==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-FEB-08 3C6M . COMPND 2 MOLECULE: SPERMINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.MIN,H.WU,H.ZENG,P.LOPPNAU,J.WEIGELT,M.SUNDSTROM, . 1247 19 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 888 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 280 22.5 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 . 16 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 117 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 259 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 4 0 3 4 1 0 7 5 2 4 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 14 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 . 10 9 0 4 2 11 9 4 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 6 0 1 1 4 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 4 A S 0 0 27 0, 0.0 96,-2.8 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 -71.1 69.1 -12.7 2.7 2 5 A R E -A 96 0A 91 68,-1.5 2,-0.6 94,-0.2 68,-0.2 -0.706 360.0-170.0 -84.6 115.8 68.5 -14.0 6.3 3 6 A H E -A 95 0A 6 92,-2.3 92,-1.8 -2,-0.7 66,-0.2 -0.915 2.6-168.3-115.5 103.8 67.8 -11.0 8.5 4 7 A S E -B 68 0B 5 64,-2.8 64,-1.9 -2,-0.6 2,-0.3 -0.599 1.2-160.8 -95.6 154.7 67.8 -11.6 12.3 5 8 A T E -B 67 0B 21 87,-0.6 2,-0.4 -2,-0.2 62,-0.2 -0.989 12.1-176.2-138.5 142.7 66.6 -9.3 15.0 6 9 A L E -B 66 0B 0 60,-2.0 60,-2.5 -2,-0.3 2,-0.5 -0.972 11.1-165.6-142.6 125.7 67.0 -9.0 18.8 7 10 A D E -BC 65 90B 7 83,-2.8 83,-2.5 -2,-0.4 2,-0.5 -0.942 6.7-170.9-120.5 125.2 65.3 -6.4 20.9 8 11 A F E -B 64 0B 8 56,-3.1 56,-2.6 -2,-0.5 2,-0.5 -0.965 2.3-170.7-114.9 121.9 66.0 -5.2 24.4 9 12 A M E +B 63 0B 81 -2,-0.5 54,-0.2 54,-0.2 2,-0.2 -0.938 21.8 163.4-107.7 132.1 63.6 -3.0 26.2 10 13 A L 0 0 70 52,-2.6 77,-0.0 -2,-0.5 51,-0.0 -0.616 360.0 360.0-135.5-171.1 64.9 -1.6 29.5 11 14 A G 0 0 110 -2,-0.2 -1,-0.2 52,-0.0 76,-0.0 0.247 360.0 360.0-106.0 360.0 64.4 1.0 32.2 12 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 13 18 A D > 0 0 150 0, 0.0 4,-1.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 128.4 73.3 3.4 30.5 14 19 A G H > + 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 360.0 48.0 -63.1 -54.5 74.2 3.4 26.7 15 20 A E H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.784 111.0 54.2 -60.1 -29.7 78.0 3.6 26.7 16 21 A T H > S+ 0 0 79 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.906 109.1 47.2 -72.8 -43.3 78.2 0.8 29.2 17 22 A I H X S+ 0 0 17 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.947 112.1 49.3 -61.0 -52.3 76.0 -1.5 27.1 18 23 A L H X S+ 0 0 13 -4,-2.5 4,-2.7 1,-0.2 3,-0.5 0.947 113.1 47.3 -52.8 -53.5 78.0 -0.8 23.9 19 24 A K H < S+ 0 0 139 -4,-2.1 4,-0.4 1,-0.3 -1,-0.2 0.879 111.7 50.9 -54.7 -45.0 81.3 -1.5 25.8 20 25 A G H < S+ 0 0 18 -4,-2.4 3,-0.3 1,-0.2 4,-0.3 0.835 117.0 41.1 -60.4 -32.9 79.9 -4.7 27.2 21 26 A L H >X S+ 0 0 1 -4,-2.1 3,-1.2 -3,-0.5 4,-0.7 0.841 92.6 75.4 -90.4 -37.2 78.8 -5.9 23.8 22 27 A Q H 3X S+ 0 0 65 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.592 85.0 72.0 -59.5 -12.3 81.6 -5.0 21.4 23 28 A S H 3> S+ 0 0 43 -4,-0.4 4,-2.7 -3,-0.3 -1,-0.3 0.948 92.9 52.1 -63.3 -51.8 83.7 -7.9 22.7 24 29 A I H <4 S+ 0 0 9 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.852 113.3 44.2 -55.3 -44.3 81.5 -10.7 21.1 25 30 A F H ><>S+ 0 0 0 -4,-0.7 3,-1.9 2,-0.2 5,-1.8 0.931 113.7 48.4 -68.8 -50.0 81.8 -9.1 17.7 26 31 A Q H ><5S+ 0 0 147 -4,-1.9 3,-1.6 1,-0.3 -2,-0.2 0.866 104.5 62.7 -54.6 -37.7 85.5 -8.4 17.9 27 32 A E T 3<5S+ 0 0 142 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.581 103.1 50.4 -64.6 -9.9 85.8 -12.0 19.1 28 33 A Q T < 5S- 0 0 98 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.442 120.4-106.9-105.9 -6.1 84.5 -12.9 15.6 29 34 A G T < 5 + 0 0 63 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.2 0.489 67.6 152.8 88.2 6.9 87.0 -10.8 13.6 30 35 A M < - 0 0 10 -5,-1.8 -1,-0.3 18,-0.1 18,-0.2 -0.539 40.7-133.4 -75.6 126.3 84.3 -8.2 12.8 31 36 A A E -D 47 0B 58 16,-1.6 16,-1.7 -2,-0.3 2,-0.4 -0.420 24.0-144.7 -74.0 156.9 85.5 -4.7 12.1 32 37 A E E +D 46 0B 80 14,-0.2 2,-0.4 -2,-0.1 14,-0.2 -0.978 23.9 179.0-132.4 137.0 83.7 -1.9 13.8 33 38 A S E -D 45 0B 60 12,-1.6 12,-2.7 -2,-0.4 2,-0.4 -0.984 18.3-156.7-124.3 143.0 82.7 1.7 13.1 34 39 A V E -D 44 0B 57 -2,-0.4 2,-0.6 10,-0.2 10,-0.2 -0.969 6.8-156.5-120.5 135.5 80.7 3.6 15.6 35 40 A H E -D 43 0B 63 8,-2.8 8,-1.3 -2,-0.4 2,-0.4 -0.936 15.7-160.6-110.7 112.6 78.4 6.6 15.0 36 41 A T E -D 42 0B 96 -2,-0.6 2,-0.3 6,-0.2 6,-0.2 -0.730 4.0-164.4 -97.2 137.9 77.9 8.8 18.1 37 42 A W E >> -D 41 0B 33 4,-1.8 2,-0.7 -2,-0.4 3,-0.6 -0.898 29.2-113.3-115.3 147.4 75.1 11.3 18.5 38 43 A Q T 34 S- 0 0 71 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.762 103.1 -18.3 -75.4 115.5 74.6 14.1 21.0 39 44 A D T 34 S+ 0 0 156 -2,-0.7 -1,-0.3 1,-0.1 -3,-0.0 0.848 123.3 89.0 47.1 46.1 71.7 12.8 23.0 40 45 A H T <4 S- 0 0 69 -3,-0.6 2,-0.2 1,-0.3 -2,-0.1 0.307 85.3-129.0-140.5 -1.1 70.6 10.2 20.4 41 46 A G E < -D 37 0B 6 -4,-0.5 -4,-1.8 18,-0.2 2,-0.3 -0.553 37.1 -48.9 89.3-149.8 72.6 7.2 