -0.875 12.4-159.2-103.1 131.7 3.6 2.4 1.2 44 51 A L E -bC 8 97A 0 53,-3.0 53,-1.4 -2,-0.4 2,-0.3 -0.909 5.3-166.4-115.8 142.5 4.2 -1.3 1.9 45 52 A N E +b 9 0A 0 -37,-2.3 -35,-2.7 -2,-0.4 -34,-0.2 -0.917 67.0 18.4-123.4 153.4 1.6 -4.0 2.4 46 53 A E E + 0 0 25 48,-0.4 -34,-2.3 -2,-0.3 2,-1.2 0.813 63.3 147.7 57.7 37.8 1.9 -7.5 3.8 47 54 A V E +b 12 0A 0 48,-2.0 48,-0.3 1,-0.2 -1,-0.2 -0.531 24.1 140.3 -94.5 62.6 5.3 -7.0 5.5 48 55 A F + 0 0 18 -2,-1.2 2,-0.3 -36,-0.6 45,-0.3 0.899 36.7 85.7 -73.0 -48.5 3.9 -9.5 8.1 49 56 A D S > S- 0 0 8 -37,-2.6 4,-2.5 -3,-0.3 5,-0.3 -0.447 70.5-149.7 -62.2 120.2 7.1 -11.5 8.8 50 57 A N H > S+ 0 0 78 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.918 90.5 41.5 -59.2 -49.4 8.9 -9.6 11.5 51 58 A S H > S+ 0 0 94 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.939 119.4 42.9 -66.8 -47.2 12.5 -10.5 10.6 52 59 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.878 113.8 52.1 -68.1 -37.0 12.1 -10.2 6.8 53 60 A S H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.916 110.6 47.1 -65.8 -42.5 10.1 -7.0 7.1 54 61 A D H X S+ 0 0 93 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.852 111.2 53.0 -67.4 -31.4 12.7 -5.4 9.3 55 62 A R H X S+ 0 0 115 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.934 110.3 47.2 -67.1 -45.0 15.4 -6.6 6.9 56 63 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.937 111.6 50.0 -61.0 -48.1 13.5 -5.0 4.0 57 64 A L H X S+ 0 0 12 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.880 109.9 52.1 -59.4 -37.6 13.1 -1.7 5.9 58 65 A G H >< S+ 0 0 42 -4,-2.0 3,-0.6 1,-0.2 4,-0.4 0.868 107.2 51.6 -66.9 -36.1 16.8 -1.8 6.7 59 66 A N H 3< S+ 0 0 65 -4,-2.0 4,-0.3 1,-0.2 3,-0.2 0.742 111.7 47.6 -72.3 -22.1 17.6 -2.2 3.0 60 67 A L H 3X S+ 0 0 6 -4,-1.4 4,-3.3 -3,-0.2 -1,-0.2 0.503 88.4 91.0 -93.7 -6.3 15.4 0.8 2.1 61 68 A K T << S+ 0 0 138 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.1 0.836 77.0 60.3 -58.0 -39.7 17.0 2.9 4.9 62 69 A K T 4 S+ 0 0 200 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.943 121.8 22.5 -56.4 -50.8 19.7 4.4 2.7 63 70 A E T 4 S+ 0 0 65 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.812 136.8 34.2 -86.9 -33.6 17.2 6.0 0.3 64 71 A Y < + 0 0 0 -4,-3.3 36,-0.2 -7,-0.1 -1,-0.2 -0.597 65.4 160.0-123.9 69.7 14.2 6.2 2.6 65 72 A P + 0 0 62 0, 0.0 2,-0.8 0, 0.0 36,-0.2 0.709 55.7 81.7 -62.5 -24.2 15.6 6.8 6.1 66 73 A N E +D 100 0A 24 34,-1.9 34,-2.4 36,-0.1 2,-0.3 -0.773 65.9 162.8 -89.3 112.6 12.3 8.1 7.5 67 74 A Q E -D 99 0A 42 -2,-0.8 32,-0.2 32,-0.2 2,-0.2 -0.968 33.3-140.2-138.2 149.4 10.2 5.1 8.5 68 75 A T - 0 0 6 30,-2.2 11,-0.1 -2,-0.3 2,-0.1 -0.520 34.5-104.4 -95.0 167.8 7.1 4.1 10.5 69 76 A A - 0 0 28 9,-0.3 2,-0.5 -2,-0.2 29,-0.3 -0.259 51.9 -82.5 -78.9 177.1 6.9 0.9 12.5 70 77 A V > - 0 0 3 27,-0.1 3,-1.8 1,-0.1 4,-0.4 -0.766 54.0-100.6 -89.2 126.9 4.7 -1.8 11.1 71 78 A L T 3 S+ 0 0 0 25,-3.2 23,-2.4 -2,-0.5 24,-0.8 -0.100 100.9 6.6 -43.4 132.5 1.0 -1.4 11.8 72 79 A G T 3 S+ 0 0 5 2,-0.3 -1,-0.2 21,-0.2 49,-0.2 0.517 98.3 102.2 71.2 8.9 -0.3 -3.5 14.7 73 80 A