==== 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 2DDS . COMPND 2 MOLECULE: SPHINGOMYELIN PHOSPHODIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR H.AGO,M.ODA,M.TAKAHASHI,H.TSUGE,S.OCHI,N.KATUNUMA,M.MIYANO, . 1176 8 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 767 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 19.0 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 . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 102 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 0 0 4 4 4 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 8 0 8 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 . 9 4 0 5 7 8 6 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 . 4 1 0 0 4 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 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 N 0 0 123 0, 0.0 3,-0.1 0, 0.0 298,-0.1 0.000 360.0 360.0 360.0 5.5 9.1 -16.1 15.6 2 8 A D + 0 0 96 1,-0.2 297,-2.3 133,-0.1 2,-0.4 0.711 360.0 103.1 67.6 22.4 11.7 -14.8 13.1 3 9 A T E -A 298 0A 54 295,-0.2 2,-0.5 2,-0.0 295,-0.2 -0.997 54.8-157.9-137.2 130.3 9.0 -14.4 10.4 4 10 A L E -A 297 0A 0 293,-2.8 293,-2.6 -2,-0.4 2,-0.6 -0.935 4.0-162.0-111.8 128.2 7.4 -11.1 9.4 5 11 A K E +A 296 0A 43 -2,-0.5 36,-2.8 291,-0.2 37,-1.8 -0.939 15.9 169.9-112.8 114.8 4.0 -11.0 7.7 6 12 A V E -Ab 295 42A 0 289,-1.6 289,-3.3 -2,-0.6 2,-0.3 -0.979 9.3-171.0-125.9 137.4 3.1 -7.8 5.9 7 13 A M E -Ab 294 43A 0 35,-2.2 37,-3.5 -2,-0.4 2,-0.4 -0.936 4.8-165.5-126.0 148.5 0.1 -7.3 3.6 8 14 A T E +Ab 293 44A 0 285,-1.9 285,-2.4 -2,-0.3 2,-0.3 -0.993 10.4 176.0-132.4 140.7 -0.7 -4.5 1.2 9 15 A H E - b 0 45A 2 35,-2.1 37,-2.4 -2,-0.4 2,-0.9 -0.930 28.2-146.8-151.4 123.6 -4.1 -3.9 -0.3 10 16 A N E - b 0 46A 0 -2,-0.3 280,-0.5 281,-0.3 37,-0.2 -0.814 23.5-170.1 -84.0 111.9 -5.5 -1.1 -2.5 11 17 A V E - 0 0 0 35,-2.5 36,-0.2 -2,-0.9 -1,-0.1 0.369 26.2-128.9 -92.5 5.2 -9.1 -1.2 -1.2 12 18 A Y E + 0 0 17 34,-0.2 2,-0.6 1,-0.2 35,-0.1 0.925 45.7 159.4 51.2 57.8 -10.8 1.1 -3.7 13 19 A M E - b 0 48A 0 34,-1.9 37,-2.5 33,-0.2 36,-0.8 -0.625 15.5-179.5-111.6 73.4 -12.5 3.5 -1.3 14 20 A L - 0 0 32 -2,-0.6 8,-0.1 35,-0.2 10,-0.1 -0.270 43.5 -79.7 -66.8 157.2 -13.1 6.5 -3.5 15 21 A S >> - 0 0 17 1,-0.2 4,-2.8 35,-0.1 3,-1.3 -0.380 31.1-140.9 -60.5 132.6 -14.9 9.5 -1.9 16 22 A T T 34 S+ 0 0 45 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.567 99.9 69.6 -71.5 -8.4 -18.6 9.0 -1.7 17 23 A N T 34 S+ 0 0 143 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.717 115.1 24.9 -79.5 -22.1 -19.0 12.7 -2.6 18 24 A L T <4 S+ 0 0 133 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.1 0.700 136.9 31.4-108.4 -33.1 -17.7 11.8 -6.1 19 25 A Y >< + 0 0 119 -4,-2.8 3,-0.7 1,-0.1 -2,-0.2 -0.684 66.8 171.8-130.2 77.6 -18.7 8.1 -6.3 20 26 A P T 3 S+ 0 0 81 0, 0.0 3,-0.3 0, 0.0 2,-0.2 0.778 71.4 48.8 -54.7 -36.5 -21.9 7.7 -4.2 21 27 A N T 3 S+ 0 0 80 1,-0.2 254,-0.0 2,-0.1 -5,-0.0 -0.313 70.1 101.9-113.3 54.8 -22.6 4.1 -5.2 22 28 A W S < S- 0 0 19 -3,-0.7 -1,-0.2 -2,-0.2 5,-0.1 0.155 88.3-115.5-114.2 17.4 -19.4 2.0 -4.8 23 29 A G > + 0 0 15 -3,-0.3 4,-2.9 1,-0.1 5,-0.3 0.767 58.8 155.9 55.3 32.0 -20.5 0.4 -1.5 24 30 A Q H > S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.905 70.8 46.9 -53.6 -48.7 -17.6 2.0 0.3 25 31 A T H > S+ 0 0 63 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.949 114.3 45.9 -61.8 -50.0 -19.4 1.8 3.7 26 32 A E H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.905 112.5 50.5 -62.0 -40.5 -20.5 -1.8 3.3 27 33 A R H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.4 0.764 100.5 63.9 -69.8 -22.4 -17.0 -2.9 2.1 28 34 A A H X S+ 0 0 0 -4,-1.4 4,-1.7 -3,-0.4 -1,-0.2 0.900 110.6 39.7 -64.4 -37.4 -15.5 -1.2 5.1 29 35 A D H X S+ 0 0 57 -4,-1.3 4,-1.5 -3,-0.4 -2,-0.2 0.907 116.1 49.5 -76.0 -43.9 -17.4 -3.8 7.1 30 36 A L H X S+ 0 0 29 -4,-2.5 4,-0.8 2,-0.2 3,-0.2 0.928 115.6 42.7 -62.1 -46.8 -16.8 -6.7 4.8 31 37 A I H >< S+ 0 0 0 -4,-3.0 3,-1.2 1,-0.2 6,-0.2 0.944 110.7 56.7 -64.5 -46.9 -13.0 -6.0 4.6 32 38 A G H 3< S+ 0 0 11 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.793 115.8 36.9 -55.3 -29.3 -12.8 -5.4 8.3 33 39 A A H 3< S+ 0 0 68 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.467 92.0 122.2-102.3 -3.3 -14.3 -8.8 9.0 34 40 A A << - 0 0 5 -3,-1.2 3,-0.3 -4,-0.8 4,-0.2 -0.243 59.5-140.3 -65.1 145.4 -12.6 -10.7 6.2 35 41 A D S > S+ 0 0 128 1,-0.2 3,-1.5 2,-0.2 -1,-0.1 0.839 95.4 66.3 -72.8 -33.8 -10.4 -13.7 6.8 36 42 A Y T 3 S+ 0 0 23 1,-0.3 -1,-0.2 3,-0.0 -5,-0.0 0.783 99.8 50.5 -61.0 -28.9 -7.7 -12.7 4.3 37 43 A I T 3 S+ 0 0 2 -3,-0.3 3,-0.4 -6,-0.2 -1,-0.3 0.480 94.5 96.6 -90.3 -0.9 -6.6 -9.6 6.2 38 44 A K S < S+ 0 0 67 -3,-1.5 -3,-0.0 -4,-0.2 -5,-0.0 -0.338 70.0 32.1 -85.2 167.3 -6.2 -11.4 9.5 39 45 A N S S+ 0 0 132 1,-0.2 2,-0.2 -2,-0.1 -1,-0.2 0.689 83.1 130.7 62.4 25.7 -3.1 -12.9 11.1 40 46 A Q - 0 0 2 -3,-0.4 -1,-0.2 1,-0.1 -34,-0.2 -0.599 55.7-143.6-101.4 166.5 -0.6 -10.3 9.7 41 47 A D S S+ 0 0 10 -36,-2.8 61,-1.9 1,-0.4 62,-0.7 0.811 87.9 9.0 -92.8 -40.8 2.0 -8.3 11.6 42 48 A V E -bC 6 101A 1 -37,-1.8 -35,-2.2 59,-0.2 2,-0.4 -0.998 65.1-159.8-142.4 141.5 1.5 -5.1 9.5 43 49 A V E -bC 7 100A 0 57,-2.6 57,-2.2 -2,-0.3 2,-0.5 -0.989 4.7-156.9-128.8 126.8 -1.1 -4.1 6.9 44 50 A I E -bC 8 99A 1 -37,-3.5 -35,-2.1 -2,-0.4 2,-0.4 -0.872 13.6-160.7 -99.9 129.9 -0.6 -1.3 4.3 45 51 A L E -bC 9 98A 0 53,-2.9 53,-1.6 -2,-0.5 2,-0.3 -0.922 5.2-167.3-115.3 138.4 -3.8 0.2 2.9 46 52 A N E +b 10 0A 0 -37,-2.4 -35,-2.5 -2,-0.4 -34,-0.2 -0.901 66.7 19.7-121.0 153.5 -4.2 2.1 -0.3 47 53 A E E + 0 0 25 48,-0.4 -34,-1.9 -2,-0.3 2,-1.5 0.783 63.4 149.0 60.9 32.7 -7.1 4.2 -1.6 48 54 A V E +b 13 0A 0 48,-2.2 48,-0.3 1,-0.2 -1,-0.2 -0.449 24.9 138.2 -89.1 61.6 -8.7 4.7 1.8 49 55 A F + 0 0 20 -2,-1.5 45,-0.2 -36,-0.8 -35,-0.2 0.931 35.5 85.6 -73.0 -53.1 -9.9 8.1 0.4 50 56 A D S > S- 0 0 8 -37,-2.5 4,-2.4 -3,-0.4 5,-0.3 -0.363 70.3-149.4 -57.2 121.0 -13.5 8.3 1.7 51 57 A N H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.931 90.9 43.0 -60.4 -49.2 -13.2 9.8 5.2 52 58 A S H > S+ 0 0 91 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.938 118.9 42.1 -64.2 -49.1 -16.2 8.1 6.7 53 59 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.857 113.8 52.2 -68.2 -35.9 -15.6 4.6 5.2 54 60 A S H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.921 110.8 46.9 -67.7 -42.2 -11.9 4.7 5.8 55 61 A D H X S+ 0 0 92 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.845 111.9 52.2 -66.5 -32.6 -12.3 5.5 9.5 56 62 A R H X S+ 0 0 116 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.925 110.9 47.1 -68.0 -43.8 -15.0 2.8 9.7 57 63 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.947 111.8 49.2 -62.2 -50.0 -12.6 0.3 8.2 58 64 A L H X S+ 0 0 11 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.898 110.9 52.2 -57.4 -38.9 -9.7 1.4 10.5 59 65 A G H >< S+ 0 0 46 -4,-2.1 3,-0.7 1,-0.2 4,-0.4 0.889 108.1 50.0 -64.6 -39.2 -12.2 1.0 13.4 60 66 A N H 3< S+ 0 0 65 -4,-2.2 3,-0.3 1,-0.2 4,-0.3 0.774 112.7 47.5 -69.5 -26.5 -13.1 -2.5 12.3 61 67 A L H 3X S+ 0 0 6 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.476 88.1 91.8 -91.3 -4.3 -9.4 -3.4 12.1 62 68 A K T << S+ 0 0 98 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 0.860 77.1 59.4 -59.0 -41.5 -8.7 -1.9 15.5 63 69 A K T 4 S+ 0 0 196 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.946 121.1 23.5 -55.1 -54.6 -9.3 -5.1 17.5 64 70 A E T 4 S+ 0 0 65 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.835 136.9 33.9 -82.6 -33.1 -6.6 -7.1 15.8 65 71 A Y < + 0 0 0 -4,-2.9 36,-0.3 -7,-0.1 -1,-0.2 -0.580 66.4 159.1-123.4 68.4 -4.5 -4.1 14.6 66 72 A P + 0 0 39 0, 0.0 2,-0.8 0, 0.0 36,-0.2 0.698 55.9 81.5 -64.1 -21.3 -4.8 -1.5 17.4 67 73 A N E +D 101 0A 23 34,-1.9 34,-2.5 -3,-0.1 2,-0.3 -0.788 66.2 160.6 -91.3 111.9 -1.6 0.4 16.4 68 74 A Q E -D 100 0A 32 -2,-0.8 32,-0.2 32,-0.2 2,-0.2 -0.965 35.0-138.2-137.6 151.6 -2.6 2.7 13.5 69 75 A T - 0 0 5 30,-2.2 11,-0.1 -2,-0.3 2,-0.1 -0.563 34.6-105.5 -97.0 165.4 -1.4 5.7 11.6 70 76 A A - 0 0 30 9,-0.3 2,-0.5 -2,-0.2 29,-0.3 -0.281 53.1 -80.6 -78.0 175.4 -3.7 8.5 10.4 71 77 A V > - 0 0 4 27,-0.1 3,-2.0 1,-0.1 4,-0.5 -0.714 54.8 -98.5 -86.3 127.5 -4.4 8.6 6.7 72 78 A L T 3 S+ 0 0 0 25,-3.3 23,-2.0 -2,-0.5 24,-0.7 -0.076 101.7 3.6 -41.0 131.1 -1.7 10.2 4.6 73 79 