21.5 42 47 A Y E -DE 36 58B 53 16,-2.0 16,-2.5 -2,-0.2 2,-0.4 -0.864 24.1-157.2-132.0 155.9 74.9 5.0 19.3 43 48 A L E -DE 35 57B 2 -8,-1.3 -8,-2.8 -2,-0.3 2,-0.5 -0.943 16.0-173.6-130.7 114.0 75.2 3.0 16.1 44 49 A A E -DE 34 56B 0 12,-2.6 12,-2.5 -2,-0.4 2,-0.5 -0.904 3.6-165.9-106.1 133.0 77.7 0.3 15.8 45 50 A T E -DE 33 55B 12 -12,-2.7 -12,-1.6 -2,-0.5 2,-0.4 -0.978 3.5-168.3-120.4 127.6 78.3 -1.5 12.5 46 51 A Y E -DE 32 54B 2 8,-1.9 8,-1.7 -2,-0.5 2,-0.4 -0.938 3.2-161.4-119.6 134.4 80.3 -4.8 12.4 47 52 A T E -DE 31 53B 12 -16,-1.7 -16,-1.6 -2,-0.4 2,-0.4 -0.924 6.2-164.6-123.0 141.3 81.6 -6.5 9.2 48 53 A N > - 0 0 36 4,-2.2 3,-2.1 -2,-0.4 -18,-0.1 -0.950 27.1-130.1-121.7 140.2 82.7 -10.0 8.5 49 54 A K T 3 S+ 0 0 187 -2,-0.4 328,-0.1 1,-0.3 -1,-0.1 0.717 104.5 72.6 -66.3 -19.4 84.7 -10.9 5.4 50 55 A N T 3 S- 0 0 84 1,-0.1 -1,-0.3 2,-0.1 21,-0.2 0.499 122.6-101.5 -69.7 -7.5 82.2 -13.8 4.7 51 56 A G S < S+ 0 0 0 -3,-2.1 -2,-0.1 1,-0.4 2,-0.1 0.256 83.4 121.0 107.4 -10.0 79.8 -11.0 3.7 52 57 A S - 0 0 17 18,-0.1 -4,-2.2 16,-0.0 18,-0.4 -0.412 36.1-175.9 -82.1 160.7 77.6 -10.7 6.8 53 58 A F E -EF 47 69B 2 16,-3.0 16,-1.8 -6,-0.2 2,-0.4 -0.959 13.0-143.3-149.3 167.0 77.1 -7.6 9.0 54 59 A A E -EF 46 68B 0 -8,-1.7 -8,-1.9 -2,-0.3 2,-0.5 -0.998 2.2-153.0-138.6 138.4 75.4 -6.4 12.2 55 60 A N E -EF 45 67B 6 12,-1.9 12,-2.5 -2,-0.4 2,-0.6 -0.960 9.3-171.8-108.3 126.3 73.7 -3.2 13.3 56 61 A L E -EF 44 66B 2 -12,-2.5 -12,-2.6 -2,-0.5 2,-0.5 -0.921 8.2-175.2-119.7 101.2 73.7 -2.4 17.0 57 62 A R E -EF 43 65B 2 8,-2.9 8,-2.7 -2,-0.6 2,-0.5 -0.861 3.4-169.6-101.1 128.0 71.5 0.6 17.7 58 63 A I E -EF 42 64B 2 -16,-2.5 -16,-2.0 -2,-0.5 6,-0.2 -0.955 4.7-160.9-124.0 110.9 71.4 2.0 21.2 59 64 A Y E >> - F 0 63B 24 4,-3.2 3,-1.1 -2,-0.5 4,-0.9 -0.663 26.9-122.5 -84.6 148.3 68.8 4.5 22.2 60 65 A P T 34 S+ 0 0 77 0, 0.0 -46,-0.1 0, 0.0 -19,-0.1 0.449 105.9 61.3 -74.0 -1.0 69.4 6.6 25.4 61 66 A H T 34 S- 0 0 133 2,-0.1 -51,-0.2 -48,-0.1 -2,-0.0 0.009 128.0 -81.2-113.3 29.0 66.2 5.5 27.0 62 67 A G T <4 S+ 0 0 18 -3,-1.1 -52,-2.6 1,-0.2 2,-0.4 0.971 83.9 134.0 71.0 55.3 67.0 1.8 27.2 63 68 A L E < -BF 9 59B 16 -4,-0.9 -4,-3.2 -54,-0.2 2,-0.5 -0.946 28.2-178.0-129.5 115.4 66.1 0.5 23.8 64 69 A V E -BF 8 58B 2 -56,-2.6 -56,-3.1 -2,-0.4 2,-0.5 -0.963 4.1-175.2-116.3 115.0 68.8 -1.8 22.3 65 70 A L E -BF 7 57B 0 -8,-2.7 -8,-2.9 -2,-0.5 2,-0.4 -0.936 2.8-168.9-118.2 130.4 68.1 -3.1 18.8 66 71 A L E -BF 6 56B 2 -60,-2.5 -60,-2.0 -2,-0.5 2,-0.3 -0.956 3.4-174.8-122.6 136.2 70.2 -5.5 17.0 67 72 A D