R S < S- 0 0 60 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.733 93.0 -5.8 -93.8 -25.6 3.1 -4.9 15.8 74 81 A S - 0 0 41 -4,-0.4 -2,-0.3 2,-0.1 -1,-0.2 -0.931 49.5-148.0-156.2 174.5 3.5 -2.6 18.9 75 82 A S + 0 0 65 -2,-0.3 7,-0.1 -3,-0.1 13,-0.0 -0.009 54.9 113.7-145.2 35.0 1.9 0.4 20.6 76 83 A G S > S- 0 0 36 5,-0.1 3,-1.7 1,-0.0 -2,-0.1 0.030 88.0 -62.1 -91.2-158.0 4.6 2.5 22.2 77 84 A S T 3 S+ 0 0 26 1,-0.3 318,-0.2 315,-0.2 -1,-0.0 0.462 114.8 87.0 -69.5 -2.1 6.0 5.9 21.5 78 85 A E T 3 S+ 0 0 66 316,-0.1 2,-0.4 1,-0.1 -9,-0.3 0.654 91.9 54.8 -70.7 -12.8 7.1 4.9 18.0 79 86 A W S < S- 0 0 6 -3,-1.7 29,-0.2 1,-0.1 3,-0.1 -0.975 77.8-146.0-120.2 133.5 3.5 5.9 17.2 80 87 A D S S+ 0 0 50 27,-2.9 2,-0.3 -2,-0.4 28,-0.2 0.867 90.6 0.2 -64.8 -33.6 2.1 9.4 18.0 81 88 A K E -g 108 0B 87 26,-0.8 28,-2.0 -3,-0.1 2,-0.6 -0.985 60.8-148.5-153.5 145.5 -1.2 7.7 18.6 82 89 A T E -g 109 0B 49 -2,-0.3 2,-0.2 26,-0.2 28,-0.2 -0.950 31.7-176.4-118.8 106.8 -2.6 4.2 18.4 83 90 A L E +g 110 0B 50 26,-3.1 28,-2.2 -2,-0.6 3,-0.0 -0.597 32.9 13.4-104.8 163.2 -6.2 4.3 17.4 84 91 A G E S-g 111 0B 48 26,-0.2 2,-2.0 -2,-0.2 28,-0.2 -0.210 110.3 -17.0 78.3-165.7 -9.0 1.8 16.9 85 92 A N S S+ 0 0 99 26,-1.7 2,-0.2 2,-0.0 -1,-0.2 -0.225 75.2 167.9 -75.4 48.2 -9.3 -1.9 17.9 86 93 A Y - 0 0 46 -2,-2.0 2,-0.4 25,-0.1 -2,-0.1 -0.435 10.1-175.7 -66.7 134.1 -5.6 -2.5 18.6 87 94 A S > - 0 0 25 -2,-0.2 3,-0.8 -15,-0.1 34,-0.1 -0.998 26.7-156.8-134.3 132.7 -4.9 -5.8 20.4 88 95 A S T 3 S+ 0 0 109 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.526 94.1 62.4 -82.6 -4.3 -1.5 -7.0 21.6 89 96 A S T 3 S+ 0 0 87 3,-0.0 -1,-0.2 2,-0.0 0, 0.0 0.295 70.3 119.1-104.3 9.5 -2.8 -10.6 21.5 90 97 A T < - 0 0 18 -3,-0.8 29,-0.2 -18,-0.1 30,-0.1 -0.535 68.7-128.2 -73.3 141.4 -3.5 -10.8 17.8 91 98 A P S S+ 0 0 111 0, 0.0 2,-0.3 0, 0.0 29,-0.2 0.803 86.7 23.4 -60.2 -31.1 -1.5 -13.6 16.1 92 99 A E B S-l 120 0C 36 27,-1.7 29,-1.2 26,-0.4 2,-0.1 -0.916 78.4-114.7-136.4 160.8 -0.1 -11.3 13.4 93 100 A D - 0 0 6 -2,-0.3 -21,-0.2 -45,-0.3 29,-0.1 -0.282 38.1-101.7 -85.3 178.4 0.5 -7.6 12.7 94 101 A G - 0 0 0 -23,-2.4 -48,-0.4 27,-0.3 29,-0.2 0.608 42.2-137.4 -76.7 -14.4 -1.3 -5.5 10.1 95 102 A G + 0 0 0 -24,-0.8 -48,-2.0 -48,-0.3 2,-0.4 0.620 58.6 125.1 68.9 15.8 1.6 -5.6 7.7 96 103 A V + 0 0 0 -25,-0.2 -25,-3.2 -51,-0.2 2,-0.3 -0.904 25.5 155.7-112.4 136.5 1.5 -1.9 6.7 97 104 A A E -C 44 0A 0 -53,-1.4 -53,-3.0 -2,-0.4 2,-0.4 -0.975 25.0-146.8-150.8 158.1 4.4 0.5 6.9 98 105 A I E -C 43 0A 0 -29,-0.3 -30,-2.2 -2,-0.3 2,-0.3 -0.995 12.3-175.3-132.4 137.0 5.4 3.7 5.2 99 106 A V E -CD 42 67A 0 -57,-2.4 -57,-2.7 -2,-0.4 2,-0.3 -0.915 7.6-179.3-127.7 156.5 8.9 5.0 4.4 100 107 A S E -CD 41 66A 0 -34,-2.4 -34,-1.9 -2,-0.3 -59,-0.2 -0.992 39.3-135.9-155.5 156.6 10.0 8.3 2.9 101 108 A K S S+ 0 0 91 -61,-1.7 267,-0.2 -2,-0.3 -60,-0.1 0.496 92.8 72.0 -89.6 -5.8 13.1 10.3 1.8 102 109 A W S S- 0 0 47 -62,-0.6 29,-0.1 -36,-0.1 -2,-0.1 -0.763 98.9 -85.6-111.2 156.0 11.5 13.3 3.6 103 110 A P - 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