A G T 3 S+ 0 0 4 2,-0.3 -1,-0.3 21,-0.2 18,-0.1 0.542 98.3 103.8 68.0 11.3 -2.5 13.9 3.8 74 80 A R S < S- 0 0 60 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.751 92.7 -5.2 -92.9 -26.8 -5.7 14.2 5.8 75 81 A S - 0 0 40 -4,-0.5 -2,-0.3 2,-0.1 -1,-0.2 -0.935 50.1-149.7-155.0 172.5 -4.2 16.2 8.6 76 82 A S + 0 0 64 -2,-0.3 7,-0.1 -3,-0.1 13,-0.0 -0.075 54.0 114.1-146.2 41.2 -0.9 17.5 9.9 77 83 A G S > S- 0 0 37 5,-0.1 3,-1.7 1,-0.0 -2,-0.1 0.002 87.9 -60.1 -95.1-156.8 -1.1 17.6 13.7 78 84 A S T 3 S+ 0 0 30 1,-0.3 -1,-0.0 614,-0.2 615,-0.0 0.540 116.3 85.1 -67.2 -6.8 0.7 15.7 16.5 79 85 A E T 3 S+ 0 0 65 615,-0.1 2,-0.4 2,-0.0 -9,-0.3 0.618 90.7 57.2 -70.3 -10.2 -0.8 12.5 15.2 80 86 A W S < S- 0 0 7 -3,-1.7 29,-0.2 1,-0.1 3,-0.2 -0.976 74.1-150.9-120.2 133.5 2.3 12.5 12.9 81 87 A D S S+ 0 0 57 27,-2.8 2,-0.3 -2,-0.4 28,-0.2 0.826 89.6 6.0 -71.1 -29.4 5.8 12.7 14.3 82 88 A K E -g 109 0B 87 26,-0.9 28,-2.1 -3,-0.1 2,-0.6 -0.981 60.9-155.0-152.8 141.5 6.8 14.5 11.1 83 89 A T E +g 110 0B 53 -2,-0.3 2,-0.2 26,-0.2 28,-0.2 -0.954 31.0 179.6-120.6 105.7 4.9 15.8 8.1 84 90 A L E +g 111 0B 49 26,-3.3 28,-2.3 -2,-0.6 2,-0.1 -0.643 30.8 16.3-108.7 163.9 7.3 16.0 5.1 85 91 A G E S-g 112 0B 49 26,-0.3 2,-1.4 -2,-0.2 28,-0.2 -0.343 110.4 -17.3 82.8-160.4 7.1 17.0 1.5 86 92 A N S S+ 0 0 78 26,-2.0 -1,-0.2 -2,-0.1 38,-0.1 -0.218 76.3 169.9 -80.2 45.3 4.6 19.0 -0.5 87 93 A Y - 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0 0 17 0, 0.0 29,-2.3 0, 0.0 2,-0.7 -0.282 36.1-138.0 -57.2 135.0 3.6 -0.9 18.8 105 111 A I E - H 0 132B 25 27,-0.2 27,-0.3 1,-0.1 3,-0.1 -0.881 17.3-173.1-100.3 113.5 4.5 1.8 16.3 106 112 A A E S+ 0 0 32 25,-2.6 2,-0.3 -2,-0.7 26,-0.2 0.777 70.5 16.8 -76.9 -29.1 7.5 3.8 17.5 107 113 A E E - H 0 131B 31 24,-1.1 24,-1.9 2,-0.0 2,-0.4 -0.992 59.3-165.1-150.0 138.9 7.4 6.5 14.9 108 114 A K E + H 0 130B 59 -2,-0.3 -27,-2.8 22,-0.2 -26,-0.9 -0.985 15.5 171.9-126.8 120.0 4.9 7.7 12.3 109 115 A I E -gH 82 129B 0 20,-2.5 20,-3.3 -2,-0.4 2,-0.4 -0.990 14.8-160.4-132.1 135.5 5.9 9.9 9.4 110 116 A Q E -gH 83 128B 0 -28,-2.1 -26,-3.3 -2,-0.4 2,-0.4 -0.917 7.8-170.6-114.3 143.1 3.9 11.1 6.4 111 117 A Y E -gH 84 127B 42 16,-2.7 16,-2.8 -2,-0.4 2,-0.5 -0.993 10.1-151.5-136.6 125.6 5.6 12.4 3.2 112 118 A V E -gH 85 126B 0 -28,-2.3 -26,-2.0 -2,-0.4 14,-0.3 -0.866 28.4-112.5-101.7 127.2 3.8 14.1 0.2 113 119 A F - 0 0 7 12,-2.4 12,-0.1 -2,-0.5 52,-0.1 -0.151 13.1-133.2 -56.1 146.2 5.4 13.7 -3.2 114 120 A A S S+ 0 0 41 50,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.841 81.3 8.8 -69.9 -34.4 6.8 16.8 -4.9 115 121 A K + 0 0 146 46,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.885 52.3 163.9-144.3 174.1 5.1 16.0 -8.2 116 122 A G - 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