E -BF 5 55B 4 -12,-2.5 -12,-1.9 -2,-0.4 2,-0.3 -0.963 4.1-179.9-125.1 146.8 70.2 -6.6 13.3 68 73 A L E -BF 4 54B 17 -64,-1.9 -64,-2.8 -2,-0.3 2,-0.2 -0.994 4.1-176.8-146.4 142.0 72.1 -9.3 11.4 69 74 A Q E + F 0 53B 1 -16,-1.8 -16,-3.0 -2,-0.3 2,-0.2 -0.793 10.3 158.7-169.2 142.9 72.5 -10.7 7.9 70 75 A S 0 0 41 -18,-0.4 -68,-1.5 -68,-0.2 -19,-0.1 -0.371 360.0 360.0 105.5 103.5 74.1 -13.1 6.5 71 76 A Y 0 0 115 -70,-0.2 -68,-0.1 -21,-0.2 -20,-0.1 0.787 360.0 360.0 -65.8 360.0 73.6 -15.1 3.3 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 87 A D > 0 0 93 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -74.6 72.7 -17.0 15.9 74 88 A S H > + 0 0 81 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.836 360.0 57.0 -61.8 -34.6 75.3 -18.1 18.4 75 89 A I H > S+ 0 0 30 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.956 106.7 45.6 -59.1 -50.6 76.0 -14.4 18.2 76 90 A L H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.891 113.8 49.0 -62.5 -43.9 72.4 -13.6 19.2 77 91 A N H X S+ 0 0 78 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.943 109.8 52.2 -55.8 -49.5 72.6 -16.2 22.0 78 92 A K H X S+ 0 0 97 -4,-3.3 4,-1.3 1,-0.2 -2,-0.2 0.732 108.6 51.9 -63.0 -24.5 75.9 -14.7 23.2 79 93 A V H X S+ 0 0 2 -4,-1.4 4,-2.8 -3,-0.2 -1,-0.2 0.946 106.1 51.4 -74.6 -53.1 74.2 -11.3 23.3 80 94 A E H X S+ 0 0 56 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.821 109.1 53.2 -51.6 -38.2 71.3 -12.3 25.4 81 95 A E H X S+ 0 0 107 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.931 112.1 42.6 -64.4 -49.3 73.7 -13.9 28.0 82 96 A R H X S+ 0 0 68 -4,-1.3 4,-1.5 1,-0.2 3,-0.5 0.884 109.0 59.7 -67.1 -39.1 75.8 -10.8 28.4 83 97 A M H < S+ 0 0 13 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.830 97.1 59.8 -60.4 -36.4 72.6 -8.5 28.5 84 98 A K H >< S+ 0 0 170 -4,-1.3 3,-0.9 -3,-0.2 -1,-0.2 0.893 106.0 48.8 -56.2 -43.4 71.3 -10.4 31.6 85 99 A E H 3< S+ 0 0 133 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.891 102.8 63.5 -61.2 -40.3 74.5 -9.4 33.5 86 100 A L T 3< 0 0 74 -4,-1.5 -1,-0.2 -69,-0.0 -2,-0.2 0.374 360.0 360.0 -81.1 3.4 74.2 -5.7 32.4 87 101 A S < 0 0 131 -3,-0.9 -77,-0.0 -4,-0.3 0, 0.0 -0.918 360.0 360.0-120.7 360.0 70.9 -4.9 34.2 88 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 89 108 A V 0 0 103 0, 0.0 2,-0.5 0, 0.0 -81,-0.2 0.000 360.0 360.0 360.0 130.3 63.5 -9.3 25.2 90 109 A K B +C 7 0B 34 -83,-2.5 -83,-2.8 2,-0.0 2,-0.4 -0.978 360.0 170.4-126.7 117.8 62.1 -9.8 21.7 91 110 A R - 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